# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-13T13:26:49+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2021 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1557244","12.323","0.003","32.145","0.006","12.931","0.003","90","","93.58","0.03","90","","5112","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C90 H126 Mn3 N12 O27 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71092","Synchrotron","","0.0671","0.0602","","","0.1927","0.1983","","","","","","1.09","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557245","12.313","0.003","31.877","0.006","12.954","0.003","90","","92.93","0.03","90","","5078","2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C84 H84 Cl18 Mn3 N12 O12 -","- C77 H70 Cl4 Mn3 N12 O12 -","- C154 H140 Cl8 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.7108","Synchrotron","","0.141","0.101","","","0.2925","0.3127","","","","","","1.09","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557246","12.276","0.003","12.869","0.003","31.586","0.006","93.98","0.03","97.43","0.03","92.02","0.03","4931","2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C105 H103.5 Mn3 N12 O12 -","- C105 H103.5 Mn3 N12 O12 -","- C210 H207 Mn6 N24 O24 -","2","1","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71076","Synchrotron","","0.1959","0.148","","","0.443","0.4652","","","","","","1.663","","","","has coordinates","261710","2021-02-04","23:22:49",""
"1557247","12.457","0.003","13.242","0.003","33.037","0.007","86.69","0.03","86.08","0.03","85.22","0.03","5411","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H138 Mn3 N12 O21 -","- C87 H90 Mn3 N12 O15 -","- C174 H180 Mn6 N24 O30 -","2","1","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71076","Synchrotron","","0.2796","0.2041","","","0.4668","0.5044","","","","","","1.128","","","","has coordinates","261710","2021-02-04","23:22:49",""
"1557248","12.364","0.003","12.947","0.003","30.366","0.006","99.4","0.03","97.35","0.03","91.57","0.03","4750.4","1.9","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C97 H126 Mn3 N12 O18 -","- C83 H86 Mn3 N12 O14 -","- C166 H172 Mn6 N24 O28 -","2","1","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.7107","Synchrotron","","0.25","0.2135","","","0.5779","0.5982","","","","","","2.437","","","","has coordinates","261710","2021-02-04","23:22:49",""
"1557249","12.274","0.003","32.826","0.007","12.93","0.003","90","","95.51","0.03","90","","5186","2","100","2","100.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C93 H120 Mn3 N12 O21 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71076","Synchrotron","","0.0522","0.048","","","0.1433","0.1467","","","","","","1.073","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557250","12.307","0.003","31.637","0.006","13.006","0.003","90","","92.1","0.03","90","","5061","2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C97.5 H111 Mn3 N12 O19.5 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","0.5","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.7108","Synchrotron","","0.1086","0.0726","","","0.2023","0.2198","","","","","","1.044","","","","has coordinates,has disorder","261710","2021-02-04","23:22:49",""
"1557251","12.339","0.003","33.798","0.007","25.762","0.005","90","","96.1","0.03","90","","10683","4","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C111 H106 Cl2 Mn3 N12 O16 Rh2 -","- C111 H106 Cl2 Mn3 N12 O16 Rh2 -","- C444 H424 Cl8 Mn12 N48 O64 Rh8 -","4","1","","Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J.","MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations.","Faraday discussions","2021","225","0","84","99","10.1039/d0fd00012d","","","0.71092","Synchrotron","","0.1554","0.1033","","","0.2994","0.3403","","","","","","1.033","","","","has coordinates","261710","2021-02-04","23:22:49",""
"1557599","10.51","0.002","12.234","0.002","4.666","0.0009","90","","90","","90","","599.95","0.19","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","BSA@ZIF-C","","","- C9 H10 N4 O3 Zn2 -","- C9 H10 N4 O3 Zn2 -","- C18 H20 N8 O6 Zn4 -","2","0.5","","Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong","Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks?","Faraday discussions","2021","225","","118","132","10.1039/d0fd00015a","","","0.0251","electron","","0.2246","0.1559","","","0.3731","0.4535","","","","","","1.272","","","","has coordinates","261706","2021-02-04","23:21:40",""
"1557771","14.2257","0.0003","50.2552","0.0009","19.5481","0.0004","90","","91.9145","0.0007","90","","13967.4","0.5","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C94 H100 Cl12 N12 O3 Pd6 -","- C94 H100 Cl12 N12 O3 Pd6 -","- C376 H400 Cl48 N48 O12 Pd24 -","4","2","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.1503","0.087","","","0.232","0.2749","","","","","","1.021","","","","has coordinates","261708","2021-02-04","23:22:13",""
"1557772","19.5269","0.0016","51.758","0.004","14.2813","0.0012","90","","91.0232","0.001","90","","14431","2","94","","94","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C95.93 H98.19 Cl12 N15 O2.74 Pd6 -","- C96.016 H98.264 Cl12 N15 O2.752 Pd6 -","- C384.064 H393.056 Cl48 N60 O11.008 Pd24 -","4","1","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.1962","0.1187","","","0.322","0.3931","","","","","","1.183","","","","has coordinates,has disorder","261708","2021-02-04","23:22:13",""
"1557773","14.1814","0.0003","52.5455","0.001","19.8435","0.0004","90","","91.1321","0.0007","90","","14783.9","0.5","95","","95","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C86.9 H86.8 Cl12 N12 O10.13 Pd6 -","- C86.903 H86.8035 Cl12 N12 O10.133 Pd6 -","- C347.612 H347.214 Cl48 N48 O40.532 Pd24 -","4","2","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.0935","0.0698","","","0.2015","0.2227","","","","","","1.004","","","","has coordinates,has disorder","261708","2021-02-04","23:22:13",""
"1557774","14.338","0.0003","52.953","0.001","19.7623","0.0004","90","","90.789","0.001","90","","15002.9","0.5","98","","98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6 -","- C98.408 H97.658 Cl12.551 N14.25 O2.949 Pd6 -","- C393.632 H390.632 Cl50.204 N57 O11.796 Pd24 -","4","2","","Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko","Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions.","Faraday discussions","2021","225","","197","209","10.1039/d0fd00019a","","","0.71075","MoKα","","0.1188","0.0787","","","0.2253","0.2658","","","","","","0.998","","","","has coordinates,has disorder","261708","2021-02-04","23:22:13",""
"1557791","5.3046","0.0001","21.6781","0.0003","15.9776","0.0002","90","","94.542","0.001","90","","1831.55","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 N4 O Pt -","- C20 H16 Cl2 N4 O Pt -","- C80 H64 Cl8 N16 O4 Pt4 -","4","1","","Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako","Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity.","Faraday discussions","2021","225","","184","196","10.1039/d0fd00001a","","x-ray","1.54184","CuKα","","0.0451","0.0432","","","0.1223","0.1242","","","","","","1.035","","","","has coordinates","261711","2021-02-04","23:22:58",""
"1557792","8.0185","0.0001","10.5928","0.0002","13.0124","0.0003","69.402","0.002","86.254","0.002","72.413","0.002","985.2","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl2 N4 O Pt -","- C21 H18 Cl2 N4 O Pt -","- C42 H36 Cl4 N8 O2 Pt2 -","2","1","","Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako","Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity.","Faraday discussions","2021","225","","184","196","10.1039/d0fd00001a","","x-ray","1.54184","CuKα","","0.0267","0.0261","","","0.0801","0.0811","","","","","","0.74","","","","has coordinates","261711","2021-02-04","23:22:58",""
"1557793","13.5911","0.0004","14.4864","0.0005","14.6981","0.0004","99.605","0.002","101.408","0.002","117.546","0.003","2401.45","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Cl6.5 N8 O6 Pt2 -","- C40 H34 Cl6.5 N8 O6 Pt2 -","- C80 H68 Cl13 N16 O12 Pt4 -","2","1","","Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako","Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity.","Faraday discussions","2021","225","","184","196","10.1039/d0fd00001a","","","1.54184","CuKα","","0.0546","0.0467","","","0.1302","0.1356","","","","","","1.044","","","","has coordinates","261711","2021-02-04","23:22:58",""
"1558875","32.7998","0.001","9.7204","0.0004","18.3042","0.0006","90","","96.453","0.003","90","","5798.9","0.4","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44.2 H35.32 N2.6 O16.6 Zn3 -","- C41.6 H27.92 N0.8 O16 Zn3 -","- C166.4 H111.68 N3.2 O64 Zn12 -","4","0.5","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","Inclusion of viologen cations leads to switchable metal-organic frameworks.","Faraday discussions","2021","225","","414","430","10.1039/c9fd00137a","","x-ray","1.54184","CuKα","","0.08","0.0655","","","0.1912","0.2023","","","","","","1.055","","","","has coordinates,has disorder","261709","2021-02-04","23:22:29",""
"1558876","32.6406","0.0006","9.63384","0.00016","18.4404","0.0004","90","","102.534","0.002","90","","5660.47","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49.2 H46.78 N3.4 O18.7 Zn3 -","- C48.8 H42 N3.2 O18.1 Zn3 -","- C195.2 H168 N12.8 O72.4 Zn12 -","4","0.5","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","Inclusion of viologen cations leads to switchable metal-organic frameworks.","Faraday discussions","2021","225","","414","430","10.1039/c9fd00137a","","x-ray","1.54184","CuKα","","0.0698","0.0568","","","0.1495","0.1597","","","","","","1.031","","","","has coordinates,has disorder","261709","2021-02-04","23:22:29",""
"1558877","36.4926","0.0013","14.6058","0.0004","45.4204","0.0013","90","","90","","90","","24209.2","1.3","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C212 H260 N20 O76 Zn8 -","- C212 H220 N20 O56 Zn8 -","- C848 H880 N80 O224 Zn32 -","4","1","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","Inclusion of viologen cations leads to switchable metal-organic frameworks.","Faraday discussions","2021","225","","414","430","10.1039/c9fd00137a","","x-ray","1.54184","CuKα","","0.098","0.0788","","","0.2031","0.2252","","","","","","1.047","","","","has coordinates,has disorder","261709","2021-02-04","23:22:29",""
"1558878","9.6981","0.0002","16.1078","0.0005","11.5458","0.0004","90","","90.923","0.003","90","","1803.39","0.09","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O14 Zn2 -","- C36 H34 N4 O14 Zn2 -","- C72 H68 N8 O28 Zn4 -","2","0.5","","Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D.","Inclusion of viologen cations leads to switchable metal-organic frameworks.","Faraday discussions","2021","225","","414","430","10.1039/c9fd00137a","","","1.54184","CuKα","","0.0559","0.043","","","0.1085","0.1157","","","","","","1.045","","","","has coordinates,has disorder","261709","2021-02-04","23:22:29",""
"1559556","13.346","0.002","17.309","0.003","23.753","0.004","86.026","0.002","89.28","0.002","76.624","0.002","5325.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H156 O28 Si14 Zr2 -","- C68 H156 O28 Si14 Zr2 -","- C136 H312 O56 Si28 Zr4 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.063","0.0457","","","0.1013","0.1101","","","","","","1.114","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559557","20.0054","0.0014","24.0516","0.0017","27.5739","0.0019","90","","90","","90","","13267.5","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 O28 Si14 Zr2 -","- C96 H184 O28 Si14 Zr2 -","- C384 H736 O112 Si56 Zr8 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0536","0.0345","","","0.0775","0.0878","","","","","","1.022","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559558","18.563","0.004","22.017","0.004","26.445","0.005","90","","90","","90","","10808","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H156 Hf2 O28 Si14 -","- C68 H156 Hf2 O28 Si14 -","- C272 H624 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.1111","0.0503","","","0.107","0.1295","","","","","","0.999","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559559","20.061","0.004","24.064","0.005","27.568","0.005","90","","90","","90","","13308","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 Hf2 O28 Si14 -","- C96 H184 Hf2 O28 Si14 -","- C384 H736 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0341","0.0243","","","0.0558","0.0617","","","","","","1.066","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559560","13.4214","0.0003","14.2596","0.0005","25.2549","0.0007","85.709","0.003","78.946","0.002","69.251","0.003","4435.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H109 N9 Na2 O11 V2 -","- C86 H109 N9 Na2 O11 V2 -","- C172 H218 N18 Na4 O22 V4 -","2","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1354","0.0988","","","0.216","0.2326","","","","","","1.127","","","","has coordinates,has disorder","261518","2021-02-04","22:23:49",""
"1559561","12.0966","0.0002","12.3373","0.0002","17.8971","0.0003","90.8728","0.0008","107.997","0.0007","99.2458","0.0008","2501.28","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.6939","synchrotron","","0.0853","0.0589","","","0.1637","0.1852","","","","","","1.033","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559562","19.7039","0.0009","20.0862","0.0007","20.6921","0.001","90","","113.114","0.005","90","","7532","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H90 Cl2 N2 O8 V2 -","- C80 H90 Cl2 N2 O8 V2 -","- C320 H360 Cl8 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54184","CuKα","","0.1995","0.085","","","0.1975","0.2471","","","","","","1.016","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559563","14.0354","0.0001","17.3396","0.0001","20.1906","0.0001","71.168","0.001","84.459","0.001","66.456","0.001","4260.59","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.053","0.0494","","","0.1442","0.1501","","","","","","1.044","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559564","12.4983","0.0004","13.6976","0.0002","14.1554","0.0003","68.166","0.002","79.128","0.002","75.546","0.002","2165.92","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.0421","0.0407","","","0.1308","0.1319","","","","","","1.116","","","","has coordinates","261518","2021-02-04","22:23:50",""
"1559565","20.0005","0.0013","19.9315","0.0008","22.023","0.002","90","","116.08","0.01","90","","7885.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H90 F6 N2 O8 V2 -","- C82 H90 F6 N2 O8 V2 -","- C328 H360 F24 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71075","MoKα","","0.1928","0.0964","","","0.2235","0.2734","","","","","","1.023","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559566","19.7899","0.0003","20.6775","0.0003","22.7696","0.0005","69.271","0.002","76.567","0.002","78.627","0.001","8407.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1417","0.0881","","","0.223","0.2564","","","","","","1.026","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559567","11.8773","0.0006","12.8721","0.0005","14.5308","0.0006","97.115","0.003","92.063","0.004","98.641","0.004","2176.04","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl2 Co F5 N3 -","- C49 H38 Cl2 Co F5 N3 -","- C98 H76 Cl4 Co2 F10 N6 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","0.71073","MoKα","","0.1013","0.0515","","","0.1174","0.1438","","","","","","1.021","","","","has coordinates","261519","2021-02-04","22:24:06",""
"1559568","20.2887","0.0002","22.5854","0.0002","30.0093","0.0002","94.052","0.001","105.348","0.001","102.898","0.001","12802.4","0.2","169.99","0.14","169.99","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C260 H220 Cl10 Co5 F25 N15 -","- C260 H220 Cl10 Co5 F25 N15 -","- C520 H440 Cl20 Co10 F50 N30 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","1.54184","CuKα","","0.1415","0.0862","","","0.2048","0.2442","","","","","","1.037","","","","has coordinates,has disorder","261519","2021-02-04","22:24:06",""
"1559569","12.4888","0.0001","16.9952","0.0002","19.3546","0.0002","69.171","0.001","75.05","0.001","81.715","0.001","3703.33","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl2 F24 N3 Pd -","- C75 H60 B Cl2 F24 N3 Pd -","- C150 H120 B2 Cl4 F48 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0508","0.0501","","","0.1295","0.1302","","","","","","1.025","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559570","12.8172","0.0002","18.0795","0.0003","16.7528","0.0003","90","","96.977","0.001","90","","3853.36","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br2 Cl N2 Pd -","- C41 H45 Br2 Cl N2 Pd -","- C164 H180 Br8 Cl4 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0594","0.0532","","","0.1458","0.1538","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559571","11.7251","0.0004","18.4561","0.0006","19.821","0.0006","90","","101.805","0.003","90","","4198.5","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Cl3 N2 O2 Pd -","- C44 H53 Cl3 N2 O2 Pd -","- C176 H212 Cl12 N8 O8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.076","0.0631","","","0.1557","0.1636","","","","","","1.117","","","","has coordinates","261517","2021-02-04","22:23:27",""
"1559572","11.0716","0.0004","16.373","0.0006","21.6279","0.0007","89.42","0.003","76.403","0.003","88.652","0.003","3809.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H45 Cl3 N2 Pd -","- C41 H45 Cl3 N2 Pd -","- C164 H180 Cl12 N8 Pd4 -","4","2","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.08","0.0688","","","0.1742","0.182","","","","","","1.108","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559573","13.006","0.0004","16.863","0.0005","19.2164","0.0006","98.154","0.002","96.07","0.002","99.498","0.002","4078.6","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H67 B F24 I2 N3 Pd -","- C78 H67 B F24 I2 N3 Pd -","- C156 H134 B2 F48 I4 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0727","0.0635","","","0.1706","0.1843","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559574","14.4315","0.0006","16.2211","0.0006","18.6665","0.0008","109.704","0.004","107.844","0.004","95.369","0.003","3820.3","0.3","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C154.5 H133 B2 Cl F48 N6 O4 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0973","0.0767","","","0.2011","0.2201","","","","","","1.074","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559575","10.0308","0.0002","19.7307","0.0004","20.2309","0.0004","90","","101.055","0.002","90","","3929.69","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Cl I2 N2 Pd -","- C41 H45 Cl I2 N2 Pd -","- C164 H180 Cl4 I8 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.0638","0.0447","","","0.0927","0.1004","","","","","","1.056","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559614","13.8855","0.0006","17.9904","0.0007","19.186","0.0007","77.172","0.001","78.221","0.001","69.1","0.001","4324.4","0.3","106","2","106","2","","","","","","","","5","P -1","-P 1","2","WBDT","","","- C67.55 H47.1 Cl3.09 N6 S4 -","- C67.5473 H47.0947 Cl3.09467 N6 S4 -","- C202.642 H141.284 Cl9.284 N18 S12 -","3","1.5","","Rotter, Julian M.; Guntermann, Roman; Auth, Michael; Mähringer, Andre; Sperlich, Andreas; Dyakonov, Vladimir; Medina, Dana D.; Bein, Thomas","Highly conducting Wurster-type twisted covalent organic frameworks","Chemical Science","2021","","","","","10.1039/D0SC03909H","","","0.71073","MoKα","","0.1227","0.0811","","","0.2044","0.2308","","","","","","1.023","","","","has coordinates,has disorder","259334","2020-11-30","02:01:05",""
"1559658","17.049","0.0003","14.1638","0.0002","25.7784","0.0004","90","","103.896","0.0018","90","","6042.76","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H28 N4 -","- C41 H28 N4 -","- C328 H224 N32 -","8","4","","Ni, Fan; Huang, Chih-Wei; Tang, Yukun; Chen, Zhanxiang; Wu, Yaxun; Xia, Shengpeng; Cao, Xiaosong; Hsu, Jung-Hsien; Lee, Wei-Kai; Zheng, Kailu; Huang, Zhongyan; Wu, Chung-Chih; Yang, Chuluo","Integrating molecular rigidity and chirality into thermally activated delayed fluorescence emitters for highly efficient sky-blue and orange circularly polarized electroluminescence","Materials Horizons","2021","8","2","547","555","10.1039/D0MH01521K","","x-ray","1.54184","CuKα","","0.0519","0.0418","","","0.0948","0.101","","","","","","1.017","","","","has coordinates","262729","2021-03-05","02:28:17",""
"1559676","13.7702","0.0003","13.7702","0.0003","13.2048","0.0003","90","","90","","120","","2168.42","0.08","195","","195","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","0.71073","MoKα","","0.0946","0.0629","","","0.1522","0.1714","","","","","","1.047","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559677","13.9775","0.0009","13.9775","0.0009","13.0994","0.0005","90","","90","","120","","2216.4","0.2","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1196","0.0661","","","0.1688","0.2159","","","","","","1.031","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559678","14.8922","0.0007","14.8922","0.0007","12.7663","0.0006","90","","90","","120","","2452","0.2","100","","100","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","0.71073","MoKα","","0.0643","0.0449","","","0.1174","0.1389","","","","","","1.168","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559679","14.9689","0.0004","14.9689","0.0004","12.6934","0.0004","90","","90","","120","","2463.14","0.12","170","","170","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81-DMF","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0413","0.0338","","","0.1004","0.1096","","","","","","1.062","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559680","15.0465","0.0005","15.0465","0.0005","12.6619","0.0004","90","","90","","120","","2482.56","0.14","195","","195","","","","","","","","","5","P 32 2 1","P 32 2""","154","SHF-81-DMF","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0374","0.0345","","","0.0971","0.1054","","","","","","1.176","","","","has coordinates,has disorder","261707","2021-02-04","23:21:54",""
"1559681","14.0982","0.001","14.0982","0.001","13.0538","0.0006","90","","90","","120","","2247","0.2","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1373","0.0748","","","0.1914","0.2451","","","","","","1.031","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559682","13.6191","0.0013","13.6191","0.0013","13.2288","0.0013","90","","90","","120","","2124.9","0.4","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0487","0.0484","","","0.1377","0.1381","","","","","","1.165","","","","has coordinates,has disorder","261707","2021-02-04","23:21:54",""
"1559683","14.366","0.003","14.366","0.003","12.8607","0.001","90","","90","","120","","2298.6","0.7","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1752","0.1232","","","0.3099","0.3602","","","","","","1.198","","","","has coordinates,has disorder","261707","2021-02-04","23:21:54",""
"1559684","14.218","0.0012","14.218","0.0012","13.0014","0.0006","90","","90","","120","","2276.1","0.3","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.162","0.0851","","","0.2157","0.2857","","","","","","1.024","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559685","14.515","0.003","14.515","0.003","12.8247","0.001","90","","90","","120","","2340","0.7","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.1539","0.1069","","","0.2728","0.3258","","","","","","1.102","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559686","13.9484","0.0007","13.9484","0.0007","13.1157","0.0004","90","","90","","120","","2209.89","0.17","298","","298","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81","","","- C20 H22 Cd N4 O12 -","- C20 H22 Cd N4 O12 -","- C60 H66 Cd3 N12 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","x-ray","0.6889","synchrotron","","0.0857","0.0542","","","0.1402","0.1676","","","","","","1.007","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559687","14.8744","0.001","14.8744","0.001","12.7248","0.0009","90","","90","","120","","2438.2","0.3","100","","100","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81-DMF","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0425","0.0335","","","0.095","0.1047","","","","","","1.069","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559688","14.921","0.0005","14.921","0.0005","12.7118","0.0005","90","","90","","120","","2450.94","0.15","140","","140","","","","","","","","","5","P 31 2 1","P 31 2""","152","SHF-81-DMF","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.5","","Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee","Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF.","Faraday discussions","2021","225","","133","151","10.1039/d0fd00089b","","","1.54178","CuKα","","0.0415","0.0336","","","0.0979","0.1063","","","","","","1.075","","","","has coordinates","261707","2021-02-04","23:21:54",""
"1559737","11.767","0.0003","18.7367","0.0004","12.0965","0.0003","90","","117.762","0.004","90","","2359.98","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H60 Fe4 N8 O30 S6 -","- C20 H60 Fe4 N8 O30 S6 -","- C40 H120 Fe8 N16 O60 S12 -","2","0.5","","Hu, Lei; Wang, Qiushi; Zhu, Xiandong; Meng, Tao; Huang, Binbin; Yang, Jindong; Lin, Xiaoming; Tong, Yexiang","Novel Fe<sub>4</sub>-based metal-organic cluster-derived iron oxides/S,N dual-doped carbon hybrids for high-performance lithium storage.","Nanoscale","2021","13","2","716","723","10.1039/d0nr07231a","","","1.54178","CuKα","","0.0619","0.0544","","","0.1446","0.1533","","","","","","1.03","","","","has coordinates","261718","2021-02-04","23:23:38",""
"1559739","18.079","0.0007","30.1771","0.001","14.9963","0.0005","90","","90","","90","","8181.6","0.5","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C96.25 H87.5 Cl0 F0.25 N8.75 O8.75 P0.25 -","- C83 H71 F24 N4 O1.5 P4 -","- C332 H284 F96 N16 O6 P16 -","4","1","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.2408","0.2223","","","0.5377","0.5699","","","","","","2.177","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559740","15.95929","0.00017","28.8471","0.0003","8.98775","0.00009","90","","90","","90","","4137.77","0.07","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C38 H40 F12 N2 O4 P2 -","- C38 H40 F12 N2 O4 P2 -","- C152 H160 F48 N8 O16 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0517","0.0484","","","0.1339","0.1373","","","","","","1.056","","","","has coordinates,has disorder","262730","2021-03-05","02:28:29",""
"1559741","37.188","0.002","9.2614","0.0005","10.1379","0.0005","90","","94.648","0.004","90","","3480.1","0.3","293","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 F12 N2 P2 -","- C38 H32 F12 N2 P2 -","- C152 H128 F48 N8 P8 -","4","0.5","","Wang, Xiaoxuan; Qi, Chunxuan; Fu, Zhiyuan; Zhang, Haoke; Wang, Jianguo; Feng, Hai-Tao; Wang, Kai; Zou, Bo; Lam, Jacky W. Y.; Tang, Ben Zhong","A synergy between the push‒pull electronic effect and twisted conformation for high-contrast mechanochromic AIEgens","Materials Horizons","2021","8","2","630","638","10.1039/D0MH01251C","","","1.54184","CuKα","","0.0401","0.0336","","","0.0825","0.0879","","","","","","1.045","","","","has coordinates","262730","2021-03-05","02:28:29",""
"1559799","9.9377","0.0008","13.2229","0.001","17.1785","0.0013","71.337","0.001","73.927","0.001","77.882","0.001","2036.7","0.3","184.5","","184.5","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H50 Ca N6 O P Si2 -","- C36 H50 Ca N6 O P Si2 -","- C72 H100 Ca2 N12 O2 P2 Si4 -","2","1","","Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei","Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes","Polymer Chemistry","2021","12","10","1518","1525","10.1039/D0PY01397H","","","0.71073","MoKα","","0.0852","0.0601","","","0.164","0.1875","","","","","","1.026","","","","has coordinates,has disorder","263858","2021-04-05","15:22:07",""
"1559800","11.2638","0.0009","12.9788","0.001","17.8234","0.0014","93.419","0.001","100.831","0.001","95.152","0.001","2541","0.3","184.5","0.2","184.5","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H55 Ca N6 O3 P Si2 -","- C47 H55 Ca N6 O3 P Si2 -","- C94 H110 Ca2 N12 O6 P2 Si4 -","2","1","","Liu, Na; Liu, Doudou; Liu, Bo; Zhang, Hao; Cui, Dongmei","Stereoselective polymerization of rac-lactide catalyzed by zwitterionic calcium complexes","Polymer Chemistry","2021","12","10","1518","1525","10.1039/D0PY01397H","","","0.71073","MoKα","","0.1095","0.0811","","","0.2092","0.2303","","","","","","0.966","","","","has coordinates","263858","2021-04-05","15:22:08",""
"1559801","9.54396","0.0002","18.2455","0.0004","5.3266","0.00012","90","","101.883","0.002","90","","907.67","0.03","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- Al0.17 Ca0.18 F0.08 Fe5.4 H1.92 Mg1.25 O23.92 Si8 -","- Al0.173 Ca0.184 F0.08 Fe5.399 H1.92 Mg1.244 O23.92 Si8 -","- Al0.346 Ca0.368 F0.16 Fe10.798 H3.84 Mg2.488 O47.84 Si16 -","2","0.25","","Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.","Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction","IUCrJ","2021","8","1","76","86","10.1107/S2052252520015079","","x-ray","0.30909","synchrotron","","0.0485","0.045","","","0.157","0.1589","","","","","","1.296","","","","has coordinates","261805","2021-02-05","14:55:01",""
"1559802","9.5343","0.0002","18.221","0.0004","5.3202","0.0002","90","","101.846","0.003","90","","904.57","0.04","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- Al0.22 Ca0.17 Fe5.3 H2 Mg1.31 O24 Si8 -","- Al0.215 Ca0.172 Fe5.301 H2 Mg1.312 O24 Si8 -","- Al0.43 Ca0.344 Fe10.602 H4 Mg2.624 O48 Si16 -","2","0.25","","Giacobbe, Carlotta; Di Giuseppe, Dario; Zoboli, Alessandro; Lassinantti Gualtieri, Magdalena; Bonasoni, Paola; Moliterni, Anna; Corriero, Nicola; Altomare, Angela; Wright, Jonathan; Gualtieri, Alessandro F.","Crystal structure determination of a lifelong biopersistent asbestos fibre using single-crystal synchrotron X-ray micro-diffraction","IUCrJ","2021","8","1","76","86","10.1107/S2052252520015079","","x-ray","0.30911","synchrotron","","0.0558","0.0536","","","0.1343","0.1353","","","","","","1.232","","","","has coordinates","261805","2021-02-05","14:55:01",""
"1559807","15.4357","","20.01","","4.7994","","90","","91.728","","90","","1481.71","","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Kaatialaite","","","- As3 Fe H16 O17 -","- As3 Fe H16 O17 -","- As12 Fe4 H64 O68 -","4","1","","Steciuk, Gwladys; Majzlan, Juraj; Plášil, Jakub","Hydrogen disorder in kaatialaite Fe[AsO~2~(OH)~2~]5H~2~O from Jáchymov, Czech Republic: determination from low-temperature 3D electron diffraction","IUCrJ","2021","8","1","116","123","10.1107/S2052252520015626","","electron","0.0251","electron","","0.4453","0.1082","","","0.1007","0.1272","","","","0","0","1.27","","","","has coordinates","261804","2021-02-05","14:54:53",""
"1559811","25.6008","0.0009","7.0486","0.0002","21.7397","0.0007","90","","114.951","0.001","90","","3556.8","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 F6 N2 O P -","- C17 H19 F6 N2 O P -","- C136 H152 F48 N16 O8 P8 -","8","2","","Whitaker, Daniel J.; Huang, Zehuan; Longbottom, Brooke W.; Sala, Renata L.; Wu, Guanglu; Scherman, Oren A.","Supramolecular hydrogels prepared from fluorescent alkyl pyridinium acrylamide monomers and CB[8]","Polymer Chemistry","2021","12","4","519","525","10.1039/D0PY01374A","","","1.54178","CuKα","","0.0667","0.057","","","0.1477","0.1554","","","","","","1.032","","","","has coordinates","261769","2021-02-04","23:32:04",""
"1559833","10.49","0.0002","17.3785","0.0004","13.7941","0.0003","90","","110.495","0.001","90","","2355.5","0.09","302","2","302","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 K3 O12 Tm3 -","- B4 K3 O12 Tm3 -","- B32 K24 O96 Tm24 -","8","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2021","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0266","0.0191","","","0.0341","0.0356","","","","","","1.109","","","","has coordinates","260050","2020-12-21","17:25:43",""
"1559834","10.5189","0.0002","17.4322","0.0004","13.8305","0.0003","90","","110.521","0.001","90","","2375.14","0.09","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 Er3 K3 O12 -","- B4 Er3 K3 O12 -","- B32 Er24 K24 O96 -","8","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2021","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0333","0.0218","","","0.0331","0.0353","","","","","","1.072","","","","has coordinates","260051","2020-12-21","17:28:02",""
"1559835","10.8167","0.001","9.0776","0.0009","14.1014","0.0016","90.051","0.006","110.257","0.006","89.901","0.006","1299","0.2","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- B4 K3 O12 Pr3 -","- B4 K3 O12 Pr3 -","- B16 K12 O48 Pr12 -","4","2","","Chen, Pengyun; Murshed, M. Mangir; Gesing, Thorsten M.","Synthesis and crystal structures of novel alkali rare-earth orthoborates K3RE3(BO3)4 (RE = Pr, Nd, Sm‒Lu)","Journal of Materials Science","2021","56","5","3639","3652","10.1007/s10853-020-05506-5","","","0.71073","MoKα","","0.0269","0.0206","","","0.0293","0.0303","","","","","","1.055","","","","has coordinates","260052","2020-12-21","17:31:07",""
"1559863","10.1836","0.0008","16.2598","0.0012","23.1451","0.0014","86.414","0.005","81.109","0.006","77.472","0.006","3694.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 S4 Si2 -","- C32 H30 N2 S4 Si2 -","- C128 H120 N8 S16 Si8 -","4","2","","Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua","Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties.","Soft matter","2021","17","2","341","345","10.1039/d0sm01957g","","x-ray","0.71073","MoKα","","0.1241","0.0805","","","0.1835","0.2044","","","","","","1.015","","","","has coordinates","261770","2021-02-04","23:32:20",""
"1559864","38.5368","0.0012","38.5368","0.0012","13.3783","0.0008","90","","90","","120","","17206.1","1.3","300","2","300.51","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C32 H30 N2 S4 Si2 -","- C32 H30 N2 S4 Si2 -","- C576 H540 N36 S72 Si36 -","18","1","","Tian, Yu; Wang, Chenglong; Wang, Guangxia; Xu, Li; Wang, Hua","Ag-Induced metallogel based on cyclooctatetrathiophene: structural characterization and stimuli-responsive properties.","Soft matter","2021","17","2","341","345","10.1039/d0sm01957g","","","0.71073","MoKα","","0.0639","0.0366","","","0.0827","0.1004","","","","","","1.091","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559888","12.1157","0.0004","6.1134","0.0002","9.97","0.0003","90","","90","","90","","738.46","0.04","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H4 D6 O6 -","- C7 H4 D6 O6 -","- C28 H16 D24 O24 -","4","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.54184","CuKα","","0.031","0.0309","","0.0816","0.0816","0.0816","","","","","","1.0267","","","","has coordinates","262547","2021-03-05","01:39:02",""
"1559889","10.4164","0.0002","6.6513","0.0002","11.2592","0.0002","90","","96.9535","0.0017","90","","774.33","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H18 O8 -","- C14 H18 O8 -","- C28 H36 O16 -","2","1","","Joffrin, Amélie M.; Saunders, Alex M.; Barneda, David; Flemington, Vikki; Thompson, Amber L.; Sanganee, Hitesh J.; Conway, Stuart J.","Development of isotope-enriched phosphatidylinositol-4- and 5-phosphate cellular mass spectrometry probes","Chemical Science","2021","12","7","2549","2557","10.1039/D0SC06219G","","","1.5418","CuKα","","0.023","0.0229","","0.0591","0.059","0.0591","","","","","","1.0108","","","","has coordinates","262547","2021-03-05","01:39:03",""
"1559893","15.797","0.0011","10.6695","0.0007","7.533","0.0005","90","","91.679","0.003","90","","1269.11","0.15","149.97","","149.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O -","- C12 H14 Br2 O -","- C48 H56 Br8 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0495","0.0338","","","0.0772","0.0855","","","","","","1.021","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559894","14.654","0.0014","7.0476","0.0007","17.0806","0.0019","90","","91.653","0.004","90","","1763.3","0.3","149.95","","149.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O -","- C18 H22 N6 O -","- C72 H88 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0903","0.0462","","","0.0985","0.1202","","","","","","1.053","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559895","5.4266","0.0005","52.494","0.005","8.032","0.0008","90","","107.835","0.003","90","","2178.1","0.4","99.57","","99.57","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O -","- C23 H32 N6 O -","- C92 H128 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0511","0.0425","","","0.1063","0.1091","","","","","","1.052","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559907","12.5601","0.0003","7.39591","0.0002","14.8102","0.0004","90","","98.207","0.003","90","","1361.68","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 B Fe N -","- C12 H22 B Fe N -","- C48 H88 B4 Fe4 N4 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","0.71","MoKα","","0.0589","0.0432","","","0.1039","0.1137","","","","","","1.077","","","","has coordinates,has disorder","263688","2021-04-05","14:20:09",""
"1559908","12.9415","0.0003","14.6375","0.0004","19.3031","0.0005","103.817","0.002","92.601","0.002","92.604","0.002","3541.17","0.16","173","0.1","173","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C68 H60 B2 F24 Fe N O2 P -","- C68 H60 B2 F24 Fe N O2 P -","- C136 H120 B4 F48 Fe2 N2 O4 P2 -","2","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","1.54184","CuKα","","0.0924","0.0765","","","0.2084","0.2379","","","","","","1.074","","","","has coordinates,has disorder","263688","2021-04-05","14:20:10",""
"1559909","13.1206","0.0002","16.6063","0.0002","36.1078","0.0005","90","","93.609","0.001","90","","7851.73","0.19","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H67 B2 F24 Fe N P2 -","- C78 H57.4 B2 F24 Fe N P2 -","- C312 H229.6 B8 F96 Fe4 N4 P8 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","x-ray","1.54184","CuKα","","0.0973","0.0806","","","0.2199","0.2347","","","","","","1.024","","","","has coordinates,has disorder","263688","2021-04-05","14:20:10",""
"1559910","15.3228","0.0002","26.7339","0.0003","35.8973","0.0004","90","","99.93","0.001","90","","14484.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 B Fe N P -","- C28 H31 B Fe N P -","- C672 H744 B24 Fe24 N24 P24 -","24","6","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","","1.54184","CuKα","","0.0954","0.0541","","","0.1418","0.171","","","","","","1.002","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1559911","10.668","0.004","10.792","0.004","21.922","0.008","90","","92.119","0.003","90","","2522.1","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Fe N P -","- C28 H33 B Fe N P -","- C112 H132 B4 Fe4 N4 P4 -","4","1","","Zhai, Xiaofang; Pang, Maofu; Feng, Lei; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Dehydrogenation of iron amido-borane and resaturation of the imino-borane complex","Chemical Science","2021","12","8","2885","2889","10.1039/D0SC06787C","","","0.71","synchrotron","","0.0554","0.037","","","0.0892","0.102","","","","","","1.0753","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559914","7.2281","0.0007","8.1281","0.0005","11.7212","0.0012","70.892","0.004","87.545","0.005","89.101","0.003","650.09","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","hexane-1,6-diaminium tetrachloro-palladium(ii)","","- C6 H18 Cl4 N2 Pd -","- C6 H18 Cl4 N2 Pd -","- C12 H36 Cl8 N4 Pd2 -","2","1","","Zierkiewicz, Wiktor; Michalczyk, Mariusz; Maris, Thierry; Wysokinski, Rafal; Scheiner, Steve","Experimental and Theoretical Evidence of Attractive Interactions between Dianions: [PdCl4]2-...[PdCl4]2-","Chemical Communications","2021","","","","","10.1039/D1CC05640A","","","0.7107","MoKα","","0.041","0.037","","","0.0882","0.0894","","","","","","1.146","","","","has coordinates","270793","2021-11-21","03:49:37",""
"1559931","24.7443","0.0003","24.7443","0.0003","24.7443","0.0003","90","","90","","90","","15150.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.75 -","- O384 Si192 Zn35.776 -","- O384 Si192 Zn35.776 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0659","0.0574","","","0.1602","0.174","","","","","","1.224","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559932","24.7012","0.0003","24.7012","0.0003","24.7012","0.0003","90","","90","","90","","15071.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O394.64 Si192 Zn38.54 -","- O394.656 Si192 Zn38.576 -","- O394.656 Si192 Zn38.576 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0662","0.0605","","","0.1642","0.1685","","","","","","1.199","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559933","24.7342","0.0003","24.7342","0.0003","24.7342","0.0003","90","","90","","90","","15131.9","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn37.08 -","- O384 Si192 Zn37.088 -","- O384 Si192 Zn37.088 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0792","0.0713","","","0.1966","0.2077","","","","","","1.254","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559934","24.7409","0.0003","24.7409","0.0003","24.7409","0.0003","90","","90","","90","","15144.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.44 -","- O384 Si192 Zn36.352 -","- O384 Si192 Zn36.352 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0734","0.0649","","","0.1787","0.1979","","","","","","1.288","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559935","24.7367","0.0003","24.7367","0.0003","24.7367","0.0003","90","","90","","90","","15136.5","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn37 -","- O384 Si192 Zn36.848 -","- O384 Si192 Zn36.848 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0877","0.0702","","","0.1929","0.2176","","","","","","1.327","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559936","24.7334","0.0003","24.7334","0.0003","24.7334","0.0003","90","","90","","90","","15130.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.93 -","- O384 Si192 Zn35.888 -","- O384 Si192 Zn35.888 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0796","0.0725","","","0.2099","0.2155","","","","","","1.174","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559937","24.706","0.0003","24.706","0.0003","24.706","0.0003","90","","90","","90","","15080.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O393.88 Si192 Zn37.67 -","- O393.878 Si192 Zn37.68 -","- O393.878 Si192 Zn37.68 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0418","0.0411","","","0.1232","0.1235","","","","","","1.254","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559938","24.7496","0.0003","24.7496","0.0003","24.7496","0.0003","90","","90","","90","","15160.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.51 -","- O384 Si192 Zn35.472 -","- O384 Si192 Zn35.472 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0625","0.0585","","","0.1744","0.178","","","","","","1.203","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559939","24.731","0.0002","24.731","0.0002","24.731","0.0002","90","","90","","90","","15126","0.2","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.23 Si192 Zn36.1 -","- O389.251 Si192 Zn36.144 -","- O389.251 Si192 Zn36.144 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.056","0.0525","","","0.1314","0.1382","","","","","","1.249","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559940","24.7323","0.0003","24.7323","0.0003","24.7323","0.0003","90","","90","","90","","15128.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.95 Si192 Zn35.28 -","- O389.952 Si192 Zn35.264 -","- O389.952 Si192 Zn35.264 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0649","0.0597","","","0.1809","0.1851","","","","","","1.197","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559941","24.7508","0.0003","24.7508","0.0003","24.7508","0.0003","90","","90","","90","","15162.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.19 -","- O384 Si192 Zn36.192 -","- O384 Si192 Zn36.192 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0694","0.064","","","0.1831","0.188","","","","","","1.205","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559942","24.7029","0.0003","24.7029","0.0003","24.7029","0.0003","90","","90","","90","","15074.5","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O393.73 Si192 Zn37.59 -","- O393.744 Si192 Zn37.568 -","- O393.744 Si192 Zn37.568 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0672","0.062","","","0.1882","0.1946","","","","","","1.226","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559943","24.7557","0.0003","24.7557","0.0003","24.7557","0.0003","90","","90","","90","","15171.4","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn35.75 -","- O384 Si192 Zn35.68 -","- O384 Si192 Zn35.68 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0634","0.057","","","0.1529","0.1593","","","","","","1.2","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559944","24.743","0.0003","24.743","0.0003","24.743","0.0003","90","","90","","90","","15148.1","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O384 Si192 Zn36.82 -","- O384 Si192 Zn36.8 -","- O384 Si192 Zn36.8 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0725","0.066","","","0.1929","0.1963","","","","","","1.194","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559945","24.7327","0.0003","24.7327","0.0003","24.7327","0.0003","90","","90","","90","","15129.2","0.3","100","1","100","1","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- O389.83 Si192 Zn35.41 -","- O389.818 Si192 Zn35.44 -","- O389.818 Si192 Zn35.44 -","1","0.00520833","","Moon, Dae Jun; Lim, Woo Taik; Peterson, Brian K.; Seff, Karl","Using Crystallography and NMR to Count the Number of Three-Aluminum Six-Rings in Fully Zn2±Exchanged Zeolite Y. These Six-Rings Concentrate at Single Six-Ring Positions","The Journal of Physical Chemistry C","2021","125","1","583","592","10.1021/acs.jpcc.0c09682","","","0.63","","","0.0595","0.0561","","","0.1666","0.1728","","","","","","1.204","","","","has coordinates","261505","2021-02-04","03:34:24",""
"1559946","12.8322","0.0003","19.9878","0.0003","20.044","0.0005","90","","90","","90","","5141.03","0.19","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","csiMOF-6","","- C30 H14 Cd N4 O8 S -","- C30 H14 Cd N4 O8 S -","- C120 H56 Cd4 N16 O32 S4 -","4","0.5","","Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.","A cofacial metal‒organic framework based photocathode for carbon dioxide reduction","Chemical Science","2021","12","10","3608","3614","10.1039/D0SC04691D","","","1.54178","CuKα","","0.0723","0.0611","","","0.1993","0.2123","","","","","","0.924","","","","has coordinates,has disorder","263672","2021-04-05","14:16:17",""
"1559947","12.9936","0.0001","19.8725","0.0001","20.0366","0.0003","90","","90","","90","","5173.76","0.09","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","csiMOF-6","","- C30 H14 Cd N4 O8 S -","- C30 H14 Cd N4 O8 S -","- C120 H56 Cd4 N16 O32 S4 -","4","0.5","","Ding, Bowen; Chan, Bun; Proschogo, Nicholas; Solomon, Marcello B.; Kepert, Cameron J.; D'Alessandro, Deanna M.","A cofacial metal‒organic framework based photocathode for carbon dioxide reduction","Chemical Science","2021","12","10","3608","3614","10.1039/D0SC04691D","","","1.54178","CuKα","","0.0679","0.0615","","","0.1811","0.1861","","","","","","1.155","","","","has coordinates,has disorder","263672","2021-04-05","14:16:21",""
"1559948","8.909","0.002","9.012","0.003","27.896","0.008","90","","92.832","0.01","90","","2237","1.1","385","2","385.05","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","0.25","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.1099","0.0948","","","0.262","0.2731","","","","","","1.068","","","","has coordinates,has disorder","263689","2021-04-05","14:20:16",""
"1559949","27.3848","0.0012","9.0015","0.0004","8.8216","0.0003","90","","95.999","0.001","90","","2162.65","0.15","290","2","290","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H34 I12 N4 Pb3 -","- C10 H34 I12 N4 Pb3 -","- C20 H68 I24 N8 Pb6 -","2","1","","Li, Dong; Wu, Wentao; Han, Shiguo; Liu, Xitao; Peng, Yu; Li, Xiaoqi; Li, Lina; Hong, Maochun; Luo, Junhua","A reduced-dimensional polar hybrid perovskite for self-powered broad-spectrum photodetection","Chemical Science","2021","12","8","3050","3054","10.1039/D0SC06112C","","","0.71073","MoKα","","0.0783","0.0627","","","0.1686","0.1831","","","","","","1.038","","","","has coordinates","263689","2021-04-05","14:20:16",""
"1559953","11.3867","0.0002","13.3132","0.0003","12.4183","0.0002","90","","92.717","0.002","90","","1880.42","0.06","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 F3 N2 O5 Pt S -","- C15 H19 F3 N2 O5 Pt S -","- C60 H76 F12 N8 O20 Pt4 S4 -","4","1","","Pal, Shrinwantu; Nozaki, Kyoko; Vedernikov, Andrei N.; Love, Jennifer A.","Reversible PtII‒CH3 deuteration without methane loss: metal‒ligand cooperation vs. ligand-assisted PtII-protonation","Chemical Science","2021","12","8","2960","2969","10.1039/D0SC06518H","","x-ray","0.71073","MoKα","","0.0299","0.0259","","","0.0528","0.0536","","","","","","1.195","","","","has coordinates,has disorder","263687","2021-04-05","14:19:54",""
"1559954","6.9704","0.0003","8.0097","0.0003","11.9695","0.0005","90","","100.105","0.002","90","","657.9","0.05","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H13 F2 N O4 S2 -","- C10 H13 F2 N O4 S2 -","- C20 H26 F4 N2 O8 S4 -","2","1","","Rossi, Maria-Agustina; Martinez, Veronica; Hinchliffe, Philip; Mojica, Maria F.; Castillo, Valerie; Moreno, Diego M.; Smith, Ryan; Spellberg, Brad; Drusano, George L.; Banchio, Claudia; Bonomo, Robert A.; Spencer, James; Vila, Alejandro J.; Mahler, Graciela","2-Mercaptomethyl-thiazolidines use conserved aromatic‒S interactions to achieve broad-range inhibition of metallo-β-lactamases","Chemical Science","2021","12","8","2898","2908","10.1039/D0SC05172A","","","0.71073","MoKα","","0.0362","0.0323","","","0.0844","0.0889","","","","","","1.115","","","","has coordinates,has disorder","263691","2021-04-05","14:20:29",""
"1559955","45.692","0.002","45.692","0.002","77.435","0.004","90","","90","","120","","140007","11","193","2","193","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C224 H252 Au44 S28 -","- C224 H252 Au44 S28 -","- C4032 H4536 Au792 S504 -","18","0.5","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.0923","0.0488","","","0.1309","0.1596","","","","","","1.016","","","","has coordinates","263693","2021-04-05","14:21:37",""
"1559956","35.243","0.003","36.193","0.003","46.321","0.004","78.898","0.003","74.68","0.003","79.183","0.003","55332","8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C240 H270 Au38 Cd4 S30 -","- C240 H270 Au38 Cd4 S30 -","- C1440 H1620 Au228 Cd24 S180 -","6","3","","Liu, Xu; Yao, Guo; Cheng, Xinglian; Xu, Jiayu; Cai, Xiao; Hu, Weigang; Xu, Wen Wu; Zhang, Chunfeng; Zhu, Yan","Cd-driven surface reconstruction and photodynamics in gold nanoclusters","Chemical Science","2021","12","9","3290","3294","10.1039/D0SC05163B","","","0.71073","MoKα","","0.1086","0.0551","","","0.1486","0.175","","","","","","0.953","","","","has coordinates,has disorder","263693","2021-04-05","14:21:38",""
"1559957","18.7488","","7.1526","","29.1812","","90","","93.7725","","90","","3904.8","","298","","298","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.10945 S -","- C112 H64 N16 Na16 O81.7512 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1659","0.0548","","","0.0489","0.0567","","","","2.32","2.32","1.74","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559958","18.747","","7.1519","","29.1807","","90","","93.7723","","90","","3903.97","","298","","298","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.10945 S -","- C112 H64 N16 Na16 O81.7512 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1347","0.0539","","","0.0512","0.0563","","","","2.55","2.55","1.95","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559959","18.6705","","7.123","0.0001","29.1292","0.0001","90","","93.6645","","90","","3865.97","0.06","210","","210","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1094 S -","- C112 H64 N16 Na16 O81.7504 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1159","0.0518","","","0.0505","0.0544","","","","2.53","2.53","2.04","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559960","18.5979","","7.0922","","29.0731","","90","","93.5819","0.0001","90","","3827.25","0.0004","90","","90","","","","","","","","","6","C 1 2/n 1","-C 2yac","15","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1094 S -","- C112 H64 N16 Na16 O81.7504 S16 -","16","2","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.0883","0.0486","","","0.0511","0.0534","","","","2.73","2.73","2.32","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559961","18.5729","0.0001","7.0819","0.0001","29.0233","0.0001","89.9808","0.0013","93.511","0.0001","89.9763","0.0014","3810.31","0.06","40","","40","","","","","","","","","6","C -1","-C 1","2","Sodium Saccharinate 1.875-Hydrate","","","- C7 H4 N Na O4.875 S -","- C7 H4 N Na O5.1091 S -","- C112 H64 N16 Na16 O81.7456 S16 -","16","","","Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schönleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander","Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate","IUCrJ","2021","8","1","139","147","10.1107/S2052252520015912","","x-ray","0.5","synchrotron","","0.1065","0.0582","","","0.059","0.061","","","","3","3","2.49","","","","has coordinates","261806","2021-02-05","14:57:46",""
"1559963","4.03542","0.00013","4.03542","0.00013","4.03542","0.00013","90","","90","","90","","65.715","0.004","","","298","","","","100","","","","","3","P m -3 m","-P 4 2 3","221","cubic BaTiO3","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.0208333","","Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K.","Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process","Journal of the Ceramic Society of Japan","2021","129","","73","78","10.2109/jcersj2.20147","","","","","","","","","","","","","","","","","","","","","has coordinates","260564","2021-01-06","06:33:53",""
"1559964","3.99048","0.00009","3.99048","0.00009","4.02303","0.0001","90","","90","","90","","64.062","0.003","","","298","","","","100","","","","","3","P 4 m m","P 4 -2","99","tetragonal BaTiO3","","","- Ba O3 Ti -","- Ba O3 Ti -","- Ba O3 Ti -","1","0.125","","Aimi, A.; Horiuchi, K.; Yamaguchi, Y.; Ito, S.; Fujimoto, K.","Disordered off-center direction of Ti4+ in pseudo-cubic type BaTiO3 prepared by mixed hydroxide process","Journal of the Ceramic Society of Japan","2021","129","","73","78","10.2109/jcersj2.20147","","","","","","","","","","","","","","","","","","","","","has coordinates","260565","2021-01-06","06:34:42",""
"1559965","10.0975","0.00002","10.0975","0.00002","10.0975","0.00002","90","","90","","90","","1029.54","0.004","","","298","","","","100","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Y2Ti2O7 Y/Ti=1.003","","","- O7 Ti2 Y2 -","- O6.9988 Ti1.997 Y2.003 -","- O55.9904 Ti15.976 Y16.024 -","8","0.0416667","","Takano, M.; Matsudaira, T.; Kawai, E.; Kawashima, N.; Matsumoto, U.; Ogawa, T.; Takeuchi, M.; Kitaoka, S.","Effect of chemical composition on mass transfer in Y2Ti2O7 under oxygen potential gradient at high temperatures","Journal of the Ceramic Society of Japan","2021","129","","22","31","10.2109/jcersj2.20165","","","","","","","","","","","","","","","","","","","","","has coordinates","260566","2021-01-06","06:36:15",""
"1559971","8.4055","0.0006","18.3319","0.0012","15.0466","0.001","90","","92.57","0.002","90","","2316.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe N2 O4 Si2 -","- C20 H30 Fe N2 O4 Si2 -","- C80 H120 Fe4 N8 O16 Si8 -","4","1","","Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita","Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation","Catalysis Science & Technology","2021","11","4","1407","1418","10.1039/D0CY02329A","","","0.71073","MoKα","","0.0838","0.0751","","","0.1296","0.1319","","","","","","1.421","","","","has coordinates","262466","2021-03-05","01:14:10",""
"1559978","7.0096","0.0004","11.6756","0.0006","17.1032","0.0009","96.573","0.002","98.931","0.002","99.536","0.002","1349.48","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H36 N2 S2 -","- C30 H36 N2 S2 -","- C60 H72 N4 S4 -","2","1","","Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.","N-Oxide S‒O chalcogen bonding in conjugated materials","Chemical Science","2021","12","6","2304","2312","10.1039/D0SC06583H","","","0.71073","MoKα","","0.1351","0.0549","","","0.0847","0.0969","","","","","","1.316","","","","has coordinates","262543","2021-03-05","01:38:02",""
"1559979","6.7333","0.0017","7.2344","0.0018","14.884","0.004","85.396","0.007","80.658","0.007","74.043","0.007","687.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N2 O S2 -","- C30 H36 N2 O S2 -","- C30 H36 N2 O S2 -","1","0.5","","Sinclair, Geoffrey S.; Claridge, Robert C. M.; Kukor, Andrew J.; Hopkins, W. Scott; Schipper, Derek J.","N-Oxide S‒O chalcogen bonding in conjugated materials","Chemical Science","2021","12","6","2304","2312","10.1039/D0SC06583H","","","0.71073","MoKα","","0.0902","0.049","","","0.0892","0.0998","","","","","","1.203","","","","has coordinates","262543","2021-03-05","01:38:02",""
"1559980","5.974","0.005","16.697","0.005","14.741","0.005","90","0.005","91.617","0.005","90","0.005","1469.8","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu","C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)‒Pd(ii) catalysis vs. Pd(ii) catalysis","Chemical Science","2021","12","9","3216","3225","10.1039/D0SC05409G","","","0.71069","MoKα","","0.0837","0.065","","","0.1609","0.1724","","","","","","1.084","","","","has coordinates","263697","2021-04-05","14:22:52",""
"1559981","8.1516","0.0008","8.1871","0.0008","11.8093","0.0011","96.901","0.008","107.557","0.009","92.751","0.008","743.01","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","","Cheng, Yaohang; Yu, Shijie; He, Yuhang; An, Guanghui; Li, Guangming; Yang, Zhenyu","C4-arylation and domino C4-arylation/3,2-carbonyl migration of indoles by tuning Pd catalytic modes: Pd(i)–Pd(ii) catalysis vs. Pd(ii) catalysis","Chemical Science","2021","12","9","3216","3225","10.1039/D0SC05409G","","","0.71073","MoKα","","0.06","0.0453","","","0.1279","0.1532","","","","","","0.702","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1559982","21.3948","0.0019","27.211","0.003","29.938","0.004","80.347","0.01","70.094","0.009","67.283","0.008","15103","3","120","2","120","2","","","","","","","","10","P -1","-P 1","2","","","","- C285 H325 Ag21 Au B2 Cl2 Fe3 O2 P6 S12 -","- C285 H321 Ag21 Au0.9935 B2 Cl2 Fe3 P6 S12 -","- C570 H642 Ag42 Au1.987 B4 Cl4 Fe6 P12 S24 -","2","1","","Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou","New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts","Chemical Science","2021","12","10","3660","3667","10.1039/D0SC05923D","","","1.54186","CuKα","","0.1413","0.116","","","0.3142","0.3333","","","","","","1.328","","","","has coordinates","263677","2021-04-05","14:17:20",""
"1559983","21.412","0.0002","27.2727","0.0003","29.7612","0.0003","79.123","0.001","70.493","0.001","66.956","0.001","15040.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C298 H333 Ag22 B2 Fe3 P6 S12 -","- C298 H333 Ag22 B2 Fe3 P6 S12 -","- C596 H666 Ag44 B4 Fe6 P12 S24 -","2","1","","Zou, Xuejuan; He, Shuping; Kang, Xi; Chen, Shuang; Yu, Haizhu; Jin, Shan; Astruc, Didier; Zhu, Manzhou","New atomically precise M1Ag21 (M = Au/Ag) nanoclusters as excellent oxygen reduction reaction catalysts","Chemical Science","2021","12","10","3660","3667","10.1039/D0SC05923D","","","1.54186","CuKα","","0.0872","0.0741","","","0.1974","0.2054","","","","","","1.057","","","","has coordinates","263677","2021-04-05","14:17:20",""
"1559992","10.309","0.0002","13.9097","0.0002","15.4326","0.0003","90","","101.658","0.0001","90","","2167.31","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N3 O Pt -","- C29 H21 N3 O Pt -","- C116 H84 N12 O4 Pt4 -","4","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0332","0.0297","","","0.0724","0.0751","","","","","","1.071","","","","has coordinates","263695","2021-04-05","14:22:29",""
"1559993","11.8675","0.0009","12.4514","0.001","17.2457","0.0014","94.655","0.002","96.279","0.002","113.088","0.002","2308.6","0.3","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 F4 N3 O Pd -","- C29 H17 F4 N3 O Pd -","- C116 H68 F16 N12 O4 Pd4 -","4","2","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0899","0.0546","","","0.0942","0.106","","","","","","1.031","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559994","9.3869","0.0003","11.7589","0.0002","11.9012","0.0003","117.792","0.001","105.826","0.001","94.593","0.001","1084.42","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H19 F2 N3 O Pt -","- C29 H19 F2 N3 O Pt -","- C58 H38 F4 N6 O2 Pt2 -","2","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0258","0.0248","","","0.0608","0.0619","","","","","","1.056","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559995","22.8339","0.0003","9.8626","0.0002","22.7576","0.0003","90","","117.704","0.001","90","","4537.52","0.13","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C29 H17 F4 N3 O Pt -","- C29 H17 F4 N3 O Pt -","- C232 H136 F32 N24 O8 Pt8 -","8","2","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0632","0.0434","","","0.0827","0.0936","","","","","","1.069","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1559996","9.6007","0.0002","11.7181","0.0002","12.0959","0.0003","118.283","0.001","95.325","0.001","104.556","0.001","1123.48","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H17 F4 N3 O Pt -","- C29 H17 F4 N3 O Pt -","- C58 H34 F8 N6 O2 Pt2 -","2","1","","Maisuls, Iván; Wang, Cui; Gutierrez Suburu, Matias E.; Wilde, Sebastian; Daniliuc, Constantin-Gabriel; Brünink, Dana; Doltsinis, Nikos L.; Ostendorp, Stefan; Wilde, Gerhard; Kösters, Jutta; Resch-Genger, Ute; Strassert, Cristian A.","Ligand-controlled and nanoconfinement-boosted luminescence employing Pt(ii) and Pd(ii) complexes: from color-tunable aggregation-enhanced dual emitters towards self-referenced oxygen reporters","Chemical Science","2021","12","9","3270","3281","10.1039/D0SC06126C","","","0.71073","MoKα","","0.0247","0.0241","","","0.0621","0.0628","","","","","","1.042","","","","has coordinates","263695","2021-04-05","14:22:30",""
"1560013","5.2406","0.0007","6.5334","0.0008","31.137","0.004","90","","91.691","0.005","90","","1065.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O4 -","- C26 H30 N2 O4 -","- C52 H60 N4 O8 -","2","0.5","","Goudappagouda, ?; Nidhankar, Aakash D.; Nayak, Rashmi A.; Santhosh Babu, Sukumaran","Aggregation-induced phosphorescence of an anthraquinone based emitter.","Organic & biomolecular chemistry","2021","19","5","1004","1008","10.1039/d0ob02505d","","","0.71073","MoKα","","0.1008","0.0708","","","0.1768","0.1926","","","","","","1.099","","","","has coordinates","262709","2021-03-05","02:23:44",""
"1560014","7.4548","0.0009","22.976","0.003","8.3149","0.001","90","","115.866","0.003","90","","1281.5","0.3","282","","282.34","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","XU4042","Chen, Lin; Hu, Jin; Sun, Hong-Shun","7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one","IUCrData","2021","6","1","x210018","","10.1107/S2414314621000183","","x-ray","0.71073","MoKα","","0.0769","0.0601","","","0.1427","0.1532","","","","","","1.053","","","","has coordinates,has Fobs","260888","2021-01-09","06:21:55",""
"1560015","8.3649","0.0002","10.0504","0.0002","10.2831","0.0003","73.682","0.002","70.348","0.001","86.635","0.001","780.74","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.0862","0.0709","","","0.1768","0.1895","","","","","","1.072","","","","has coordinates","263681","2021-04-05","14:18:09",""
"1560016","6.3005","0.0003","10.5228","0.0005","10.9791","0.0005","65.837","0.003","82.374","0.003","88.124","0.004","658.07","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H21 N O2 S -","- C12 H21 N O2 S -","- C24 H42 N2 O4 S2 -","2","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.1147","0.0643","","","0.1657","0.2026","","","","","","1.035","","","","has coordinates,has disorder","263681","2021-04-05","14:18:11",""
"1560017","10.5885","0.0004","8.3629","0.0003","20.6387","0.0007","90","","99.927","0.002","90","","1800.21","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 O2 -","- C22 H26 O2 -","- C88 H104 O8 -","4","1","","Kleinmans, Roman; Will, Leon E.; Schwarz, J. Luca; Glorius, Frank","Photoredox-enabled 1,2-dialkylation of α-substituted acrylates via Ireland‒Claisen rearrangement","Chemical Science","2021","12","8","2816","2822","10.1039/D0SC06385A","","","1.54178","CuKα","","0.0732","0.0469","","","0.1056","0.1201","","","","","","1.04","","","","has coordinates","263681","2021-04-05","14:18:16",""
"1560018","8.9009","0.0006","10.4501","0.0007","17.0815","0.0011","104.343","0.002","91.133","0.002","112.507","0.002","1410.37","0.16","110","2","110.03","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 N2 O P -","- C35 H35 N2 O P -","- C70 H70 N4 O2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","1.54178","CuKα","","0.0353","0.0339","","","0.0861","0.0874","","","","","","1.051","","","","has coordinates","263702","2021-04-05","14:26:46",""
"1560019","8.2229","0.0005","12.4346","0.0006","13.1943","0.0007","108.632","0.002","96.25","0.002","93.485","0.002","1264.24","0.12","110","2","110","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N O P -","- C33 H30 N O P -","- C66 H60 N2 O2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0675","0.0485","","","0.1202","0.1335","","","","","","1.03","","","","has coordinates","263702","2021-04-05","14:26:48",""
"1560020","7.4114","0.0004","15.707","0.0007","22.5898","0.0011","90","","92.536","0.002","90","","2627.1","0.2","110","2","109.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 F3 O4 P S -","- C32 H22 F3 O4 P S -","- C128 H88 F12 O16 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0876","0.0821","","","0.2302","0.2373","","","","","","1.042","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560021","8.0035","0.0007","27.389","0.002","12.6664","0.001","90","","90","","90","","2776.6","0.4","110","2","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0512","0.0448","","","0.097","0.1003","","","","","","1.096","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560022","8.9602","0.0005","11.4072","0.0006","28.9126","0.0015","90","","93.074","0.002","90","","2950.9","0.3","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F3 N O3 P S -","- C34 H29 F3 N O3 P S -","- C136 H116 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0862","0.0776","","","0.178","0.188","","","","","","1.34","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560023","16.162","0.001","12.9217","0.0008","14.4246","0.0009","90","","107.362","0.002","90","","2875.2","0.3","110","2","110.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","C33H25F3NO3PS","","- C33 H25 F3 N O3 P S -","- C33 H25 F3 N O3 P S -","- C132 H100 F12 N4 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","1.54178","CuKα","","0.0478","0.0428","","","0.1114","0.117","","","","","","1.045","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560024","11.0775","0.0009","19.2817","0.0016","15.3042","0.0013","90","","104","0.003","90","","3171.8","0.5","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 F3 N2 O3 P S -","- C36 H34 F3 N2 O3 P S -","- C144 H136 F12 N8 O12 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0731","0.048","","","0.1123","0.1277","","","","","","1.044","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560025","8.2171","0.0006","20.0635","0.0013","9.9302","0.0006","90","","111.472","0.002","90","","1523.51","0.18","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C33H29AuBClF4NP","","- C33 H29 Au B Cl F4 N P -","- C33 H29 Au B Cl F4 N P -","- C66 H58 Au2 B2 Cl2 F8 N2 P2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0345","0.031","","","0.0558","0.0571","","","","","","1.098","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560026","16.5012","0.0019","15.8634","0.0017","13.7254","0.0016","90","","92.673","0.004","90","","3588.9","0.7","110.04","0.02","110.04","0.02","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 Au B2 F8 N P S -","- C36 H33 Au B2 F8 N P S -","- C144 H132 Au4 B8 F32 N4 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","0.71073","MoKα","","0.0619","0.045","","","0.1132","0.1286","","","","","","1.056","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560027","8.2911","0.0007","15.0763","0.0013","14.2431","0.0012","90","","97.96","0.004","90","","1763.2","0.3","110","2","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","C37H37AuB2F8NPS","","- C37 H37 Au B2 F8 N P S -","- C37 H37 Au B2 F8 N P S -","- C74 H74 Au2 B4 F16 N2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0408","0.0403","","","0.1051","0.1054","","","","","","1.115","","","","has coordinates,has disorder","263702","2021-04-05","14:26:50",""
"1560028","10.2268","0.0008","8.5127","0.0008","45.347","0.004","90","","94.336","0.002","90","","3936.5","0.6","125","2","125","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","C39H42AuB2F8N2PS","","- C39 H42 Au B2 F8 N2 P S -","- C39 H42 Au B2 F8 N2 P S -","- C156 H168 Au4 B8 F32 N8 P4 S4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","","0.71073","MoKα","","0.1908","0.1456","","","0.2693","0.286","","","","","","1.265","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560029","20.6017","0.0008","8.5026","0.0003","20.569","0.0007","90","","118.012","0.001","90","","3180.9","0.2","110","2","110.02","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Au B Cl F4 N2 P -","- C35 H34 Au B Cl F4 N2 P -","- C140 H136 Au4 B4 Cl4 F16 N8 P4 -","4","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","1.54178","CuKα","","0.0287","0.0248","","","0.0578","0.0616","","","","","","1.122","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560030","8.0106","0.0007","12.2124","0.0012","19.0728","0.0018","99.359","0.003","93.578","0.003","101.894","0.003","1792.6","0.3","110","2","110","","","","","","","","","9","P -1","-P 1","2","","","","- C36 H32 Au B2 Cl2 F8 O P S -","- C36 H32 Au B2 Cl2 F8 O P S -","- C72 H64 Au2 B4 Cl4 F16 O2 P2 S2 -","2","1","","Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.","Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity","Chemical Science","2021","12","11","3929","3936","10.1039/D0SC05777K","","x-ray","0.71073","MoKα","","0.0489","0.0341","","","0.0623","0.0671","","","","","","1.04","","","","has coordinates","263702","2021-04-05","14:26:50",""
"1560031","10.5444","0.0003","18.4631","0.0004","31.5083","0.0007","90","","90","","90","","6134.1","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1","1","","- C52 H96 O Si8 U2 -","- C52 H96 O Si8 U2 -","- C208 H384 O4 Si32 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0317","0.0287","","","0.0619","0.0637","","","","","","1.029","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560032","17.5935","0.0003","9.977","0.0002","18.6747","0.0004","90","","110.001","0.002","90","","3080.27","0.11","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5","5","","- C26 H50 O Si4 U -","- C26 H50 O Si4 U -","- C104 H200 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0366","0.0358","","","0.0954","0.0967","","","","","","1.076","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560033","20.3708","0.0002","20.3708","0.0002","16.6734","0.0003","90","","90","","90","","6918.95","0.16","99.9","0.5","99.9","0.5","","","","","","","","5","P -4","P -4","81","2 and 3","2 and 3","","- C58.34 H113.47 O Si9 U2 -","- C58.34 H113.46 O Si9 U2 -","- C233.36 H453.84 O4 Si36 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0681","0.0658","","","0.1594","0.1616","","","","","","1.076","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560034","26.7057","0.0003","15.99077","0.00015","26.5612","0.0004","90","","117.35","0.0017","90","","10074.9","0.3","99.9","0.9","99.9","0.9","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H168 Si12 U2 -","- C84 H168 Si12 U2 -","- C336 H672 Si48 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0581","0.05","","","0.1241","0.1306","","","","","","1.061","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560035","31.8409","0.0002","31.8409","0.0002","11.0234","0.0001","90","","90","","90","","11176","0.14","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","3","C24H44Si4U","","- C24 H44 Si4 U -","- C24 H44 Si4 U -","- C384 H704 Si64 U16 -","16","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0313","0.0266","","","0.0591","0.0617","","","","","","1.026","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560036","11.40224","0.00011","16.98119","0.00018","17.03377","0.00015","90","","90","","90","","3298.14","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2","C28H52OSi4U","","- C28 H52 O Si4 U -","- C28 H52 O Si4 U -","- C112 H208 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0281","0.0273","","","0.0641","0.0647","","","","","","1.023","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560037","7.5552","0.0005","9.5169","0.0006","11.8279","0.0006","76.651","0.005","84.11","0.005","72.543","0.006","788.85","0.09","150","0.1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H48 N4 P2 -","- C34 H48 N4 P2 -","- C34 H48 N4 P2 -","1","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","1.54184","CuKα","","0.0396","0.0377","","","0.102","0.1039","","","","","","1.05","","","","has coordinates","263682","2021-04-05","14:18:28",""
"1560038","25.072","0.0015","9.1667","0.0004","19.7603","0.0011","90","","99.889","0.006","90","","4474","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H58 N4 Si2 -","- C48 H58 N4 Si2 -","- C192 H232 N16 Si8 -","4","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","0.71073","MoKα","","0.1185","0.0632","","","0.1412","0.1746","","","","","","1.023","","","","has coordinates,has disorder","263682","2021-04-05","14:18:36",""
"1560039","10.1955","0.0003","10.3773","0.0003","16.0898","0.0006","76.412","0.003","80.446","0.003","88.451","0.003","1631.6","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N4 Ni P2 -","- C34 H48 N4 Ni P2 -","- C68 H96 N8 Ni2 P4 -","2","1","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","","1.54184","CuKα","","0.0348","0.0326","","","0.0856","0.087","","","","","","1.05","","","","has coordinates","263682","2021-04-05","14:18:39",""
"1560040","9.1662","0.0005","26.4418","0.0013","9.8935","0.0006","90","","90.567","0.005","90","","2397.8","0.2","150","2","150","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C55 H66 N4 Ni Si2 -","- C55 H66 N4 Ni Si2 -","- C110 H132 N8 Ni2 Si4 -","2","0.5","","Lücke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Boosting homogeneous chemoselective hydrogenation of olefins mediated by a bis(silylenyl)terphenyl-nickel(0) pre-catalyst","Chemical Science","2021","12","8","2909","2915","10.1039/D0SC06471H","","x-ray","1.54184","CuKα","","0.1221","0.0982","","","0.2212","0.2417","","","","","","1.194","","","","has coordinates,has disorder","263682","2021-04-05","14:18:47",""
"1560041","7.7162","0.0008","8.9727","0.0009","16.9089","0.0017","86.559","0.006","78.838","0.006","66.314","0.005","1051.59","0.19","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C40 H44 N8 O16 -","2","2","YC5029","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0673","0.0477","","","0.1004","0.1272","","","","","","1.052","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560042","7.658","0.002","9.277","0.003","15.152","0.005","79.304","0.006","82.008","0.006","65.214","0.005","958","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N4 O4 -","- C18 H23 N4 O4 -","- C36 H46 N8 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.127","0.0781","","","0.2296","0.2532","","","","","","1.109","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560043","9.2447","0.0009","14.4694","0.0013","19.3202","0.0018","93.232","0.007","102.634","0.007","97.795","0.007","2488.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3.99 -","- C32 H23 N3 O3.9875 -","- C128 H92 N12 O15.95 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.089","0.0567","","","0.1419","0.1588","","","","","","1.035","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560044","8.7482","0.0014","14.926","0.003","10.2464","0.0017","90","","110.165","0.008","90","","1255.9","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0924","0.0566","","","0.162","0.1989","","","","","","1.02","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560045","7.7638","0.0014","8.5897","0.0015","12.723","0.002","105.585","0.007","102.978","0.007","95.062","0.007","786.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C38 H30 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.089","0.053","","","0.1414","0.1769","","","","","","1.035","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560046","7.3217","0.0008","11.6513","0.0013","13.9987","0.0016","105.915","0.007","102.665","0.007","91.242","0.006","1116.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N5 O4 -","- C26 H21 N5 O4 -","- C52 H42 N10 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0519","0.0397","","","0.0945","0.1041","","","","","","1.045","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560047","7.4323","0.001","9.1138","0.0012","14.562","0.002","106.397","0.007","103.133","0.007","90.486","0.006","918.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 N8 O8 -","- C42 H34 N8 O8 -","- C42 H34 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0582","0.0453","","","0.1266","0.1424","","","","","","1.07","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560048","17.802","0.003","7.5355","0.0011","12.5671","0.0019","90","","91.187","0.006","90","","1685.5","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1016","0.0736","","","0.1832","0.1989","","","","","","1.086","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560049","17.9122","0.0013","7.4259","0.0005","12.1765","0.0008","90","","92.337","0.007","90","","1618.3","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0563","0.0425","","","0.1008","0.1078","","","","","","1.027","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560050","18.213","0.003","7.2967","0.0013","11.94","0.002","90","","92.967","0.007","90","","1584.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O4 -","- C16 H13 N5 O4 -","- C64 H52 N20 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0743","0.0577","","","0.1393","0.1492","","","","","","1.039","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560051","7.7563","0.0012","8.1082","0.0013","16.24","0.003","97.387","0.007","95.164","0.007","95.007","0.007","1003.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N5 O4 -","- C20 H25 N5 O4 -","- C40 H50 N10 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0722","0.0557","","","0.1332","0.1444","","","","","","1.077","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560052","10.1301","0.0013","12.6967","0.0017","10.3338","0.0014","90","","99.17","0.007","90","","1312.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0457","0.0382","","","0.0898","0.0938","","","","","","1.034","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560053","7.7925","0.0013","12.885","0.002","12.398","0.002","90","","104.054","0.007","90","","1207.6","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H26 N3 O4 -","- C29 H26 N3 O4 -","- C58 H52 N6 O8 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1464","0.0905","","","0.2407","0.276","","","","","","1.051","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560054","13.337","0.003","13.504","0.003","16.069","0.003","75.831","0.005","66.422","0.005","67.934","0.005","2442.9","0.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H50 N6 O8 -","- C58 H50 N6 O8 -","- C116 H100 N12 O16 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.2019","0.0873","","","0.2244","0.2836","","","","","","1.039","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560055","7.5319","0.0007","8.6425","0.0008","15.3925","0.0014","78.729","0.006","75.782","0.005","89.099","0.006","951.99","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H46 N8 O8 -","- C40 H46 N8 O8 -","- C40 H46 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0526","0.0432","","","0.114","0.1237","","","","","","1.066","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560056","7.4104","0.0007","8.8964","0.0009","15.7722","0.0015","95.531","0.007","101.446","0.007","111.676","0.008","930.47","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 N8 O8 -","- C38 H42 N8 O8 -","- C38 H42 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0682","0.0517","","","0.1371","0.1503","","","","","","1.055","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560057","7.6512","0.0011","8.9495","0.0013","18.121","0.003","87.883","0.006","78.725","0.006","65.728","0.005","1108","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N3 O4 S2 -","- C22 H23 N3 O4 S2 -","- C44 H46 N6 O8 S4 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0892","0.0671","","","0.1878","0.2055","","","","","","1.066","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560058","7.684","0.0018","9.266","0.002","18.043","0.004","96.343","0.007","94.419","0.007","107.054","0.007","1212.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N6 O8 -","- C62 H50 N6 O8 -","- C62 H50 N6 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.1418","0.0855","","","0.2084","0.2544","","","","","","0.95","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560059","7.7634","0.0012","8.9486","0.0014","16.368","0.003","83.021","0.006","82.842","0.006","88.111","0.006","1119.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H52 N8 O8 -","- C50 H52 N8 O8 -","- C50 H52 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0865","0.063","","","0.1944","0.2061","","","","","","1.105","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560060","7.5543","0.0017","8.914","0.002","14.713","0.003","85.797","0.007","88.497","0.006","89.487","0.006","987.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N8 O8 -","- C42 H42 N8 O8 -","- C42 H42 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1221","0.0629","","","0.1624","0.1925","","","","","","1.032","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560061","7.504","0.003","9.428","0.004","14.102","0.006","94.052","0.008","91.192","0.007","90.498","0.008","994.9","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N8 O8 -","- C42 H40 N8 O8 -","- C42 H40 N8 O8 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.2708","0.0931","","","0.1895","0.2601","","","","","","0.944","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560062","7.489","0.003","9.107","0.003","14.187","0.005","97.784","0.007","93.611","0.007","90.872","0.006","956.5","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O8 S2 -","- C40 H40 N6 O8 S2 -","- C40 H40 N6 O8 S2 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.1682","0.089","","","0.2229","0.2651","","","","","","1.08","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560063","7.514","0.003","9.272","0.003","13.852","0.005","83.832","0.007","89.887","0.007","88.173","0.007","959","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 N6 O8 S2 -","- C40 H38 N6 O8 S2 -","- C40 H38 N6 O8 S2 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1301","0.0784","","","0.2175","0.2416","","","","","","1.108","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560064","7.4741","0.0015","9.2215","0.0019","14.295","0.003","96.245","0.007","92.609","0.007","92.314","0.007","977.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H41 N7 O8 S -","- C41 H41 N7 O8 S -","- C41 H41 N7 O8 S -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0973","0.0697","","","0.1577","0.1704","","","","","","1.134","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560065","7.4078","0.0012","9.3192","0.0015","13.815","0.002","94.239","0.007","91.445","0.006","90.299","0.006","950.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","- C41 H39 N7 O8 S -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0971","0.058","","","0.1265","0.1459","","","","","","1.046","","","","has coordinates,has disorder","262771","2021-03-05","18:43:31",""
"1560066","9.302","0.003","9.394","0.002","17.66","0.006","90","","104.075","0.016","90","","1496.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 N2 O2 -","- C14 H16 Cl2 N2 O2 -","- C56 H64 Cl8 N8 O8 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1639","0.0791","","","0.1969","0.339","","","","","","1.012","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560067","10.807","0.005","12.145","0.005","12.466","0.006","108.22","0.008","104.061","0.007","101.072","0.007","1442.4","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H48 Cl4 N10 O4 -","- C72 H48 Cl4 N10 O4 -","- C72 H48 Cl4 N10 O4 -","1","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1675","0.088","","","0.2076","0.2692","","","","","","0.974","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560068","8.188","0.012","15.73","0.02","11.247","0.016","90","","110.491","0.016","90","","1357","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O2 -","- C12 H12 Cl2 N2 O2 -","- C48 H48 Cl8 N8 O8 -","4","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0925","0.0666","","","0.1824","0.2057","","","","","","1.04","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560069","42.727","0.011","8.899","0.003","22.92","0.006","90","","114.062","0.008","90","","7958","4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 Cl4 N4 O4 -","- C44 H42 Cl4 N4 O4 -","- C352 H336 Cl32 N32 O32 -","8","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71073","MoKα","","0.0929","0.0525","","","0.1038","0.117","","","","","","1.019","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560070","33.873","0.007","10.374","0.002","18.332","0.004","90","","91.186","0.006","90","","6440","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H54 Cl4 N4 O4 -","- C84 H54 Cl4 N4 O4 -","- C336 H216 Cl16 N16 O16 -","4","0.5","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.201","0.0776","","","0.161","0.205","","","","","","1.048","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560071","8.8453","0.0013","10.4891","0.0015","12.694","0.0019","94.129","0.007","94.866","0.007","98.239","0.007","1157.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C56 H44 Cl4 N4 O4 -","2","1","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.0599","0.0428","","","0.1188","0.1471","","","","","","1.078","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560072","17.219","0.005","22.693","0.007","18.331","0.005","90","","91.312","0.006","90","","7161","4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H66 Cl8 N8 O8 -","- C80 H66 Cl8 N8 O8 -","- C320 H264 Cl32 N32 O32 -","4","2","","Rajkumar, Madhu; Desiraju, Gautam R.","Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol","IUCrJ","2021","8","2","178","185","10.1107/S2052252520016589","","","0.71075","MoKα","","0.1864","0.1229","","","0.3145","0.359","","","","","","1.026","","","","has coordinates","262771","2021-03-05","18:43:31",""
"1560073","5.656","0.0003","8.202","0.0004","16.2422","0.0009","90","","92.949","0.002","90","","752.49","0.07","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0893","0.0562","","","0.1274","0.1487","","","","","","1.049","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560074","6.5109","0.0008","8.5749","0.0012","26.234","0.004","90","","90","","90","","1464.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-3-benzyl-4-benzylidenetetrahydrofuran-3-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0752","0.0551","","","0.1249","0.1397","","","","","","1.028","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560075","8.9958","0.0001","12.8818","0.0001","19.2304","0.0002","90","","96.615","0.001","90","","2213.62","0.04","150.01","0.15","150.01","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Al N2 O6 -","- C23 H27 Al N2 O6 -","- C92 H108 Al4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0335","0.0312","","","0.0812","0.083","","","","","","1.045","","","","has coordinates","263610","2021-04-05","13:49:35",""
"1560076","8.9996","0.0001","12.8364","0.0002","19.0472","0.0003","90","","96.745","0.001","90","","2185.15","0.05","150","0.16","150","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Co N2 O6 -","- C23 H27 Co N2 O6 -","- C92 H108 Co4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0375","0.0337","","","0.0807","0.083","","","","","","1.072","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560077","7.869","0.0001","15.7511","0.0002","17.6113","0.0003","90","","90","","90","","2182.84","0.05","149.98","0.18","149.98","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Al N2 O4 -","- C23 H29 Al N2 O4 -","- C92 H116 Al4 N8 O16 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.0957","0.098","","","","","","1.039","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560078","17.214","0.002","14.4042","0.0016","5.5668","0.0007","90","","90","","90","","1380.3","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-benzoylcarbazole","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","1.54178","CuK\α","","0.085","0.051","","0.074","","0.059","","","0.972","","","0.968","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560079","11.8585","0.0009","10.3783","0.0007","22.8559","0.0016","90","","90","","90","","2812.9","0.3","296","2","296.23","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C152 H96 F8 N8 O8 -","8","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.076","0.0459","","","0.1022","0.1179","","","","","","1.041","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560080","14.608","0.003","5.4287","0.0011","18.371","0.004","90","","107.996","0.005","90","","1385.6","0.5","293","2","293.57","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.1343","0.0551","","","0.1186","0.1624","","","","","","1.035","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560081","8.9406","0.0017","22.597","0.004","7.0302","0.0012","90","","91.313","0.005","90","","1419.9","0.4","298","2","297.79","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F N O -","- C19 H12 F N O -","- C76 H48 F4 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","0.71073","MoKα","","0.0879","0.0594","","","0.139","0.1499","","","","","","1.144","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560082","14.7734","0.0002","17.4936","0.0003","18.6427","0.0003","90","","90.2338","0.0013","90","","4817.98","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H63 N5 O4 -","- C56 H63 N5 O4 -","- C224 H252 N20 O16 -","4","1","","Villarón, David; Siegler, Maxime A.; Wezenberg, Sander J.","A photoswitchable strapped calix[4]pyrrole receptor: highly effective chloride binding and release","Chemical Science","2021","12","9","3188","3193","10.1039/D0SC06686A","","","1.54178","CuKα","","0.0483","0.0408","","","0.1029","0.1089","","","","","","1.038","","","","has coordinates,has disorder","263698","2021-04-05","14:23:02",""
"1560083","16.1432","0.0003","18.3888","0.0004","24.571","0.0006","94.772","0.002","109.004","0.002","106.661","0.002","6480.2","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H98 Mn4 Mo9 N3 O43 P5 -","- C108 H98 Mn4 Mo9 N3 O43 P5 -","- C216 H196 Mn8 Mo18 N6 O86 P10 -","2","1","","Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke","A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters","Chemical Science","2021","12","4","1240","1244","10.1039/D0SC06133F","","","0.71073","MoKα","","0.1362","0.0911","","","0.2306","0.2609","","","","","","1.081","","","","has coordinates","262533","2021-03-05","01:33:02",""
"1560084","17.3006","0.0004","19.39","0.0004","20.7716","0.0004","95.31","0.002","112.975","0.002","99.33","0.002","6236.6","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","- C174 H174 Cl20 Mn6 Mo18 O74 P8 -","1","0.5","","Li, Chifeng; Jimbo, Atsuhiro; Yamaguchi, Kazuya; Suzuki, Kosuke","A protecting group strategy to access stable lacunary polyoxomolybdates for introducing multinuclear metal clusters","Chemical Science","2021","12","4","1240","1244","10.1039/D0SC06133F","","","0.71073","MoKα","","0.0971","0.0655","","","0.1691","0.1928","","","","","","1.068","","","","has coordinates","262533","2021-03-05","01:33:02",""
"1560085","8.01647","0.00019","16.3246","0.0004","15.049","0.0004","90","","92.985","0.002","90","","1966.73","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Ir -","- C22 H33 Ir -","- C88 H132 Ir4 -","4","1","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C‒C bonds by iridium: key roles of benzylic C‒H activation and metal‒metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","1.54184","CuKα","","0.0379","0.0342","","","0.0893","0.0911","","","","","","1.084","","","","has coordinates","263676","2021-04-05","14:17:05",""
"1560086","22.2884","0.0004","22.2818","0.0004","26.1267","0.0005","90","","97.5244","0.0017","90","","12863.5","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H23 Ir -","- C20 H23 Ir -","- C640 H736 Ir32 -","32","8","","Tian, Yancong; Jakoobi, Martin; Boulatov, Roman; Sergeev, Alexey G.","Selective cleavage of unactivated arene ring C–C bonds by iridium: key roles of benzylic C–H activation and metal–metal cooperativity","Chemical Science","2021","12","10","3568","3579","10.1039/D0SC05900E","","x-ray","0.71073","MoKα","","0.0433","0.0264","","","0.0473","0.053","","","","","","0.998","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560087","9.5822","0.0002","13.6635","0.0003","15.4413","0.0003","98.426","0.002","105.508","0.002","99.504","0.002","1882.26","0.07","150","2","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C83 H116 N4 O4 Zn2 -","- C83 H116 N4 O4 Zn2 -","- C83 H116 N4 O4 Zn2 -","1","0.5","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","0.71073","MoKα","","0.0539","0.0363","","","0.0848","0.0939","","","","","","1.052","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560088","9.9229","0.0004","14.2743","0.0005","20.5348","0.0005","90","","95.319","0.003","90","","2896.08","0.17","150","2","150","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl2 Mg N2 O2 -","- C30 H36 Cl2 Mg N2 O2 -","- C120 H144 Cl8 Mg4 N8 O8 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","0.71073","MoKα","","0.0709","0.0524","","","0.1352","0.1483","","","","","","1.043","","","","has coordinates","262728","2021-03-05","02:27:50",""
"1560089","9.7766","0.0003","31.3712","0.0009","25.4191","0.0005","90","","96.789","0.002","90","","7741.5","0.4","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H118 Mg2 N4 O4 -","- C84 H118 Mg2 N4 O4 -","- C336 H472 Mg8 N16 O16 -","4","0.5","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.1026","0.0725","","","0.1852","0.2051","","","","","","1.031","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560090","10.0556","0.0003","14.2825","0.0003","20.688","0.0004","90","","95.646","0.002","90","","2956.78","0.12","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br2 N2 O2 Zn -","- C30 H36 Br2 N2 O2 Zn -","- C120 H144 Br8 N8 O8 Zn4 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.0426","0.0408","","","0.1003","0.1019","","","","","","1.046","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560091","10.0761","0.0005","14.3226","0.0007","20.665","0.004","90","","96.011","0.01","90","","2965.9","0.6","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br2 Mg N2 O2 -","- C30 H36 Br2 Mg N2 O2 -","- C120 H144 Br8 Mg4 N8 O8 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.055","0.0495","","","0.1346","0.1409","","","","","","1.038","","","","has coordinates,has disorder","262728","2021-03-05","02:27:50",""
"1560092","10.872","0.0012","11.0298","0.001","13.0224","0.0012","112.876","0.009","100.644","0.008","93.112","0.008","1400.2","0.3","150","2","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H36 Cl2 Mg2 N2 O2 -","- C27 H36 Cl2 Mg2 N2 O2 -","- C54 H72 Cl4 Mg4 N4 O4 -","2","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.1275","0.0768","","","0.1801","0.2117","","","","","","1.021","","","","has coordinates","262728","2021-03-05","02:27:50",""
"1560093","9.8683","0.0008","14.2238","0.0012","20.5519","0.0009","90","","94.567","0.005","90","","2875.6","0.4","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Cl2 N2 O2 Zn -","- C30 H36 Cl2 N2 O2 Zn -","- C120 H144 Cl8 N8 O8 Zn4 -","4","1","","Payne, Jack; McKeown, Paul; Driscoll, Oliver; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Make or break: Mg(ii)- and Zn(ii)-catalen complexes for PLA production and recycling of commodity polyesters","Polymer Chemistry","2021","12","8","1086","1096","10.1039/D0PY01519A","","x-ray","1.54184","CuKα","","0.0721","0.0563","","","0.1353","0.1474","","","","","","1.032","","","","has coordinates","262728","2021-03-05","02:27:50",""
"1560094","8.0941","0.0008","17.5936","0.0015","32.602","0.003","90","","90","","90","","4642.7","0.7","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TB-343","","","- C51 H48 O6 S -","- C51 H48 O6 S -","- C204 H192 O24 S4 -","4","1","","Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry","Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release","Chemical Science","2021","12","10","3651","3659","10.1039/D0SC04981F","","","0.71073","MoKα","","0.0792","0.0526","","","0.1203","0.1335","","","","","","1.058","","","","has coordinates","263679","2021-04-05","14:17:42",""
"1560095","16.8853","0.0007","15.2569","0.0007","15.7122","0.0008","90","","91.701","0.001","90","","4046","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 B N6 O3 P2 Pd W -","- C36 H53 B N6 O3 P2 Pd W -","- C144 H212 B4 N24 O12 P8 Pd4 W4 -","4","1","","Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.","Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”","Chemical Science","2021","12","10","3682","3692","10.1039/D0SC06114J","","","0.71073","MoKα","","0.0609","0.0386","","","0.0724","0.0813","","","","","","0.984","","","","has coordinates","263674","2021-04-05","14:16:41",""
"1560096","8.2012","0.0002","37.372","0.0008","10.9355","0.0002","90","","103.388","0.001","90","","3260.59","0.12","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 O3 P2 Pd W -","- C32 H48 O3 P2 Pd W -","- C128 H192 O12 P8 Pd4 W4 -","4","1","","Osipova, Elena S.; Gulyaeva, Ekaterina S.; Gutsul, Evgenii I.; Kirkina, Vladislava A.; Pavlov, Alexander A.; Nelyubina, Yulia V.; Rossin, Andrea; Peruzzini, Maurizio; Epstein, Lina M.; Belkova, Natalia V.; Filippov, Oleg A.; Shubina, Elena S.","Bifunctional activation of amine-boranes by the W/Pd bimetallic analogs of “frustrated Lewis pairs”","Chemical Science","2021","12","10","3682","3692","10.1039/D0SC06114J","","","1.54178","CuKα","","0.0626","0.0427","","","0.091","0.1","","","","","","1.03","","","","has coordinates","263674","2021-04-05","14:16:42",""
"1560097","14.1856","0.0008","17.0247","0.0008","9.5406","0.0005","90","","94.364","0.003","90","","2297.4","0.2","190","2","190","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 B F2 N O5 -","- C21 H30 B F2 N O5 -","- C84 H120 B4 F8 N4 O20 -","4","1","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1197","0.0672","","","0.1819","0.2237","","","","","","1.006","","","","has coordinates","263664","2021-04-05","14:11:48",""
"1560098","9.2163","0.0004","11.7129","0.0005","13.3216","0.0005","90","","108.006","0.001","90","","1367.63","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 N2 O6 Rh2 -","- C22 H34 Cl2 N2 O6 Rh2 -","- C44 H68 Cl4 N4 O12 Rh4 -","2","0.5","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","0.71073","MoKα","","0.036","0.0292","","","0.0764","0.0804","","","","","","1.118","","","","has coordinates","263664","2021-04-05","14:11:49",""
"1560099","9.9241","0.0003","11.0168","0.0004","24.6334","0.0009","90","","90","","90","","2693.21","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","2","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1014","0.0607","","","0.1636","0.2009","","","","","","1.018","","","","has coordinates,has disorder","263664","2021-04-05","14:11:49",""
"1560100","9.3347","0.0013","10.0778","0.0014","16.957","0.003","90","","101.582","0.003","90","","1562.7","0.4","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","0.71075","MoKα","","0.0487","0.0354","","","0.0765","0.0836","","","","","","1.074","","","","has coordinates","263690","2021-04-05","14:20:23",""
"1560101","10.294","0.003","16.632","0.004","11.319","0.003","90","","112.274","0.002","90","","1793.3","0.8","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O -","- C26 H20 O -","- C104 H80 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","0.71075","MoKα","","0.0348","0.0332","","","0.0833","0.0849","","","","","","1.04","","","","has coordinates","263690","2021-04-05","14:20:24",""
"1560102","7.4982","0.0001","19.0172","0.0004","14.6488","0.0003","90","","99.675","0.007","90","","2059.13","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 B F4 O -","- C26 H21 B F4 O -","- C104 H84 B4 F16 O4 -","4","1","","Uraguchi, Daisuke; Kato, Kohsuke; Ooi, Takashi","o-Quinone methide with overcrowded olefin component as a dehydridation catalyst under aerobic photoirradiation conditions","Chemical Science","2021","12","8","2778","2783","10.1039/D0SC06240E","","","1.54187","CuKα","","0.0589","0.0408","","","0.1024","0.11","","","","","","1.054","","","","has coordinates","263690","2021-04-05","14:20:24",""
"1560103","8.441","0.0001","8.6899","0.0001","11.8177","0.0002","97.574","0.001","92.137","0.001","91.817","0.001","858.1","0.02","20","2","20","2","","","","","","","","6","P -1","-P 1","2","","Ammonium nickel hexathiocyanatobismuthate","","- C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -","- C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 -","- C12 H8 Bi2 N14 Ni2 S12 -","3","1.5","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.94558","neutrons","","0.046","0.0448","","","0.1111","0.1117","","","","","","1.151","","","","has coordinates","263673","2021-04-05","14:16:33",""
"1560104","8.4472","0.0012","8.7119","0.001","11.9671","0.0009","97.041","0.006","90.364","0.007","91.558","0.009","873.67","0.17","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","ammonium nickel hexathiocyanatobismuthate","","- C4 H2.67 Bi0.67 N4.67 Ni0.67 S4 -","- C4 H2.66667 Bi0.666667 N4.66667 Ni0.666667 S4 -","- C12 H8 Bi2 N14 Ni2 S12 -","3","1.5","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.9455","neutrons","","0.114","0.0963","","","0.2845","0.3111","","","","","","1.266","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560105","6.9352","0.0006","7.0096","0.0005","12.3675","0.0007","90.894","0.005","104.311","0.007","101.787","0.007","568.89","0.08","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","guanidinium thiocyanate","","- C2 H6 N4 S -","- C2 H6 N4 S -","- C8 H24 N16 S4 -","4","2","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0984","0.0898","","","0.2571","0.2627","","","","","","1.126","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560106","12.216","0.0001","36.8375","0.0004","24.5263","0.0003","90","","90.224","0.001","90","","11036.9","0.2","120","0.2","120","0.2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Methylammonium nickel hexathiocyanatobismuthate","","- C7 Bi N7 Ni S6 -","- C7 Bi N7 Ni S6 -","- C168 Bi24 N168 Ni24 S144 -","24","6","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0517","0.0422","","","0.0916","0.0962","","","","","","1.114","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1560107","8.4699","0.0002","8.6913","0.0002","11.9058","0.0003","97.187","0.002","91.149","0.002","91.61","0.002","868.96","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","ammonium nickel hexathiocyanatobismuthate","","- C6 H4 Bi N7 Ni S6 -","- C6 H4 Bi N7 Ni S6 -","- C12 H8 Bi2 N14 Ni2 S12 -","2","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","x-ray","1.54184","CuKα","","0.0233","0.0228","","","0.0644","0.0652","","","","","","1.096","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560108","8.5073","0.0002","8.5686","0.0002","11.9651","0.0003","97.573","0.001","89.781","0.001","90.997","0.001","864.46","0.04","180","","180","","","","","","","","","6","P -1","-P 1","2","","potassium nickel hexathiocyanatobismuthate","","- C6 Bi K N6 Ni S6 -","- C6 Bi K N6 Ni S6 -","- C12 Bi2 K2 N12 Ni2 S12 -","2","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.71073","MoKα","","0.0835","0.0568","","","0.1322","0.1452","","","","","","1.075","","","","has coordinates","263673","2021-04-05","14:16:34",""
"1560109","12.12528","0.00002","12.12528","0.00002","12.12528","0.00002","90","","90","","90","","1782.69","0.005","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","triguanidinium hexanickel(II) pentahexathiocyanatobismuthate","","- C0.92 Bi0.15 N1.25 Ni0.17 S0.86 -","- C0.924333 Bi0.15 N1.25 Ni0.166667 S0.86 -","- C22.184 Bi3.6 N30 Ni4 S20.64 -","24","1","","Lee, Jie Yie; Ling, Sanliang; Argent, Stephen P.; Senn, Mark S.; Cañadillas-Delgado, Laura; Cliffe, Matthew J.","Controlling multiple orderings in metal thiocyanate molecular perovskites Ax{Ni[Bi(SCN)6]}","Chemical Science","2021","12","10","3516","3525","10.1039/D0SC06619B","","","0.6889","","","0.0419","0.0263","","","0.084","0.0866","","","","","","1.043","","","","has coordinates,has disorder","263673","2021-04-05","14:16:34",""
"1560111","11.4716","0.0004","12.6646","0.0005","12.7092","0.0005","85.944","0.001","86.346","0.001","68.446","0.001","1711.6","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H86 Li4 O2 P2 Si4 -","- C74 H86 Li4 O2 P2 Si4 -","- C74 H86 Li4 O2 P2 Si4 -","1","0.5","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.08","0.0579","","","0.1392","0.1479","","","","","","1.074","","","","has coordinates","263678","2021-04-05","14:17:35",""
"1560112","10.6448","0.0013","12.9069","0.0016","26.22","0.003","90","","92.664","0.004","90","","3598.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 O5 P2 Si2 W -","- C37 H32 O5 P2 Si2 W -","- C148 H128 O20 P8 Si8 W4 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.0322","0.0253","","","0.0554","0.0575","","","","","","1.049","","","","has coordinates","263678","2021-04-05","14:17:35",""
"1560113","12.2157","0.0004","10.4934","0.0003","22.6538","0.0007","90","","99.262","0.002","90","","2866","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 P2 Si2 -","- C32 H32 P2.0001 Si2 -","- C128 H128 P8.0004 Si8 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.0571","0.0499","","","0.1167","0.1205","","","","","","1.108","","","","has coordinates,has disorder","263678","2021-04-05","14:17:35",""
"1560114","10.1186","0.0008","18.8541","0.0015","27.477","0.002","90","","91.367","0.003","90","","5240.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Cl2 O4 P2 Si4 -","- C53 H60 Cl2 O4 P2 Si4 -","- C212 H240 Cl8 O16 P8 Si16 -","4","1","","Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner","Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry","Chemical Science","2021","12","10","3460","3474","10.1039/D0SC06155G","","","0.71073","MoKα","","0.1072","0.0545","","","0.1149","0.1346","","","","","","1.023","","","","has coordinates,has disorder","263678","2021-04-05","14:17:35",""
"1560115","18.363","0.005","3.83","0.0009","14.745","0.003","90","","90","","90","","1037","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Mo N4 O4 -","- C6 H6 Mo N4 O4 -","- C24 H24 Mo4 N16 O16 -","4","0.5","","Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands","Catalysis Science & Technology","2021","11","6","2214","2228","10.1039/D1CY00055A","","","0.71073","MoKα","","0.1075","0.0574","","","0.123","0.1405","","","","","","1.188","","","","has coordinates","263612","2021-04-05","13:49:54",""
"1560116","19.796","0.005","8.413","0.002","13.102","0.003","90","","90","","90","","2182.1","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H32 Cl5 N4 Ti2 -","- C12 H32 Cl5 N4 Ti2 -","- C48 H128 Cl20 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0559","0.0507","","","0.1171","0.1223","","","","","","1.096","","","","has coordinates","263671","2021-04-05","14:16:06",""
"1560117","13.348","0.003","13.855","0.003","17.166","0.004","90","","112.468","0.004","90","","2933.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Cl10 N4 Ti2 -","- C14 H36 Cl10 N4 Ti2 -","- C56 H144 Cl40 N16 Ti8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0622","0.0562","","","0.1053","0.1084","","","","","","1.158","","","","has coordinates,has disorder","263671","2021-04-05","14:16:07",""
"1560118","10.972","0.004","12.308","0.004","12.075","0.004","90","","101.587","0.006","90","","1597.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl3 N2 O Ti -","- C10 H24 Cl3 N2 O Ti -","- C40 H96 Cl12 N8 O4 Ti4 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0693","0.055","","","0.1347","0.1447","","","","","","1.083","","","","has coordinates,has disorder","263671","2021-04-05","14:16:07",""
"1560119","23.348","0.011","8.843","0.004","12.648","0.006","90","","121.198","0.006","90","","2233.7","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H34 Cl4 N4 Ti2 -","- C13 H34 Cl4 N4 Ti2 -","- C52 H136 Cl16 N16 Ti8 -","4","0.5","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0851","0.0768","","","0.1988","0.2057","","","","","","1.055","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560120","23.149","0.011","7.256","0.003","15.032","0.007","90","","111.169","0.006","90","","2354.5","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H16 Cl I N2 Zn -","- C6 H16 Cl I N2 Zn -","- C48 H128 Cl8 I8 N16 Zn8 -","8","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0263","0.0227","","","0.0602","0.0613","","","","","","1.039","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560121","11.494","0.002","13.09","0.002","14.921","0.003","90","","90","","90","","2245","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 I2 N4 Zn2 -","- C13 H34 I2 N4 Zn2 -","- C52 H136 I8 N16 Zn8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0415","0.0315","","","0.0581","0.063","","","","","","1.008","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560122","18.5604","0.0011","7.5949","0.0004","8.0212","0.0005","90","","96.383","0.005","90","","1123.69","0.11","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","vinpocetine oxalate","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.037","3.078","","","","","","","has coordinates","263692","2021-04-05","14:20:47",""
"1560123","17.9007","0.0002","6.3022","0.0001","20.9554","0.0002","90","","105.356","0.001","90","","2279.66","0.05","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0738","0.0745","","","","","","1.036","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560124","17.8855","0.0002","6.3218","0.0001","21.0313","0.0003","90","","105.346","0.001","90","","2293.19","0.06","110","0.1","110","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24.63 H29.26 N2 O6.32 -","- C24.63 H29.259 N2 O6.315 -","- C98.52 H117.036 N8 O25.26 -","4","1","","Arhangelskis, Mihails; Bučar, Dejan-Krešimir; Bordignon, Simone; Chierotti, Michele R.; Stratford, Samuel A.; Voinovich, Dario; Jones, William; Hasa, Dritan","Mechanochemical reactivity inhibited, prohibited and reversed by liquid additives: examples from crystal-form screens","Chemical Science","2021","12","9","3264","3269","10.1039/D0SC05071G","","x-ray","1.54184","CuKα","","0.0342","0.0335","","","0.0874","0.0882","","","","","","1.04","","","","has coordinates,has disorder","263692","2021-04-05","14:20:48",""
"1560125","8.9924","0.0001","19.5139","0.0002","23.2425","0.0002","90","","90","","90","","4078.52","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C192 H160 O32 -","8","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0754","0.067","","","0.1995","0.2077","","","","","","1.578","","","","has coordinates","263668","2021-04-05","14:13:47",""
"1560126","8.6935","0.0002","11.1218","0.0002","12.2142","0.0002","87.376","0.001","70.785","0.002","81.619","0.001","1103.26","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C50 H36 O4 -","2","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0607","0.0603","","","0.1552","0.1562","","","","","","1.079","","","","has coordinates","263668","2021-04-05","14:13:48",""
"1560127","11.127","0.002","15.964","0.003","16.195","0.003","73.91","0.03","72.41","0.03","73.02","0.03","2565.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20.5 Cl0.5 O S2 -","- C33 H20.5 Cl0.5 O S2 -","- C132 H82 Cl2 O4 S8 -","4","2","","Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei","Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators","Materials Horizons","2021","8","4","1207","1215","10.1039/D0MH01679A","","","1.54178","CuKα","","0.1718","0.1582","","","0.5024","0.5178","","","","","","4.515","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1560128","10.5404","0.0004","10.8365","0.0004","13.1815","0.0007","92.262","0.004","108.487","0.004","97.789","0.003","1409.28","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H18 O S4 -","- C34 H17.5 O S4 -","- C68 H35 O2 S8 -","2","1","","Wei, Lai; Huang, Hongfeng; Gao, Chunmei; Liu, Danqing; Wang, Lei","Novel butterfly-shaped organic semiconductor and single-walled carbon nanotube composites for high performance thermoelectric generators","Materials Horizons","2021","8","4","1207","1215","10.1039/D0MH01679A","","x-ray","1.54184","CuKα","","0.0523","0.0483","","","0.1215","0.1253","","","","","","1.042","","","","has coordinates,has disorder","264969","2021-05-05","09:08:53",""
"1560129","7.2473","0.0001","12.2693","0.0002","10.9251","0.0001","90","","90.353","0.001","90","","971.43","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C44 H38 N2 O6 S2 Se2 -","2","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.54178","CuKα","","0.0306","0.0304","","","0.081","0.0812","","","","","","0.989","","","","has coordinates","263614","2021-04-05","13:50:08",""
"1560130","5.8297","0.0004","16.2078","0.001","20.9813","0.0013","90","","93.402","0.003","90","","1979","0.2","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C88 H76 N4 O12 S4 Se4 -","4","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.34139","GaKα","","0.065","0.0625","","","0.1592","0.1612","","","","","","1.045","","","","has coordinates","263614","2021-04-05","13:50:09",""
"1560131","19.932","0.004","4.461","0.0009","24.275","0.005","90","","97.73","0.03","90","","2138.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O10 -","- C23 H20 N4 O10 -","- C92 H80 N16 O40 -","4","1","","Xia, Yanming; Wei, Yuanfeng; Chen, Hui; Qian, Shuai; Zhang, Jianjun; Gao, Yuan","Competitive cocrystallization and its application in the separation of flavonoids","IUCrJ","2021","8","2","195","207","10.1107/S2052252520015997","","","0.71073","MoKα","","0.1382","0.0683","","","0.1569","0.1902","","","","","","1.002","","","","has coordinates","262770","2021-03-05","18:42:49",""
"1560132","11.7561","0.0006","21.9863","0.0011","14.0957","0.0007","90","","101.427","0.002","90","","3571.1","0.3","223","2","223","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","4","","Kim, Jun Gu; Lee, Jin Woo; Le, Thi Phuong Linh; Han, Jae Sang; Kwon, Haeun; Lee, Dongho; Hong, Jin Tae; Kim, Youngsoo; Lee, Mi Kyeong; Hwang, Bang Yeon","Diterpenoids and Diacetylenes from the Roots of <i>Aralia cordata</i> with Inhibitory Effects on Nitric Oxide Production.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c00842","","","1.54178","CuKα","","0.0315","0.0309","","","0.0813","0.0818","","","","","","1.125","","","","has coordinates","261149","2021-01-23","00:09:28",""
"1560135","22.99","0.005","45.82","0.009","40.8","0.008","90","","90.92","0.03","90","","42973","15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tetrasucc","","- C167 H154 Cl3 F4 N34 O30 -","- C167 H153.5 Cl3 F4 N34 O30 -","- C1336 H1228 Cl24 F32 N272 O240 -","8","2","","Mateus, Pedro; Jacquet, Antoine; Méndez-Ardoy, Alejandro; Boulloy, Alice; Kauffmann, Brice; Pecastaings, Gilles; Buffeteau, Thierry; Ferrand, Yann; Bassani, Dario M.; Huc, Ivan","Sensing a binding event through charge transport variations using an aromatic oligoamide capsule","Chemical Science","2021","12","10","3743","3750","10.1039/D0SC06060G","","","0.7227","synchrotron","","0.1869","0.1398","","","0.3874","0.4165","","","","","","1.524","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1560139","8.2116","0.0004","14.8475","0.0007","20.2921","0.0009","90","","96.28","0.004","90","","2459.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N O3 -","- C27 H43 N O3 -","- C108 H172 N4 O12 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1077","0.0932","","","0.2507","0.2764","","","","","","1.048","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560140","32.4579","0.0006","32.4579","0.0006","32.4579","0.0006","90","","90","","90","","34194.9","1.1","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C116 H190.67 K4 N4 O12 -","- C115.999 H190.665 K4 N4 O12 -","- C1391.99 H2287.98 K48 N48 O144 -","12","0.25","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0731","0.0603","","","0.1538","0.1655","","","","","","1.06","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560141","16.8366","0.0018","13.6239","0.0015","24.398","0.003","90","","91.454","0.002","90","","5594.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H94 Li2 N2 O7 -","- C58 H94 Li2 N2 O7 -","- C232 H376 Li8 N8 O28 -","4","0.5","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.054","0.0422","","","0.1045","0.1131","","","","","","1.032","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560142","16.206","0.0005","29.7416","0.0009","30.0188","0.0008","90","","102.473","0.002","90","","14127.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C144 H224 N6 Na12 O12 -","- C144 H224 N6 Na12 O12 -","- C576 H896 N24 Na48 O48 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1231","0.0704","","","0.1646","0.1959","","","","","","1.021","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560143","32.0084","0.0005","32.0084","0.0005","32.0084","0.0005","90","","90","","90","","32793.8","0.9","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C108 H172 N4 Na4 O12 -","- C108 H172 N4 Na4 O12 -","- C1296 H2064 N48 Na48 O144 -","12","0.25","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0367","0.0326","","","0.0727","0.0739","","","","","","0.973","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560144","25.5103","0.0018","27.8549","0.0017","16.3237","0.0011","90","","90.336","0.005","90","","11599.2","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gilliard_LAF48","","","- C115 H175 K10 N5 O10 -","- C115 H175 K10 N5 O10 -","- C460 H700 K40 N20 O40 -","4","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.1227","0.0981","","","0.2611","0.2963","","","","","","1.075","","","","has coordinates","263666","2021-04-05","14:13:08",""
"1560145","14.2409","0.0017","14.1749","0.0017","20.804","0.002","90","","104.449","0.004","90","","4066.7","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C77 H121 Li6 N3 O8 -","- C77 H121 Li6 N3 O8 -","- C154 H242 Li12 N6 O16 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","0.71073","MoKα","","0.1305","0.0713","","","0.1594","0.1863","","","","","","1.019","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560146","15.9758","0.0015","16.9105","0.0015","29.646","0.003","84.635","0.006","79.342","0.006","87.435","0.006","7833.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H210 Li12 N6 O12 -","- C138 H210 Li12 N6 O12 -","- C276 H420 Li24 N12 O24 -","2","1","","Freeman, Lucas A.; Obi, Akachukwu D.; Machost, Haleigh R.; Molino, Andrew; Nichols, Asa W.; Dickie, Diane A.; Wilson, David J. D.; Machan, Charles W.; Gilliard, Robert J.","Soluble, crystalline, and thermally stable alkali CO2− and carbonite (CO22−) clusters supported by cyclic(alkyl)(amino) carbenes","Chemical Science","2021","12","10","3544","3550","10.1039/D0SC06851A","","","1.54178","CuKα","","0.0792","0.057","","","0.1465","0.1613","","","","","","1.055","","","","has coordinates,has disorder","263666","2021-04-05","14:13:08",""
"1560151","12.3021","0.0011","7.9076","0.0007","18.7346","0.0017","90","","97.095","0.003","90","","1808.5","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N O2 S2 -","- C20 H20 N O2 S2 -","- C80 H80 N4 O8 S8 -","4","1","","Hu, Jiefeng; Yang, Xianyu; Shi, Shasha; Cheng, Bo; Luo, Xiaoling; Lan, Yu; Loh, Teck-Peng","Metal-free C(sp3)‒H functionalization of sulfonamides via strain-release rearrangement","Chemical Science","2021","12","11","4034","4040","10.1039/D0SC06603F","","","0.71073","MoKα","","0.0759","0.0538","","","0.1209","0.1322","","","","","","1.054","","","","has coordinates","263706","2021-04-05","14:28:01",""
"1560152","11.2754","0.0003","11.2786","0.0002","19.1955","0.0004","81.762","0.002","83.501","0.002","76.134","0.002","2337.6","0.09","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.034","0.0323","","","0.0829","0.0837","","","","","","1.076","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560153","11.3327","0.0002","11.4193","0.0002","19.3877","0.0004","82.951","0.002","80.729","0.002","77.436","0.002","2406.89","0.08","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.065","0.0597","","","0.1635","0.1678","","","","","","1.066","","","","has coordinates,has disorder","263699","2021-04-05","14:25:32",""
"1560154","11.2781","0.0002","11.2893","0.0002","19.213","0.0003","83.432","0.001","81.586","0.001","76.335","0.001","2343.29","0.07","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0328","0.031","","","0.0858","0.0872","","","","","","0.871","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560155","11.2958","0.0003","11.3414","0.0003","19.2872","0.0005","83.238","0.002","81.374","0.002","76.703","0.002","2368.53","0.11","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0392","0.037","","","0.0977","0.099","","","","","","1.075","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560156","11.3259","0.0003","11.3917","0.0003","19.3628","0.0005","83.024","0.002","80.932","0.002","77.121","0.002","2395.24","0.11","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0476","0.0439","","","0.1161","0.1185","","","","","","1.058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560157","10.2236","0.0007","25.2061","0.0018","13.5364","0.001","90","","110.914","0.002","90","","3258.5","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0916","0.0712","","","0.1775","0.193","","","","","","1.058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560158","10.2753","0.0009","25.224","0.002","13.5486","0.0011","90","","111.171","0.002","90","","3274.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0957","0.0767","","","0.1887","0.2102","","","","","","1.022","","","","has coordinates,has disorder","263699","2021-04-05","14:25:32",""
"1560159","10.3328","0.0007","25.4063","0.0017","13.6255","0.0009","90","","111.122","0.0014","90","","3336.6","0.4","250","2","250","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1027","0.0668","","","0.1847","0.2085","","","","","","1.067","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560160","10.361","0.004","25.435","0.01","13.645","0.006","90","","111.064","0.008","90","","3356","2","320","2","320","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.154","0.0804","","","0.2338","0.3065","","","","","","0.977","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560161","10.28","0.0006","25.269","0.0016","13.5675","0.0008","90","","111.092","0.0013","90","","3288.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0847","0.0607","","","0.1576","0.1737","","","","","","1.063","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560162","11.2892","0.0002","11.3208","0.0003","19.2519","0.0004","83.33","0.002","81.46","0.002","76.478","0.002","2357.22","0.09","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0376","0.0354","","","0.097","0.0988","","","","","","0.8828","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560163","11.3088","0.0003","11.3689","0.0003","19.3307","0.0004","83.1","0.002","81.166","0.002","76.913","0.002","2382.63","0.1","213","2","213","","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0444","0.0408","","","0.1048","0.107","","","","","","1.0297","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560164","9.844","0.0003","11.6767","0.0003","16.7383","0.0005","94.74","0.002","95.623","0.002","104.722","0.002","1840.28","0.09","333","2","333","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.081","0.0706","","","0.212","0.2246","","","","","","0.9914","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560165","11.3611","0.0002","11.5447","0.0003","19.4228","0.0005","82.91","0.002","80.543","0.002","77.861","0.002","2446.24","0.1","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0761","0.0658","","","0.1955","0.2053","","","","","","1.0375","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560166","9.8233","0.0003","11.6256","0.0003","16.7174","0.0005","94.917","0.002","95.464","0.002","104.784","0.003","1825.52","0.1","303","2","303","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0618","0.0546","","","0.1536","0.1587","","","","","","1.085","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560167","11.3456","0.0003","11.4668","0.0003","19.414","0.0005","82.907","0.002","80.58","0.002","77.69","0.002","2424.07","0.11","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0647","0.0572","","","0.1665","0.1736","","","","","","1.0292","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560168","9.7522","0.0002","11.4459","0.0002","16.6761","0.0003","95.5","0.002","95.052","0.002","104.805","0.002","1779.06","0.06","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0655","0.0617","","","0.1707","0.1755","","","","","","1.0058","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560169","10.3108","0.0006","25.3315","0.0017","13.5949","0.0009","90","","111.123","0.0013","90","","3312.2","0.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.0929","0.064","","","0.17","0.1905","","","","","","1.052","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560170","9.7269","0.0003","11.4193","0.0003","16.6601","0.0004","95.565","0.002","95.014","0.002","104.744","0.002","1769.03","0.09","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0541","0.0511","","","0.1435","0.1469","","","","","","1.0445","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560171","10.3821","0.0019","25.543","0.005","13.668","0.003","90","","111.172","0.004","90","","3380","1.2","340","2","340","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1655","0.0866","","","0.241","0.3215","","","","","","1.009","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560172","9.8091","0.0003","11.5747","0.0004","16.7136","0.0005","95.109","0.002","95.249","0.002","104.806","0.003","1814.42","0.1","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0599","0.0544","","","0.149","0.1535","","","","","","1.0059","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560173","10.354","0.003","25.443","0.007","13.638","0.004","90","","111.061","0.005","90","","3352.7","1.7","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C32 H40 F6 Fe N O6 P -","- C32 H40 F6 Fe N O6 P -","- C128 H160 F24 Fe4 N4 O24 P4 -","4","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","0.71073","MoKα","","0.1167","0.0712","","","0.2018","0.2328","","","","","","1.071","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560174","9.8649","0.0003","11.7188","0.0004","16.7606","0.0006","94.613","0.003","95.802","0.003","104.684","0.003","1853.36","0.11","358","2","358","","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0993","0.0834","","","0.2456","0.2648","","","","","","1.0035","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560175","9.691","0.0003","11.3787","0.0003","16.6251","0.0004","95.673","0.002","94.963","0.002","104.636","0.002","1753.22","0.09","93","2","93","","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0619","0.0596","","","0.1677","0.1709","","","","","","1.041","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560176","11.3733","0.0002","11.6068","0.0003","19.427","0.0005","83.003","0.002","80.579","0.002","77.986","0.002","2464.26","0.1","363","2","363","2","","","","","","","","7","P -1","-P 1","2","","[N-(4-methylbenzyl)ammoniumethylferrocene hexafluorophosphate][dibenzo[30]crown-10 ether]","","- C47 H62 F6 Fe N O10 P -","- C47 H62 F6 Fe N O10 P -","- C94 H124 F12 Fe2 N2 O20 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","x-ray","1.54184","CuKα","","0.0862","0.0727","","","0.2161","0.2296","","","","","","1.0302","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560177","9.7922","0.0002","11.5185","0.0003","16.7041","0.0004","95.266","0.002","95.19","0.002","104.874","0.002","1800.49","0.08","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","[ferrocenylmethyl(methy) ammonium hexafluorophosphate][dibenzo[18]crown-6 ether]","","- C33 H42 Cl2 F6 Fe N O6 P -","- C33 H42 Cl2 F6 Fe N O6 P -","- C66 H84 Cl4 F12 Fe2 N2 O12 P2 -","2","1","","Wang, Chi-Hsien; Chen, Kai-Jen; Wu, Tsung-Huan; Chang, Hung-Kai; Tsuchido, Yoshitaka; Sei, Yoshihisa; Chen, Pei-Lin; Horie, Masaki","Ring rotation of ferrocene in interlocked molecules in single crystals","Chemical Science","2021","12","11","3871","3875","10.1039/D0SC06876D","","","1.54184","CuKα","","0.0713","0.0661","","","0.184","0.1897","","","","","","1.0484","","","","has coordinates","263699","2021-04-05","14:25:32",""
"1560186","6.931","0.0014","7.59","0.0015","7.735","0.0015","60.94","0.03","82.44","0.03","75.12","0.03","343.75","0.16","100","","100","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","0.7108","Synchrotron","","0.0985","0.0925","","0.3309","0.3279","0.3262","","","","","","1.056","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560187","7.0348","0.00002","7.8512","0.00002","7.8827","0.00002","61.268","0.005","74.309","0.004","82.32","0.005","367.54","0.019","293","","293","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","1.54184","CuKα","","0.081","0.078","","0.2542","0.252","0.2194","","","","","","1.03","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560188","5.5557","0.0005","7.8957","0.0007","9.0549","0.0008","71.386","0.008","83.555","0.007","74.217","0.007","362.09","0.06","293","","293","","","","","","","","synthesized","4","P -1","-P 1","2","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C16 H16 N4 O4 -","2","1","","Nicks, Joshua; Boer, Stephanie A.; White, Nicholas G.; Foster, Jonathan A.","Monolayer nanosheets formed by liquid exfoliation of charge-assisted hydrogen-bonded frameworks","Chemical Science","2021","12","9","3322","3327","10.1039/D0SC06906J","","","1.54184","CuKα","","0.0532","0.0456","","0.1382","0.1277","0.1382","","","","","","1.0049","","","","has coordinates","263696","2021-04-05","14:22:39",""
"1560197","9.5983","0.0012","7.4141","0.0008","28.155","0.003","90","","97.017","0.004","90","","1988.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H17 N -","- C33 H17 N -","- C132 H68 N4 -","4","1","","Ghosh, Animesh; Csókás, Dániel; Budanović, Maja; Webster, Richard D.; Pápai, Imre; Stuparu, Mihaiela C.","Synthesis of azahelicenes through Mallory reaction of imine precursors: corannulene substrates provide an exception to the rule in oxidative photocyclizations of diarylethenes","Chemical Science","2021","12","11","3977","3983","10.1039/D0SC06730J","","","0.71073","MoKα","","0.2157","0.079","","","0.1342","0.1857","","","","","","0.982","","","","has coordinates","263705","2021-04-05","14:27:48",""
"1560198","4.4453","0.0006","8.1098","0.001","12.7463","0.0018","90","","90","","90","","459.51","0.11","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- As B F H4 N O4 -","- As B F H4 N O4 -","- As4 B4 F4 H16 N4 O16 -","4","1","","Bai, Zhiyong; Liu, Lehui; Wang, Dongmei; Hu, Chun-Li; Lin, Zhoubin","To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units","Chemical Science","2021","12","11","4014","4020","10.1039/D1SC00080B","","x-ray","1.3405","GaKα","","0.0667","0.0616","","","0.1548","0.1764","","","","","","1.154","","","","has coordinates","263704","2021-04-05","14:27:41",""
"1560199","10.6937","0.0004","10.7364","0.0004","25.1952","0.001","88.365","0.002","83.658","0.002","83.887","0.002","2858.25","0.19","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H65 Cu F3 N4 O4 P3 S -","- C65 H65 Cu F3 N4 O4 P3 S -","- C130 H130 Cu2 F6 N8 O8 P6 S2 -","2","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0914","0.0651","","","0.1603","0.1746","","","","","","1.055","","","","has coordinates,has disorder","263711","2021-04-05","14:29:18",""
"1560200","16.4423","0.0016","20.739","0.0019","15.7833","0.0015","90","","104.388","0.005","90","","5213.2","0.9","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 B Cl Cu F20 N4 O P3 -","- C43 H49 B Cl Cu F20 N4 O P3 -","- C172 H196 B4 Cl4 Cu4 F80 N16 O4 P12 -","4","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0401","0.0351","","","0.1009","0.1059","","","","","","1.031","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560201","16.2129","0.0007","16.8046","0.0007","17.8201","0.0008","90","","90","","90","","4855.1","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 Cl2 Cu N4 P3 -","- C15 H39 Cl2 Cu N4 P3 -","- C120 H312 Cl16 Cu8 N32 P24 -","8","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0222","0.0197","","","0.0516","0.0531","","","","","","1.056","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560202","12.8794","0.0005","28.2479","0.001","15.6613","0.0006","90","","110.76","0.001","90","","5327.9","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 B Cu F20 N4 P3 -","- C54 H45 B Cu F20 N4 P3 -","- C216 H180 B4 Cu4 F80 N16 P12 -","4","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0657","0.0456","","","0.0835","0.0897","","","","","","1.104","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560203","13.443","0.0019","14.253","0.002","14.599","0.002","93.503","0.007","105.397","0.006","107.916","0.006","2534.8","0.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 B Cu F20 N4 P3 -","- C39 H39 B Cu F20 N4 P3 -","- C78 H78 B2 Cu2 F40 N8 P6 -","2","1","","Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Using internal electrostatic fields to manipulate the valence manifolds of copper complexes","Chemical Science","2021","12","12","4395","4404","10.1039/D0SC06364A","","","0.71073","MoKα","","0.0558","0.0367","","","0.0873","0.0964","","","","","","1.012","","","","has coordinates","263711","2021-04-05","14:29:18",""
"1560204","9.6009","0.0002","10.3983","0.0002","9.9867","0.0002","90","","115.222","0.001","90","","901.95","0.03","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 S2 -","- C19 H18 N2 O2 S2 -","- C38 H36 N4 O4 S4 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0242","0.0236","","","0.0601","0.0607","","","","","","1.038","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560205","23.069","0.0011","24.5839","0.0012","9.5501","0.0004","90","","90","","90","","5416.1","0.4","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C38 H56 F9 N4 O16 S3 Yb -","- C38 H56 F9 N4 O16 S3 Yb -","- C152 H224 F36 N16 O64 S12 Yb4 -","4","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","0.71073","MoKα","","0.0222","0.0215","","","0.0565","0.0572","","","","","","1.125","","","","has coordinates,has disorder","263714","2021-04-05","14:29:42",""
"1560206","11.9789","0.0005","20.7474","0.0009","12.9099","0.0005","90","","106.293","0.001","90","","3079.7","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Yb -","- C49 H78 F9 N4 O17 S3 Yb -","- C98 H156 F18 N8 O34 S6 Yb2 -","2","1","","Zhong, Xia; Zhong, Ziwei; Wu, Zhikun; Ye, Zhen; Feng, Yuxiang; Dong, Shunxi; Liu, Xiaohua; Peng, Qian; Feng, Xiaoming","Chiral Lewis acid-bonded picolinaldehyde enables enantiodivergent carbonyl catalysis in the Mannich/condensation reaction of glycine ester","Chemical Science","2021","12","12","4353","4360","10.1039/D0SC07052A","","","1.54178","CuKα","","0.0218","0.0217","","","0.056","0.056","","","","","","1.053","","","","has coordinates","263714","2021-04-05","14:29:42",""
"1560207","8.9363","0.0005","15.5536","0.0009","17.3731","0.0009","106.709","0.004","97.475","0.004","95.961","0.004","2267.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C122 H112 O4 S2 -","- C122 H112 O4 S2 -","- C122 H112 O4 S2 -","1","0.5","","Lu, Xuefeng; An, Dongyue; Han, Yi; Zou, Ya; Qiao, Yanjun; Zhang, Ning; Chang, Dongdong; Wu, Jishan; Liu, Yunqi","A cyclopenta-fused dibenzo[b,d]thiophene-co-phenanthrene macrocyclic tetraradicaloid","Chemical Science","2021","12","11","3952","3957","10.1039/D0SC06185A","","","1.54178","CuKα","","0.1777","0.0915","","","0.2296","0.2901","","","","","","0.968","","","","has coordinates,has disorder","263701","2021-04-05","14:26:15",""
"1560208","9.7333","0.001","27.941","0.002","42.675","0.004","75.096","0.007","83.457","0.007","84.935","0.007","11121.3","1.8","298.15","","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C504 H528 Cu24 N72 -","8","4","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","","0.71073","MoKα","","0.5885","0.1609","","","0.2386","0.4138","","","","","","0.948","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1560209","11.4093","0.0001","28.8937","0.0001","17.7109","0.0001","90","","104.338","0.001","90","","5656.66","0.07","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","2","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.1009","0.099","","","0.251","0.2556","","","","","","1.226","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560210","11.52641","0.00011","29.1085","0.0003","17.85854","0.00017","90","","103.99","0.001","90","","5814.11","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Cu3 N9 -","- C63 H66 Cu3 N9 -","- C252 H264 Cu12 N36 -","4","1","","Xie, Mo; Chen, Xiao-Ru; Wu, Kun; Lu, Zhou; Wang, Kai; Li, Nan; Wei, Rong-Jia; Zhan, Shun-Ze; Ning, Guo-Hong; Zou, Bo; Li, Dan","Pressure-induced phosphorescence enhancement and piezochromism of a carbazole-based cyclic trinuclear Cu(i) complex","Chemical Science","2021","12","12","4425","4431","10.1039/D0SC07058K","","x-ray","1.54184","CuKα","","0.0717","0.0573","","","0.1758","0.1885","","","","","","1.054","","","","has coordinates,has disorder","263709","2021-04-05","14:28:37",""
"1560211","13.571","0.004","11.046","0.004","19.406","0.006","90","","102.992","0.011","90","","2834.6","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H45 Fe N4 O7 -","- C22 H45 Fe N4 O7 -","- C88 H180 Fe4 N16 O28 -","4","1","","Keshari, Kritika; Bera, Moumita; Velasco, Lucía; Munshi, Sandip; Gupta, Geetika; Moonshiram, Dooshaye; Paria, Sayantan","Characterization and reactivity study of non-heme high-valent iron‒hydroxo complexes","Chemical Science","2021","12","12","4418","4424","10.1039/D0SC07054H","","","0.71073","MoKα","","0.0949","0.0617","","","0.1573","0.1908","","","","","","1.067","","","","has coordinates","263707","2021-04-05","14:28:09",""
"1560212","8.1656","0.0012","15.1358","0.0014","15.7979","0.0016","90","","102.468","0.0019","90","","1906.5","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O2 -","- C30 H16 O2 -","- C120 H64 O8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0341","0.0313","","","0.0825","0.0844","","","","","","1.046","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560213","15.9958","0.0001","15.9492","0.0001","7.8148","0.0001","90","","91.516","0.001","90","","1993.02","0.03","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N2 -","- C30 H18 N2 -","- C120 H72 N8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0394","0.038","","","0.0937","0.0948","","","","","","1.049","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560214","17.7976","0.0002","10.4721","0.0001","11.7388","0.0001","90","","99.158","0.001","90","","2159.97","0.04","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 O2 S -","- C15 H8 O2 S -","- C120 H64 O16 S8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0362","0.036","","","0.0973","0.0975","","","","","","1.093","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560215","8.57192","0.00004","20.53361","0.0001","22.43166","0.00011","90","","90","","90","","3948.25","0.03","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C57 H34 Cl2 -","- C57 H34 Cl2 -","- C228 H136 Cl8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0373","0.0366","","","0.0999","0.1004","","","","","","1.03","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560216","9.338","0.003","13.622","0.003","16.299","0.004","90","","102.204","0.007","90","","2026.4","0.9","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 S2 -","- C30 H16 S2 -","- C120 H64 S8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0318","0.0311","","","0.0794","0.0797","","","","","","1.071","","","","has coordinates","263683","2021-04-05","14:19:04",""
"1560217","9.0201","0.0009","9.0201","0.0009","49.382","0.007","90","","90","","90","","4017.8","0.8","93","2","93","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C28.5 H16.5 Cl1.5 O -","- C28.5 H16.5 Cl1.5 O -","- C228 H132 Cl12 O8 -","8","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54187","CuKα","","0.0888","0.0853","","","0.2422","0.2449","","","","","","1.002","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560218","19.84621","0.00017","15.33735","0.0001","19.6362","0.0002","90","","91.1824","0.0008","90","","5975.76","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H86 B P2 Y -","- C70 H86 B P2 Y -","- C280 H344 B4 P8 Y4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0645","0.0474","","","0.1042","0.112","","","","","","1.03","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560219","14.68263","0.00018","10.27641","0.00016","28.8561","0.0004","90","","94.9221","0.0012","90","","4337.89","0.11","120","1","120","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 Cl2 F6 P2 Ru Sb -","- C36 H50 Cl F6 P2 Ru Sb -","- C144 H200 Cl4 F24 P8 Ru4 Sb4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0632","0.0395","","","0.0771","0.0844","","","","","","1.024","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560220","13.847","0.006","11.756","0.006","17.937","0.008","90","","95.395","0.009","90","","2907","2","100","2","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl4 Hf P2 -","- C26 H36 Cl4 Hf P2 -","- C104 H144 Cl16 Hf4 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0321","0.0231","","","0.0475","0.0508","","","","","","1.073","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560221","20.20265","0.0001","16.84883","0.00009","20.7566","0.00009","90","","90","","90","","7065.36","0.06","120","1","120","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H43 Cl5 N P2 Ta -","- C33 H43 Cl5 N P2 Ta -","- C264 H344 Cl40 N8 P16 Ta8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0231","0.0196","","","0.0461","0.0476","","","","","","1.027","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560222","12.12","0.005","18.798","0.008","15.683","0.006","90","","111.303","0.006","90","","3329","2","100","2","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H39 Br Cl3 Mn O3 P2 -","- C30.5 H39 Br Cl3 Mn O3 P2 -","- C122 H156 Br4 Cl12 Mn4 O12 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0355","0.0285","","","0.0754","0.079","","","","","","1.031","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560223","11.87864","0.00015","15.68278","0.00018","15.58857","0.00018","90","","102.773","0.0012","90","","2832.13","0.06","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cr O4 P2 -","- C30 H36 Cr O4 P2 -","- C120 H144 Cr4 O16 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0463","0.0399","","","0.0852","0.0881","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560224","18.1766","0.00019","11.59885","0.00008","21.4296","0.0002","90","","114.947","0.0012","90","","4096.41","0.08","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 Cl N O2 P2 Pt -","- C41 H52 Cl N O P2 Pt -","- C164 H208 Cl4 N4 O4 P8 Pt4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0408","0.0313","","","0.0592","0.0617","","","","","","1.104","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560225","8.68119","0.0001","24.5831","0.0003","20.7842","0.0003","90","","96.7728","0.0011","90","","4404.61","0.1","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H55 Cl5 F6 P2 Rh Sb -","- C37 H53 Cl3 F6 P2 Rh Sb -","- C148 H212 Cl12 F24 P8 Rh4 Sb4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0773","0.0562","","","0.1219","0.131","","","","","","1.052","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560226","10.771","0.005","18.02","0.009","16.983","0.008","90","","97.989","0.012","90","","3264","3","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 N2 O3 P2 W -","- C33 H42 N2 O3 P2 W -","- C132 H168 N8 O12 P8 W4 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0282","0.0206","","","0.0439","0.0467","","","","","","1.07","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560227","15.652","0.0007","16.072","0.0007","22.3038","0.0012","90","","90","","90","","5610.7","0.5","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 O3 P2 W -","- C29 H36 O3 P2 W -","- C232 H288 O24 P16 W8 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1058","0.0678","","","0.1097","0.1252","","","","","","1.076","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560228","10.771","0.004","18.08","0.007","16.992","0.007","90","","97.838","0.01","90","","3278","2","100","2","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Mo N2 O3 P2 -","- C33 H42 Mo N2 O3 P2 -","- C132 H168 Mo4 N8 O12 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.0431","0.0316","","","0.0746","0.0803","","","","","","1.031","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560229","10.8424","0.0003","15.9246","0.0005","22.3877","0.0005","90","","101.63","0.003","90","","3786.12","0.18","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Mo O6 P2 -","- C38 H52 Mo O6 P2 -","- C152 H208 Mo4 O24 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.109","0.0715","","","0.1633","0.1833","","","","","","1.073","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560230","32.514","0.0004","11.57882","0.00009","39.5477","0.0004","90","","113.917","0.0013","90","","13610.2","0.3","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H48 Mo O4.5 P2 -","- C35 H48 Mo O4.5 P2 -","- C560 H768 Mo16 O72 P32 -","16","2","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0457","0.0417","","","0.0976","0.0998","","","","","","1.026","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560231","11.28458","0.00015","13.79053","0.00015","47.7699","0.0004","90","","90.5291","0.001","90","","7433.65","0.14","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H100 Au B F2 O P2 -","- C76 H85.612 Au B F P2 -","- C304 H342.448 Au4 B4 F4 P8 -","4","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1206","0.0764","","","0.1264","0.1384","","","","","","1.127","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560232","15.65317","0.00006","16.11165","0.00008","22.26048","0.00009","90","","90","","90","","5614.06","0.04","120","1","120","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Mo O3 P2 -","- C29 H36 Mo O3 P2 -","- C232 H288 Mo8 O24 P16 -","8","1","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","1.54184","CuKα","K-L~2,3~","0.0201","0.0192","","","0.0447","0.0451","","","","","","1.09","","","","has coordinates","263670","2021-04-05","14:15:41",""
"1560233","20.688","0.011","26.218","0.015","40.07","0.02","90","","95.99","0.01","90","","21615","2","100","2","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 O3 P2 S2 Zn -","- C51 H72 O1.75 P2 S2 Zn -","- C816 H1152 O28 P32 S32 Zn16 -","16","4","","Wagner, Hannah K.; Wadepohl, Hubert; Ballmann, Joachim","A 2,2′-diphosphinotolane as a versatile precursor for the synthesis of P-ylidic mesoionic carbenes via reversible C‒P bond formation","Chemical Science","2021","12","10","3693","3701","10.1039/D0SC06128J","","x-ray","0.71073","MoKα","K-L~2,3~","0.1325","0.0627","","","0.1318","0.1603","","","","","","1.006","","","","has coordinates,has disorder","263670","2021-04-05","14:15:41",""
"1560234","6.2639","0.0006","22.294","0.002","30.28","0.004","90","","95.509","0.01","90","","4209","0.8","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14",";6cpp@12cpp;","","","- C55 H38 Cl2 -","- C55 H38 Cl2 -","- C220 H152 Cl8 -","4","1","","Zhao, Chong; Liu, Fupin; Feng, Lai; Nie, Mingzhe; Lu, Yuxi; Zhang, Jie; Wang, Chunru; Wang, Taishan","Construction of a double-walled carbon nanoring.","Nanoscale","2021","13","9","4880","4886","10.1039/d0nr08931a","","","0.71073","MoKα","","0.3507","0.1876","","","0.3752","0.462","","","","","","1.066","","","","has coordinates","263800","2021-04-05","15:06:17",""
"1560235","8.7181","0.0002","10.723","0.0003","11.2096","0.0003","113.035","0.001","91.4395","0.0012","107.402","0.0011","908.09","0.04","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","HB4374","Yoo, Miri; Koh, Dongsoo","1-[5-(3,5-Dimethoxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","IUCrData","2021","6","1","x210096","","10.1107/S2414314621000961","","","0.71073","MoKα","","0.0708","0.0461","","","0.1121","0.1258","","","","","","1.048","","","","has coordinates,has Fobs","261326","2021-01-30","06:28:01",""
"1560236","17.6827","0.0001","10.4422","0.0001","22.5408","0.0002","90","","90","","90","","4162.08","0.06","99.97","0.13","99.97","0.13","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H43 Ba N6 O11 S2 -","- C32 H43 Ba N6 O11 S2 -","- C128 H172 Ba4 N24 O44 S8 -","4","1","","Abou, Diane S.; Thiele, Nikki A.; Gutsche, Nicholas T.; Villmer, Alexandria; Zhang, Hanwen; Woods, Joshua J.; Baidoo, Kwamena E.; Escorcia, Freddy E.; Wilson, Justin J.; Thorek, Daniel L. J.","Towards the stable chelation of radium for biomedical applications with an 18-membered macrocyclic ligand","Chemical Science","2021","12","10","3733","3742","10.1039/D0SC06867E","","x-ray","1.54184","CuKα","","0.0702","0.0698","","","0.2009","0.2018","","","","","","1.113","","","","has coordinates,has disorder","263665","2021-04-05","14:12:03",""
"1560237","16.297","0.0001","17.0451","0.0001","17.8125","0.0001","90","","90","","90","","4948.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 Cl Ir N2 -","- C59 H76 Cl Ir N2 -","- C236 H304 Cl4 Ir4 N8 -","4","1","","Foster, Daven; Gao, Pengchao; Zhang, Ziyun; Sipos, Gellért; Sobolev, Alexandre N.; Nealon, Gareth; Falivene, Laura; Cavallo, Luigi; Dorta, Reto","Design, scope and mechanism of highly active and selective chiral NHC‒iridium catalysts for the intramolecular hydroamination of a variety of unactivated aminoalkenes","Chemical Science","2021","12","10","3751","3767","10.1039/D0SC05884J","","","1.54178","CuKα","","0.0296","0.0271","","","0.0645","0.0663","","","","","","1.001","","","","has coordinates","263680","2021-04-05","14:17:52",""
"1560238","9.3936","0.0009","16.783","0.0016","17.8687","0.0017","75.171","0.004","83.247","0.004","84.427","0.004","2697.7","0.4","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H64 Br2 N4 O13 -","- C55 H64 Br2 N4 O13 -","- C110 H128 Br4 N8 O26 -","2","1","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","","1.54178","CuKα","","0.2112","0.152","","","0.2536","0.2761","","","","","","1.341","","","","has coordinates","263700","2021-04-05","14:25:59",""
"1560239","19.889","0.005","18.209","0.004","33.691","0.007","90","","105.93","0.02","90","","11733","5","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H52 Br2 N4 O12 -","- C50 H52 Br2 N4 O12 -","- C400 H416 Br16 N32 O96 -","8","2","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","x-ray","1.54184","CuKα","","0.2789","0.2005","","","0.4848","0.5352","","","","","","1.35","","","","has coordinates,has disorder","263700","2021-04-05","14:26:06",""
"1560240","28.49","0.02","10.505","0.004","43.418","0.018","90","","106.34","0.05","90","","12470","12","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67.5 B Br2 F4 N4.5 O12.5 -","- C57 H67.5 B Br2 F4 N4.5 O12.5 -","- C456 H540 B8 Br16 F32 N36 O100 -","8","2","","Wilson, Benjamin H.; Abdulla, Louae M.; Schurko, Robert W.; Loeb, Stephen J.","Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal‒organic framework","Chemical Science","2021","12","11","3944","3951","10.1039/D0SC06837C","","","1.54178","CuKα","","0.1323","0.1139","","","0.2936","0.3088","","","","","","1.041","","","","has coordinates,has disorder","263700","2021-04-05","14:26:06",""
"1560241","9.60831","0.00008","33.8371","0.0003","10.09764","0.0001","90","","99.1105","0.0008","90","","3241.5","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 F3 P2 -","- C38 H41 F3 P2 -","- C152 H164 F12 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0404","0.0364","","","0.0953","0.0982","","","","","","1.04","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560242","10.9245","0.0002","12.9655","0.0003","14.1731","0.0002","63.574","0.002","81.1475","0.0015","75.1466","0.0018","1735.83","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.79 H50.79 Cl0.41 N0.79 P2 -","- C41.794 H50.794 Cl0.412 N0.794 P2 -","- C83.588 H101.588 Cl0.824 N1.588 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.035","0.0334","","","0.087","0.088","","","","","","1.043","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560243","41.898","0.003","15.2834","0.0004","11.6875","0.0009","90","","93.097","0.008","90","","7473.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H44 Au Cl O P2 -","- C38 H44 Au Cl O P2 -","- C304 H352 Au8 Cl8 O8 P16 -","8","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0295","0.0285","","","0.079","0.0798","","","","","","1.061","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560244","9.3045","0.0004","10.502","0.0004","18.6397","0.0006","97.739","0.003","91.819","0.003","94.738","0.003","1796.94","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H50 Au Cl O P2 -","- C41 H50 Au Cl O P2 -","- C82 H100 Au2 Cl2 O2 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0483","0.0466","","","0.1291","0.1332","","","","","","1.081","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560245","10.29027","0.00019","10.5467","0.0002","29.0177","0.0006","90","","96.2428","0.0017","90","","3130.57","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 P2 -","- C38 H44 P2 -","- C152 H176 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0532","0.0397","","","0.0993","0.1076","","","","","","1.033","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560246","11.24594","0.00015","18.3601","0.0002","18.9125","0.0003","90","","95.9476","0.0012","90","","3883.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H52 Au Cl P2 -","- C45 H52 Au Cl P2 -","- C180 H208 Au4 Cl4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0261","0.0247","","","0.0608","0.0616","","","","","","1.072","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560247","12.0432","0.0002","16.7764","0.0002","17.8978","0.0002","90","","106.65","0.001","90","","3464.49","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Au Cl P2 -","- C40 H48 Au Cl P2 -","- C160 H192 Au4 Cl4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","x-ray","1.54184","CuKα","","0.0197","0.0189","","","0.049","0.0494","","","","","","1.06","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560248","11.01072","0.00016","17.1399","0.0002","18.8182","0.0002","80.1354","0.0011","77.3539","0.0012","89.9789","0.0012","3411.48","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H41 Au Cl F3 P2 -","- C38 H41 Au Cl F3 P2 -","- C152 H164 Au4 Cl4 F12 P8 -","4","2","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0244","0.0228","","","0.0588","0.0594","","","","","","1.093","","","","has coordinates","263710","2021-04-05","14:29:02",""
"1560249","11.3956","0.00015","15.6766","0.0002","18.1208","0.0003","90","","90","","90","","3237.18","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C38 H44 O P2 -","- C38 H44 O P2 -","- C152 H176 O4 P8 -","4","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0384","0.0367","","","0.0966","0.0984","","","","","","1.019","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560250","9.3576","0.0005","13.3096","0.0006","14.9346","0.0008","93.442","0.004","93.343","0.004","107.914","0.004","1760.89","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H50 P2 -","- C44 H50 P2 -","- C88 H100 P4 -","2","1","","Handelmann, Jens; Babu, Chatla Naga; Steinert, Henning; Schwarz, Christopher; Scherpf, Thorsten; Kroll, Alexander; Gessner, Viktoria H.","Towards the rational design of ylide-substituted phosphines for gold(i)-catalysis: from inactive to ppm-level catalysis","Chemical Science","2021","12","12","4329","4337","10.1039/D1SC00105A","","","1.54184","CuKα","","0.0503","0.0389","","","0.0917","0.0998","","","","","","1.023","","","","has coordinates,has disorder","263710","2021-04-05","14:29:02",""
"1560251","8.639","0.008","20.045","0.012","8.116","0.005","90","","101.326","0.005","90","","1378.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","1","HB4371","Huang, Houshi; Wu, Zhichao","2-(2,4-Dinitrophenyl)-1-(pyridin-4-yl)ethanol monohydrate","IUCrData","2021","6","2","x201640","","10.1107/S2414314620016405","","","0.71073","MoKα","","0.0502","0.0452","","","0.1206","0.125","","","","","","1.034","","","","has coordinates,has Fobs","261386","2021-02-03","06:53:51",""
"1560262","16.268","0.003","17.763","0.003","23.082","0.004","87.715","0.01","81.35","0.01","66.621","0.009","6051.3","1.9","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C228 H292 Cl8 N8 O14 P8 Ru4 -","4","4","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1214","0.0836","","","0.2425","0.2708","","","","","","1.062","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560263","14.0362","0.0013","14.0362","0.0013","55.098","0.007","90","","90","","90","","10855","2","193","2","193","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C440 H544 Cl16 N16 O24 P16 Ru8 -","8","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0823","0.0569","","","0.131","0.1416","","","","","","1.028","","","","has coordinates","264853","2021-05-05","07:55:38",""
"1560264","14.485","0.003","13.276","0.003","16.008","0.004","90","","104.344","0.006","90","","2982.4","1.2","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C110 H136 Cl4 N4 O6 P4 Ru2 -","2","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0284","0.0266","","","0.0702","0.0708","","","","","","1.219","","","","has coordinates","264853","2021-05-05","07:55:40",""
"1560265","29.604","0.014","12.869","0.004","29.396","0.014","90","","114.68","0.02","90","","10176","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H58 Cl4 N2 O5 P2 Ru -","- C50 H58 Cl4 N2 O5 P2 Ru -","- C400 H464 Cl32 N16 O40 P16 Ru8 -","8","2","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1347","0.0617","","","0.1278","0.1524","","","","","","1.015","","","","has coordinates","264853","2021-05-05","07:55:41",""
"1560266","13.3642","0.0003","15.0349","0.0003","18.4697","0.0004","89.212","0.001","76.738","0.001","66.771","0.001","3307.09","0.13","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","1","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0361","0.0317","","","0.0901","0.0926","","","","","","1.052","","","","has coordinates,has disorder","264853","2021-05-05","07:55:41",""
"1560267","48.002","0.01","35.012","0.007","30.277","0.006","90","","127.84","0.03","90","","40185","2","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C1440 H1104 Ag112 Cl48 F48 P64 Pt8 S48 -","8","1","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","0.77484","synchrotron","","0.0661","0.0621","","","0.1757","0.1812","","","","","","1.029","","","","has coordinates","261491","2021-02-04","02:50:15",""
"1560268","47.8113","0.0013","34.9302","0.001","30.1732","0.0008","90","","127.995","0.001","90","","39711","2","173","","173","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C180 H138 Ag14 Cl6 F6 P8 Pt S6 -","- C1440 H1104 Ag112 Cl48 F48 P64 Pt8 S48 -","8","1","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","1.54178","CuKα","","0.0582","0.0436","","","0.1128","0.1234","","","","","","1.023","","","","has coordinates","261492","2021-02-04","02:50:58",""
"1560269","18.9452","0.001","19.2539","0.0012","20.0639","0.0011","89.647","0.004","67.76","0.003","71.704","0.003","6378.7","0.7","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","- C216 H140 Ag24 Cl20 F20 P4 Pt S20 -","1","0.5","","Lin, Xinzhang; Sun, Keju; Fu, Xuemei; Ren, Xiuqing; Yang, Yang; Liu, Chao; Huang, Jiahui","Correlating Kernel‒Shell Structures with Optical Properties of Pt1Ag24 and Pt1Ag14 Nanoclusters","The Journal of Physical Chemistry C","2021","125","3","2194","2201","10.1021/acs.jpcc.0c10481","","","1.54178","CuKα","","0.1495","0.1253","","","0.3288","0.3579","","","","","","1.3425","","","","has coordinates","261493","2021-02-04","02:51:48",""
"1560270","9.9157","0.0001","10.1069","0.0001","13.5253","0.0002","78.6034","0.0005","69.679","0.0005","89.5945","0.0005","1243.24","0.03","150","","150","","","","","","","","","5","P -1","-P 1","2","","Benzyltrimethylammonium Chloride complex with rac-1,1'-Bi-2-naphthol","","- C30 H30 Cl N O2 -","- C30 H30 Cl N O2 -","- C60 H60 Cl2 N2 O4 -","2","1","","MARFO-OWUSU, Emmanuel; THOMPSON, Amber L.","Crystal Structure of a Benzyltrimethylammonium Chloride Complex with <i>rac</i>-1,1′-Bi-2-naphthol: The Generation of Weak Interactions by the Influence of a Benzyl Group","X-ray Structure Analysis Online","2021","37","0","1","2","10.2116/xraystruct.37.1","","","0.71073","MoKα","","0.0427","0.0372","","0.0662","0.0617","0.0662","","","","","","0.9879","","","","has coordinates","261771","2021-02-04","23:33:27",""
"1560271","15.052","0.003","20.449","0.004","14.7","0.003","90","","90","","90","","4524.6","1.6","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41 H56 Cl2 Mn2 N8 O12 -","- C41 H57 Cl2 Mn2 N8 O12 -","- C164 H228 Cl8 Mn8 N32 O48 -","4","0.5","","MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro","Crystal Structure of a μ-Phenolato-μ-oxido-bridged Dinuclear Manganese(III) Complex with Dinucleating Schiff-base Ligand Having Three Phenolate Groups","X-ray Structure Analysis Online","2021","37","0","3","5","10.2116/xraystruct.37.3","","","0.71073","MoKα","","0.1455","0.0713","","","0.1459","0.17","","","","","","0.953","","","","has coordinates","261772","2021-02-04","23:33:56",""
"1560272","7.1611","0.0004","10.7203","0.0006","11.6662","0.0007","90","","90.805","0.002","90","","895.52","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl6 N8 O2 Ru2 -","- C10 H8 Cl6 N8 O2 Ru2 -","- C20 H16 Cl12 N16 O4 Ru4 -","2","0.5","","Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José","Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System.","Biosensors","2021","11","1","19","","10.3390/bios11010019","","","0.71073","MoKα","","0.1128","0.0726","","","0.1811","0.2239","","","","","","1.17","","","","has coordinates","261773","2021-02-05","01:18:46",""
"1560273","8.7139","0.0006","11.8652","0.0009","10.2858","0.0008","90","","112.318","0.002","90","","983.81","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl6 N8 O4 Ru2 -","- C10 H12 Cl6 N8 O4 Ru2 -","- C20 H24 Cl12 N16 O8 Ru4 -","2","0.5","","Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José","Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System.","Biosensors","2021","11","1","19","","10.3390/bios11010019","","","0.71073","MoKα","","0.1099","0.0844","","","0.2014","0.2185","","","","","","1.066","","","","has coordinates","261774","2021-02-05","01:19:08",""
"1560274","9.4575","0.0006","13.1739","0.0008","12.1272","0.0007","90","","101.138","0.002","90","","1482.49","0.16","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H40 K N O6 -","- C32 H40 K N O6 -","- C64 H80 K2 N2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0239","0.0231","","","0.0581","0.0587","","","","","","1.064","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560275","17.7615","0.0007","11.8703","0.0004","34.9201","0.0013","90","","100.04","0.002","90","","7249.6","0.5","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N Na O6 -","- C38 H50 N Na O6 -","- C304 H400 N8 Na8 O48 -","8","2","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0601","0.0414","","","0.0958","0.1048","","","","","","1.015","","","","has coordinates,has disorder","263715","2021-04-05","14:29:56",""
"1560276","11.6153","0.0005","11.6198","0.0005","12.645","0.0006","104.751","0.002","95.937","0.002","99.774","0.002","1607.08","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N Na O6 -","- C32 H46 N Na O6 -","- C64 H92 N2 Na2 O12 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0553","0.0471","","","0.1206","0.1277","","","","","","1.028","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560277","9.8522","0.0009","7.7653","0.0007","12.2084","0.0011","90","","95.841","0.005","90","","929.16","0.15","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H20 N -","- C26 H20 N -","- C52 H40 N2 -","2","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0337","0.031","","","0.0761","0.0775","","","","","","1.061","","","","has coordinates","263715","2021-04-05","14:29:56",""
"1560278","11.6347","0.0005","18.1467","0.0009","31.5962","0.0014","90","","95.756","0.002","90","","6637.3","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 Li2 N2 O12 -","- C64 H92 Li2 N2 O12 -","- C256 H368 Li8 N8 O48 -","4","1","","Panetti, Grace B.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis of an elusive, stable 2-azaallyl radical guided by electrochemical and reactivity studies of 2-azaallyl anions","Chemical Science","2021","12","12","4405","4410","10.1039/D0SC04822D","","","0.71073","MoKα","","0.0942","0.0799","","","0.1849","0.1933","","","","","","1.105","","","","has coordinates,has disorder","263715","2021-04-05","14:29:56",""
"1560279","7.2814","0.0002","10.1224","0.0002","12.178","0.0003","92.523","0.002","106.963","0.002","100.062","0.002","841.02","0.04","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C17.24 H19.73 N3 O4.75 -","- C17.244 H19.734 N3 O4.754 -","- C34.488 H39.468 N6 O9.508 -","2","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Gelfand, Benjamin S.; Derksen, Darren J.","Rapid synthesis of pomalidomide-conjugates for the development of protein degrader libraries","Chemical Science","2021","12","12","4519","4525","10.1039/D0SC05442A","","","1.54178","CuKα","","0.049","0.0482","","","0.1237","0.1247","","","","","","1.068","","","","has coordinates,has disorder","263713","2021-04-05","14:29:32",""
"1560280","4.8832","0.0007","7.5868","0.0012","35.478","0.006","90","","90","","90","","1314.4","0.4","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","","Aitken, R.; Haslett, Oliver; Slawin, Alexandra","(S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate","Molbank","2021","2021","1","M1178","","10.3390/M1178","","","0.71075","MoKα","","0.0385","0.036","","","0.0882","0.0899","","","","","","1.048","","","","has coordinates","261789","2021-02-05","09:09:54",""
"1560281","8.6034","0.0002","9.0805","0.0002","16.4248","0.0004","99.579","0.002","94.035","0.002","108.412","0.002","1190.09","0.05","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 B F2 I N3 O5 -","- C21 H27 B F2 I N3 O5 -","- C42 H54 B2 F4 I2 N6 O10 -","2","1","","Kuno, Atsuko; Maeda, Hiromitsu","Nitro-Substituted Dipyrrolyldiketone BF<sub>2</sub> Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems.","Molecules (Basel, Switzerland)","2021","26","3","595","","10.3390/molecules26030595","","","1.54184","CuKα","","0.0778","0.076","","","0.219","0.2207","","","","","","1.05","","","","has coordinates,has disorder","261790","2021-02-05","09:48:06",""
"1560282","11.2903","0.0001","22.2353","0.0002","16.8402","0.0001","90","","98.74","0.001","90","","4178.53","0.06","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 B F2 I N3 O4 -","- C19 H23 B F2 I N3 O4 -","- C152 H184 B8 F16 I8 N24 O32 -","8","2","","Kuno, Atsuko; Maeda, Hiromitsu","Nitro-Substituted Dipyrrolyldiketone BF<sub>2</sub> Complexes as Electronic-State-Adjustable Anion-Responsive π-Electronic Systems.","Molecules (Basel, Switzerland)","2021","26","3","595","","10.3390/molecules26030595","","","1.54184","CuKα","","0.0327","0.031","","","0.0839","0.0849","","","","","","1.034","","","","has coordinates","261790","2021-02-05","09:48:07",""
"1560283","5.20899","0.00003","13.1379","0.00008","24.88894","0.00015","90","","90","","90","","1703.28","0.018","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0258","0.0256","","","0.0665","0.0667","","","","","","1.044","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560284","8.61617","0.00017","16.0717","0.0003","12.1358","0.0003","90","","90.6233","0.0018","90","","1680.42","0.06","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C68 H104 O24 -","4","2","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54184","CuKα","","0.0565","0.0497","","","0.1294","0.1336","","","","","","1.069","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560285","35.002","0.002","5.4539","0.0004","23.7081","0.0014","90","","126.11","0.003","90","","3656.3","0.4","293","2","293.15","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C152 H208 O56 -","8","2","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54178","CuKα","","0.1219","0.0882","","","0.212","0.2404","","","","","","1.046","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560286","5.5123","0.0001","16.2923","0.0002","39.6735","0.0004","90","","90","","90","","3563","0.09","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C152 H208 O48 -","8","2","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0421","0.0398","","","0.104","0.1054","","","","","","1.064","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560287","5.59493","0.00008","16.1943","0.0002","11.21004","0.00014","90","","97.6959","0.0012","90","","1006.55","0.02","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C44 H56 O14 -","2","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0408","0.0394","","","0.1072","0.1083","","","","","","1.09","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560288","5.46419","0.00002","15.26209","0.00006","20.85735","0.0001","90","","90","","90","","1739.4","0.013","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54184","CuKα","","0.0252","0.025","","","0.0703","0.0705","","","","","","1.076","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560289","5.41732","0.00003","15.13174","0.00009","20.13674","0.00012","90","","90","","90","","1650.68","0.017","99.98","0.1","99.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54184","CuKα","","0.0294","0.0289","","","0.076","0.0763","","","","","","1.053","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560290","6.92375","0.00004","15.28917","0.00006","17.20264","0.00007","90","","90","","90","","1821.04","0.015","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0577","0.0573","","","0.1597","0.1603","","","","","","1.027","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560291","5.7391","0.0004","10.8943","0.0007","32.111","0.002","90","","90","","90","","2007.7","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54178","CuKα","","0.0574","0.0558","","","0.1325","0.1344","","","","","","1.066","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560292","18.9647","0.0019","12.1455","0.0012","26.148","0.003","90","","107.084","0.003","90","","5757.1","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59.5 H70 N10 Ni2 O10.5 -","- C59.5 H70 N10 Ni2 O10.5 -","- C238 H280 N40 Ni8 O42 -","4","1","","Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan","Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications","Polymer Chemistry","2021","12","9","1244","1259","10.1039/D0PY01755H","","","0.71073","MoKα","","0.124","0.1139","","","0.2685","0.2743","","","","","","1.017","","","","has coordinates","263859","2021-04-05","15:22:21",""
"1560293","12.9818","0.0008","14.4796","0.0008","17.1256","0.0012","104.692","0.002","96.273","0.002","90.903","0.002","3092.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Cl2 N12 Ni2 O14 -","- C60 H70 Cl2 N12 Ni2 O14 -","- C120 H140 Cl4 N24 Ni4 O28 -","2","1","","Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan","Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications","Polymer Chemistry","2021","12","9","1244","1259","10.1039/D0PY01755H","","","0.71073","MoKα","","0.1066","0.0726","","","0.1786","0.206","","","","","","1.038","","","","has coordinates,has disorder","263859","2021-04-05","15:22:22",""
"1560294","14.843","0.002","16.799","0.003","17.052","0.003","111.232","0.005","106.501","0.005","104.907","0.005","3477.9","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H88 N12 Ni2 O16 -","- C67 H88 N12 Ni2 O16 -","- C134 H176 N24 Ni4 O32 -","2","1","","Liu, Guan-Lin; Wu, Hsin-Wei; Lin, Zheng-Ian; Liao, Min-Gan; Su, Yu-Chia; Chen, Chih-Kuang; Ko, Bao-Tsan","Synthesis of functional CO2-based polycarbonates via dinuclear nickel nitrophenolate-based catalysis for degradable surfactant and drug-loaded nanoparticle applications","Polymer Chemistry","2021","12","9","1244","1259","10.1039/D0PY01755H","","","0.71073","MoKα","","0.1295","0.0865","","","0.278","0.3111","","","","","","1.054","","","","has coordinates","263859","2021-04-05","15:22:22",""
"1560295","8.9944","0.0004","11.325","0.0006","14.4042","0.0007","90","","90","","90","","1467.23","0.12","297","2","297.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptammonium iodide","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]trimethylazanium iodide","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","BT4107","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bufotenidinium iodide","IUCrData","2021","6","2","x210123","","10.1107/S2414314621001231","","","0.71073","MoKα","","0.0141","0.0132","","","0.0309","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","261822","2021-02-06","07:27:30",""
"1560298","12.6493","0.0002","9.244","0.0002","18.0005","0.0003","90","","90","","90","","2104.8","0.07","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","methyl 4-(5,5-difluoro-5H-4l4,5l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-10-yl)-2-methylene-3-phenylpentanoate","","- C22 H21 B F2 N2 O2 -","- C22 H21 B F2 N2 O2 -","- C88 H84 B4 F8 N8 O8 -","4","1","","Meazza, Marta; Cruz, Carlos M.; Ortuño, Ana M.; Cuerva, Juan M.; Crovetto, Luis; Rios, Ramon","Studying the reactivity of alkyl substituted BODIPYs: first enantioselective addition of BODIPY to MBH carbonates","Chemical Science","2021","12","12","4503","4508","10.1039/D0SC06574A","","x-ray","0.71073","MoKα","","0.0724","0.0612","","","0.1535","0.1622","","","","","","1.09","","","","has coordinates","263717","2021-04-05","14:30:35",""
"1560301","25.3115","0.0007","44.5483","0.0014","10.235","0.0002","90","","90","","90","","11540.8","0.5","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C144 H124 N2 P8 Ru2 S -","- C144 H124 N2 P8 Ru2 S -","- C576 H496 N8 P32 Ru8 S4 -","4","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","x-ray","1.54184","CuKα","","0.0716","0.0518","","","0.1377","0.152","","","","","","1.038","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560302","12.3659","0.0003","17.9279","0.0005","20.5933","0.0005","108.974","0.002","100.29","0.002","100.6","0.002","4101.7","0.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C198 H178 P12 Ru3 S2 Si2 -","- C198 H178 P12 Ru3 S2 Si2 -","- C198 H178 P12 Ru3 S2 Si2 -","1","0.5","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","","1.54184","CuKα","","0.1114","0.089","","","0.2561","0.2693","","","","","","1.077","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560303","10.107","0.0012","15.3835","0.0018","37.02","0.004","83.51","0.002","89.395","0.002","86.371","0.002","5707.5","1.1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H116 P8 Ru2 S Si2 -","- C126 H116 P8 Ru2 S Si2 -","- C252 H232 P16 Ru4 S2 Si4 -","2","1","","Tanaka, Yuya; Kato, Yuya; Sugimoto, Kaho; Kawano, Reo; Tada, Tomofumi; Fujii, Shintaro; Kiguchi, Manabu; Akita, Munetaka","Single-molecule junctions of multinuclear organometallic wires: long-range carrier transport brought about by metal‒metal interaction","Chemical Science","2021","12","12","4338","4344","10.1039/D0SC06613C","","","0.71073","MoKα","","0.0904","0.0664","","","0.1577","0.1684","","","","","","1.0333","","","","has coordinates,has disorder","263716","2021-04-05","14:30:19",""
"1560304","7.5851","0.0007","43.318","0.003","8.593","0.0008","90","","100.325","0.002","90","","2777.7","0.4","273","2","273.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4a","","","- C25 H14 O3 S -","- C25 H14 O3 S -","- C150 H84 O18 S6 -","6","1.5","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0652","0.0425","","","0.0939","0.1028","","","","","","1.041","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560305","13.4502","0.0006","15.5304","0.0007","16.0826","0.0007","106.612","0.002","101.513","0.001","105.375","0.001","2962.9","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","11","","","- C62 H41 B F24 N2 O3 -","- C62 H41 B F24 N2 O3 -","- C124 H82 B2 F48 N4 O6 -","2","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0572","0.0442","","","0.1091","0.1187","","","","","","1.051","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560306","13.1828","0.0013","17.102","0.0016","17.4082","0.0017","114.902","0.003","105.306","0.003","96.778","0.003","3313.7","0.6","103.85","","103.85","","","","","","","","","8","P -1","-P 1","2","9","","","- C70.5 H56 B Cl F24 N3 O3 P -","- C70.5 H56 B Cl F24 N3 O3 P -","- C141 H112 B2 Cl2 F48 N6 O6 P2 -","2","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.0772","0.0523","","","0.1337","0.1531","","","","","","1.051","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560307","19.596","0.0013","18.3533","0.0013","18.172","0.0013","90","","108.476","0.004","90","","6198.7","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","8","","","- C64 H50 B F24 O4 P -","- C64 H50 B F24 O4 P -","- C256 H200 B4 F96 O16 P4 -","4","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","","0.71073","MoKα","","0.1158","0.0828","","","0.1955","0.2159","","","","","","1.07","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560308","10.071","0.0003","18.5524","0.0004","13.0354","0.0004","90","","111.106","0.003","90","","2272.16","0.12","99.95","0.13","99.95","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3a","","","- C23 H20 B Cl2 F4 O3 P -","- C23 H20 B Cl2 F4 O3 P -","- C92 H80 B4 Cl8 F16 O12 P4 -","4","1","","Shaikh, Aslam C.; Veleta, José M.; Moutet, Jules; Gianetti, Thomas L.","Trioxatriangulenium (TOTA+) as a robust carbon-based Lewis acid in frustrated Lewis pair chemistry","Chemical Science","2021","12","13","4841","4849","10.1039/D0SC05893A","","x-ray","0.71073","MoKα","","0.058","0.0393","","","0.0902","0.0987","","","","","","1.023","","","","has coordinates,has disorder","265919","2021-06-05","17:55:55",""
"1560309","14.2681","0.0007","3.9182","0.0002","17.1782","0.001","90","","109.954","0.002","90","","902.7","0.08","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RM436","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0598","0.046","","","0.1064","0.1119","","","","","","1.089","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560310","10.6358","0.0004","9.5636","0.0004","10.4269","0.0004","90","","100.187","0.002","90","","1043.87","0.07","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RM447","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0481","0.0401","","","0.0976","0.1025","","","","","","1.036","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560311","10.8844","0.0009","9.9707","0.0007","9.168","0.0007","90","","91.835","0.003","90","","994.45","0.13","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RNH389f2","","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0529","0.0415","","","0.1046","0.1163","","","","","","1.043","","","","has coordinates,has disorder","265918","2021-06-05","17:55:37",""
"1560312","11.6656","0.0004","9.4061","0.0004","10.7626","0.0005","90","","97.797","0.002","90","","1170.04","0.08","112","2","112","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RNH142F1","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0622","0.0434","","","0.0933","0.1005","","","","","","1.032","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560313","21.9099","0.0011","6.5137","0.0004","14.4743","0.0008","90","","115.663","0.002","90","","1861.93","0.18","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","RNH378","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0489","0.0423","","","0.1005","0.1041","","","","","","1.07","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560314","7.3211","0.0002","7.9973","0.0002","8.7918","0.0003","69.178","0.001","74.117","0.001","83.714","0.001","462.72","0.02","103","2","103","2","","","","","","","","4","P -1","-P 1","2","RM445-4-8","","","- C10 H11 N S -","- C10 H11 N S -","- C20 H22 N2 S2 -","2","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0299","0.0266","","","0.0679","0.0704","","","","","","1.065","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560315","12.1957","0.001","7.1469","0.0005","12.4085","0.0011","90","","105.197","0.003","90","","1043.72","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","RM444","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Mayer, Robert J.; Allihn, Patrick W. A.; Hampel, Nathalie; Mayer, Peter; Sieber, Stephan A.; Ofial, Armin R.","Electrophilic reactivities of cyclic enones and α,β-unsaturated lactones","Chemical Science","2021","12","13","4850","4865","10.1039/D0SC06628A","","","0.71073","MoKα","","0.0615","0.0431","","","0.0969","0.1092","","","","","","1.054","","","","has coordinates","265918","2021-06-05","17:55:37",""
"1560316","17.0278","0.0002","37.9099","0.0004","26.2407","0.0003","90","","99.317","0.001","90","","16715.5","0.3","103","2","103.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C144 H123 Au11 Cl6 Cu N3 P7 S3 -","- C144 H123 Au11 Cl6 Cu N3 P7 S3 -","- C576 H492 Au44 Cl24 Cu4 N12 P28 S12 -","4","1","","Wu, Haiming; Fang, Ye-Guang; Anumula, Rajini; Andrew, Gaya N.; Cui, Ganglong; Fang, Weihai; Luo, Zhixun; Yao, Jiannian","A mono-copper doped undeca-gold cluster with up-converted and anti-stokes emissions of fluorescence and phosphorescence.","Nanoscale","2021","13","10","5300","5306","10.1039/d0nr07624d","","","0.71073","MoKα","","0.0513","0.0442","","","0.1106","0.114","","","","","","1.049","","","","has coordinates","263799","2021-04-05","15:06:05",""
"1560318","19.3573","0.0004","11.0456","0.0002","24.549","0.0004","90","","101.158","0.002","90","","5149.68","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 I N O -","- C28 H29 I N O -","- C224 H232 I8 N8 O8 -","8","1","","Tian, Minggang; Sun, Jie; Dong, Baoli; Ma, Yanyan; Lin, Weiying","Dual-Emissive Probe for Reversible Visualization of ΔΨ<sub>m</sub> Revealing Voltage Heterogeneity in a Single Mitochondrion.","Analytical chemistry","2021","93","7","3493","3501","10.1021/acs.analchem.0c04819","","","1.54184","CuKα","","0.0813","0.0724","","","0.2138","0.2366","","","","","","1.091","","","","has coordinates,has disorder","262443","2021-03-04","02:52:54",""
"1560319","9.61","0.008","17.037","0.013","49.01","0.04","83.751","0.008","88.217","0.008","74.756","0.008","7696","11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C256 H477 N60 O72.5 -","- C256 H477 N60 O72.5 -","- C256 H477 N60 O72.5 -","1","1","","Lee, Jin Woo; Collins, Jennifer E.; Wendt, Karen L.; Chakrabarti, Debopam; Cichewicz, Robert H.","Leveraging Peptaibol Biosynthetic Promiscuity for Next-Generation Antiplasmodial Therapeutics.","Journal of natural products","2021","84","2","503","517","10.1021/acs.jnatprod.0c01370","","","0.71073","MoKα","","0.1839","0.1296","","","0.2855","0.327","","","","","","0.997","","","","has coordinates,has disorder","262447","2021-03-04","02:55:22",""
"1560320","8.8225","0.0004","23.3225","0.0013","20.1979","0.001","90","","90","","90","","4156","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 Br2 N2 Ni O6 -","- C46 H48 Br2 N2 Ni O6 -","- C184 H192 Br8 N8 Ni4 O24 -","4","1","","Ma, Xin; Zhang, Yixin; Jian, Zhongbao","Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts","Polymer Chemistry","2021","12","9","1236","1243","10.1039/D0PY01689F","","","1.54178","CuKα","","0.0693","0.0651","","","0.1746","0.1789","","","","","","1.001","","","","has coordinates","263860","2021-04-05","15:22:35",""
"1560321","11.7634","0.0004","19.4057","0.0007","19.6256","0.0007","90","","97.145","0.002","90","","4445.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 Cl N2 O4 Pd -","- C43 H43 Cl N2 O4 Pd -","- C172 H172 Cl4 N8 O16 Pd4 -","4","1","","Ma, Xin; Zhang, Yixin; Jian, Zhongbao","Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts","Polymer Chemistry","2021","12","9","1236","1243","10.1039/D0PY01689F","","","1.54178","CuKα","","0.099","0.0829","","","0.1811","0.1936","","","","","","0.943","","","","has coordinates,has disorder","263860","2021-04-05","15:22:36",""
"1560322","24.6463","0.0016","40.129","0.003","8.8579","0.0005","90","","97.615","0.002","90","","8683.5","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55.5 Br2 N2 Ni O2 -","- C50 H55.5 Br2 N2 Ni O2 -","- C400 H444 Br16 N16 Ni8 O16 -","8","2","","Ma, Xin; Zhang, Yixin; Jian, Zhongbao","Tunable branching and living character in ethylene polymerization using “polyethylene glycol sandwich” α-diimine nickel catalysts","Polymer Chemistry","2021","12","9","1236","1243","10.1039/D0PY01689F","","","1.54178","CuKα","","0.1439","0.0989","","","0.2707","0.2999","","","","","","1.131","","","","has coordinates","263860","2021-04-05","15:22:36",""
"1560347","12.0433","0.0019","9.2013","0.0015","14.945","0.002","90","","101.24","0.003","90","","1624.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.5 H4.5 Br0.5 N0.25 O0.25 -","- C14 H18 Br2 N O -","- C56 H72 Br8 N4 O4 -","4","1","","Ruan, Yang; Li, Qian-Hui; Shu, Lijin; Wan, Jun-Hua","A shape-persistent arylene ethynylene macrocycle with a multiple acetamide modified cavity: synthesis and gelation.","Soft matter","2021","17","11","3242","3249","10.1039/d0sm02144j","","","0.71073","MoKα","","0.1138","0.0513","","","0.1418","0.1756","","","","","","1.007","","","","has coordinates","263862","2021-04-05","15:23:10",""
"1560366","8.204","0.003","9.7","0.005","11.33","0.005","80.975","0.015","81.242","0.017","78.726","0.017","866.4","0.7","93","","93","","","","","","","","","5","P -1","-P 1","2","","9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","","- C20 H22 B N O2 -","- C20 H22 B N O2 -","- C40 H44 B2 N2 O4 -","2","1","TK4068","Kanagawa, Mayu; Akagi, Kazuto; Okuno, Tsunehisa","9-[(<i>Z</i>)-2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-9<i>H</i>-carbazole","IUCrData","2021","6","2","x210142","","10.1107/S2414314621001425","","","0.71075","MoKα","","0.0663","0.0536","","","0.1371","0.1478","","","","","","1.04","","","","has coordinates,has Fobs","261943","2021-02-13","06:30:07",""
"1560367","9.4091","0.0012","15.768","0.003","25.766","0.005","90","","94.907","0.003","90","","3808.7","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 K Mn N3 O12 -","- C35 H51 K Mn N3 O12 -","- C140 H204 K4 Mn4 N12 O48 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.1054","0.0845","","","0.2174","0.2382","","","","","","1.026","","","","has coordinates,has disorder","265921","2021-06-05","17:56:33",""
"1560368","10.5955","0.0004","10.5011","0.0004","15.0027","0.0006","90","","94.048","0.001","90","","1665.1","0.11","100","","100.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 Br Mn N3 O4 -","- C16 H13 Br Mn N3 O4 -","- C64 H52 Br4 Mn4 N12 O16 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.0293","0.0227","","","0.0491","0.0515","","","","","","1.023","","","","has coordinates","265921","2021-06-05","17:56:33",""
"1560369","10.65","0.004","9.121","0.004","16.456","0.006","90","","100.266","0.012","90","","1572.9","1.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br Mn N3 O4 -","- C15 H11 Br Mn N3 O4 -","- C60 H44 Br4 Mn4 N12 O16 -","4","1","","Yang, Yong; Ertem, Mehmed Z.; Duan, Lele","An amide-based second coordination sphere promotes the dimer pathway of Mn-catalyzed CO2-to-CO reduction at low overpotential","Chemical Science","2021","12","13","4779","4788","10.1039/D0SC05679K","","x-ray","0.71073","MoKα","","0.0353","0.0287","","","0.0682","0.0709","","","","","","1.038","","","","has coordinates","265921","2021-06-05","17:56:34",""
"1560370","6.8601","0.0004","20.5081","0.0011","7.345","0.0004","90","","92.708","0.001","90","","1032.2","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","","Yang, Jinghui; Xia, Yan","Mechanochemical generation of acid-degradable poly(enol ether)s","Chemical Science","2021","12","12","4389","4394","10.1039/D1SC00001B","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0775","0.0776","","","","","","1.019","","","","has coordinates","263712","2021-04-05","14:29:25",""
"1560371","10.535","0.0008","6.4885","0.0005","18.7172","0.0017","90","","92.323","0.002","90","","1278.39","0.18","100","2","100","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C9 H15 B F4 N6 -","- C9 H15 B F4 N6 -","- C36 H60 B4 F16 N24 -","4","0.5","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0844","0.0628","","","0.1506","0.1569","","","","","","1.574","","","","has coordinates","263694","2021-04-05","14:22:18",""
"1560372","7.1669","0.0008","9.7427","0.0014","11.6885","0.0015","90.304","0.004","91.835","0.006","105.407","0.004","786.33","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 B2 F8 N6 -","- C9 H16 B2 F8 N6 -","- C18 H32 B4 F16 N12 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0418","0.0327","","","0.0779","0.0827","","","","","","1.018","","","","has coordinates","263694","2021-04-05","14:22:19",""
"1560373","10.15","0.02","11.83","0.03","15.93","0.04","97.92","0.09","92.65","0.07","102.91","0.07","1841","8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 B4 F16 N14 -","- C22 H34 B4 F16 N14 -","- C44 H68 B8 F32 N28 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.0666","0.0465","","","0.1137","0.136","","","","","","1.1245","","","","has coordinates","263694","2021-04-05","14:22:19",""
"1560374","11.052","0.003","14.637","0.004","21.244","0.005","85.032","0.007","81.796","0.008","77.855","0.007","3319.6","1.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H57 Ag4 B4 F15.987 N27 -","- C42 H57 Ag4 B4 F15.9867 N27 -","- C84 H114 Ag8 B8 F31.9733 N54 -","2","1","","Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit","The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac","Chemical Science","2021","12","9","3170","3178","10.1039/D0SC06957D","","","0.71073","MoKα","","0.085","0.0571","","","0.1046","0.1146","","","","","","1.0461","","","","has coordinates,has disorder","263694","2021-04-05","14:22:19",""
"1560436","7.4781","0.0001","7.4781","0.0001","33.0219","0.001","90","","90","","90","","1846.65","0.07","150","","150","","","","","","","","","3","P 43","P 4cw","78","","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","","- C13 H10 O2 -","- C13 H10 O2 -","- C104 H80 O16 -","8","2","HB4372","Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima","2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione","IUCrData","2021","6","2","x210167","","10.1107/S241431462100167X","","x-ray","0.71073","MoKα","","0.0689","0.0598","","","0.1642","0.1822","","","","","","1.0523","","","","has coordinates,has Fobs","262022","2021-02-17","06:13:37",""
"1560437","11.9747","0.0006","15.6483","0.0007","17.8804","0.0008","90","","95.292","0.004","90","","3336.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate","","- C28 H40 Cd2 Cl4 N6 O -","- C28 H40 Cd2 Cl4 N6 O -","- C112 H160 Cd8 Cl16 N24 O4 -","4","1","HB4375","Al-Sudani, Abdul-Razak H.; Abdulridha, Myasim Qasim; Kariuki, Benson M.","Di-μ-chlorido-bis(chlorido{8-[2-(dimethylamino)ethylamino]quinoline}cadmium) ethanol monosolvate","IUCrData","2021","6","2","x210150","","10.1107/S2414314621001504","","","0.71073","MoKα","","0.0667","0.0361","","","0.0714","0.0861","","","","","","1.046","","","","has coordinates,has Fobs","262023","2021-02-17","06:14:01",""
"1560480","11.9618","0.0003","16.8603","0.0004","23.0411","0.0006","90","","90","","90","","4646.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","n-Butyltin(IV) benzoate","","- C25 H24 O6 Sn -","- C25 H24 O6 Sn -","- C200 H192 O48 Sn8 -","8","1","","Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J.","Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification","Catalysis Science & Technology","2021","11","10","3326","3332","10.1039/D1CY00184A","","","0.71073","MoKα","","0.0478","0.0277","","","0.0497","0.0553","","","","","","1.049","","","","has coordinates","265830","2021-06-05","17:10:18",""
"1560481","8.09943","0.00019","31.2756","0.0009","13.9351","0.0005","90","","98.024","0.003","90","","3495.4","0.18","294.1","0.3","294.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 Cl2 N2 O2 -","- C43 H34 Cl2 N2 O2 -","- C172 H136 Cl8 N8 O8 -","4","1","","Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong","Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials","Materials Horizons","2021","8","5","1499","1508","10.1039/D0MH02032J","","x-ray","1.54184","CuKα","","0.078","0.0662","","","0.1847","0.2029","","","","","","1.025","","","","has coordinates","266182","2021-06-05","19:33:43",""
"1560482","10.5918","0.0004","11.6746","0.0005","13.726","0.0005","103.723","0.003","94.505","0.003","107.201","0.004","1554.74","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H32 N2 O2 -","- C42 H32 N2 O2 -","- C84 H64 N4 O4 -","2","1","","Huang, Quan; Guo, Qiang; Lan, Jingbo; Su, Rongchuan; Ran, You; Yang, Yudong; Bin, Zhengyang; You, Jingsong","Mechanically induced single-molecule white-light emission of excited-state intramolecular proton transfer (ESIPT) materials","Materials Horizons","2021","8","5","1499","1508","10.1039/D0MH02032J","","x-ray","1.54184","CuKα","","0.0616","0.0568","","","0.149","0.1563","","","","","","1.024","","","","has coordinates","266182","2021-06-05","19:33:43",""
"1560486","23.488","0.004","13.488","0.003","6.8185","0.0012","90","","90","","90","","2160.1","0.7","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H16 F4 N2 O2 -","- C26 H16 F4 N2 O2 -","- C104 H64 F16 N8 O8 -","4","1","","Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya","Fast T-Type Photochromic Crystals of Diarylbenzene","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.0c10988","","","0.71075","MoKα","","0.0322","0.0303","","","0.0708","0.0722","","","","","","1.056","","","","has coordinates","262093","2021-02-20","00:23:48",""
"1560487","7.5367","0.0005","12.1564","0.0008","24.9857","0.0016","90","","90","","90","","2289.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 F4 N2 S2 -","- C26 H16 F4 N2 S2 -","- C104 H64 F16 N8 S8 -","4","1","","Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya","Fast T-Type Photochromic Crystals of Diarylbenzene","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.0c10988","","","0.71075","MoKα","","0.0374","0.0343","","","0.0756","0.0774","","","","","","1.08","","","","has coordinates","262094","2021-02-20","00:24:12",""
"1560488","12.6491","0.0002","25.0889","0.0005","6.7996","0.0002","90","","90.0296","0.0019","90","","2157.87","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F2 N2 S2 -","- C26 H18 F2 N2 S2 -","- C104 H72 F8 N8 S8 -","4","1","","Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya","Fast T-Type Photochromic Crystals of Diarylbenzene","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.0c10988","","","0.71075","MoKα","","0.0398","0.036","","","0.0951","0.0983","","","","","","1.024","","","","has coordinates","262095","2021-02-20","00:24:36",""
"1560489","12.153","0.003","12.359","0.003","14.189","0.004","112.1","0.03","108.14","0.03","93.93","0.02","1834.3","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 -","- C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 -","- C54.6 H59.2 Cl5.2 I2 O22 Si2 Zn6 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.0879","0.0657","","","0.2001","0.213","","","","","","1.047","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560490","15.325","0.003","15.605","0.003","36.005","0.004","90","","91.41","0.02","90","","8608","3","104","2","104","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Mg2 O15 -","- C42 H54 Mg2 O15 -","- C336 H432 Mg16 O120 -","8","2","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54178","CuKα","","0.0735","0.0693","","","0.198","0.2026","","","","","","1.109","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560491","11.256","0.003","11.97","0.003","12.208","0.003","74.86","0.02","64.78","0.02","63.45","0.02","1326","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Li2 Mg2 O20 -","- C56 H58 Li2 Mg2 O20 -","- C56 H58 Li2 Mg2 O20 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54184","CuKα","","0.0538","0.052","","","0.1424","0.1455","","","","","","1.023","","","","has coordinates","282777","2023-04-20","11:56:52",""
"1560492","12.842","0.003","14.112","0.003","19.578","0.003","83.06","0.03","85.31","0.03","64.38","0.03","3174","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H74 Mg2 Na2 O22 -","- C64 H74 Mg2 Na2 O22 -","- C128 H148 Mg4 Na4 O44 -","2","1","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.1022","0.0655","","","0.1535","0.18","","","","","","1.048","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560493","17.645","0.003","17.645","0.002","20.477","0.003","90","","90","","90","","6375.4","1.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C64 H74 K2 Mg2 O22 -","- C64 H74 K2 Mg2 O22 -","- C256 H296 K8 Mg8 O88 -","4","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","1.54178","CuKα","","0.0437","0.0403","","","0.1025","0.1048","","","","","","1.063","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1560494","11.011","0.003","11.886","0.003","12.07","0.003","74.65","0.02","66.16","0.02","63.99","0.02","1291.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Cl4 Li2 O18 Zn2 -","- C50 H46 Cl4 Li2 O18 Zn2 -","- C50 H46 Cl4 Li2 O18 Zn2 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.0494","0.0454","","","0.1254","0.1286","","","","","","1.093","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1560495","11.298","0.003","11.637","0.003","12.267","0.003","109.29","0.03","104.32","0.03","99.73","0.03","1418.5","0.8","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H58 Na2 O20 Zn2 -","- C56 H58 Na2 O20 Zn2 -","- C56 H58 Na2 O20 Zn2 -","1","0.5","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.0997","0.0745","","","0.1932","0.2266","","","","","","1.044","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1560496","16.603","0.002","17.941","0.003","25.607","0.005","90","","90.3","0.02","90","","7628","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl4 Na2 O12 Zn -","- C34 H32 Cl4 Na2 O12 Zn -","- C272 H256 Cl32 Na16 O96 Zn8 -","8","2","","Petrus, Rafał; Utko, Józef; Gniłka, Radosław; Fleszar, Mariusz G.; Lis, Tadeusz; Sobota, Piotr","Solvothermal Alcoholysis Method for Recycling High-Consistency Silicone Rubber Waste","Macromolecules","2021","54","5","2449","2465","10.1021/acs.macromol.0c02773","","","0.71073","MoKα","","0.056","0.0383","","","0.0863","0.095","","","","","","1.04","","","","has coordinates","283778","2023-05-15","10:49:46",""
"1560497","8.2268","0.0003","14.3426","0.0006","14.7546","0.0006","90","","90","","90","","1740.95","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl Ir N O2 -","- C18 H23 Cl Ir N O2 -","- C72 H92 Cl4 Ir4 N4 O8 -","4","1","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0147","0.0145","","","0.033","0.033","","","","","","1.189","","","","has coordinates","264852","2021-05-05","07:54:59",""
"1560498","8.7487","0.001","17.713","0.002","20.308","0.003","73.261","0.004","89.913","0.004","83.794","0.004","2994.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl4 F2 Ir2 -","- C30 H32 Cl4 F2 Ir2 -","- C120 H128 Cl16 F8 Ir8 -","4","2","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0815","0.0612","","","0.1395","0.1479","","","","","","1.074","","","","has coordinates,has disorder","264852","2021-05-05","07:55:00",""
"1560499","9.4132","0.0009","16.3463","0.0012","31.8","0.003","90","","91.407","0.003","90","","4891.6","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H43 Cl3 N6 Ni -","- C57 H43 Cl3 N6 Ni -","- C228 H172 Cl12 N24 Ni4 -","4","1","","Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël","Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors","Chemical Science","2021","12","13","4709","4721","10.1039/D0SC06379G","","","0.71073","MoKα","","0.1321","0.0667","","","0.1487","0.1852","","","","","","1.03","","","","has coordinates,has disorder","265917","2021-06-05","17:55:23",""
"1560500","16.1291","0.0006","19.1492","0.0007","24.8626","0.001","75.72","0.003","89.677","0.003","66.509","0.003","6787.8","0.5","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C127 H101 B Br4 N12 Ni Ru S3 -","- C127 H101 B Br4 N12 Ni Ru S3 -","- C254 H202 B2 Br8 N24 Ni2 Ru2 S6 -","2","1","","Abid, Seifallah; Gisbert, Yohan; Kojima, Mitsuru; Saffon-Merceron, Nathalie; Cuny, Jérôme; Kammerer, Claire; Rapenne, Gwénaël","Desymmetrised pentaporphyrinic gears mounted on metallo-organic anchors","Chemical Science","2021","12","13","4709","4721","10.1039/D0SC06379G","","","1.54178","CuKα","","0.1019","0.0587","","","0.1477","0.1733","","","","","","0.976","","","","has coordinates,has disorder","265917","2021-06-05","17:55:24",""
"1560501","9.15691","0.00007","16.71291","0.00019","17.53844","0.00017","90","","90","","90","","2684.06","0.05","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Br O3 P -","- C28 H36 Br O3 P -","- C112 H144 Br4 O12 P4 -","4","1","","Huang, Qiu-Hong; Zhou, Qian-Yi; Yang, Chen; Chen, Li; Cheng, Jin-Pei; Li, Xin","Access to P-stereogenic compounds via desymmetrizing enantioselective bromination","Chemical Science","2021","12","12","4582","4587","10.1039/D0SC07008D","","x-ray","1.54184","CuKα","","0.0398","0.0381","","","0.1076","0.1094","","","","","","1.039","","","","has coordinates,has disorder","263708","2021-04-05","14:28:16",""
"1560502","8.9798","0.0001","11.0389","0.0001","17.2809","0.0001","90","","90","","90","","1713.01","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54184","CuKα","","0.0248","0.0246","","","0.064","0.0641","","","","","","1.092","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560503","9.1038","0.0003","11.1728","0.0004","17.3015","0.0006","90","","90","","90","","1759.82","0.11","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54178","CuKα","","0.0304","0.0296","","","0.0838","0.085","","","","","","1.01","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560504","7.4407","0.0001","11.6989","0.0001","28.3425","0.0002","90","","90","","90","","2467.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Cl2 O5 -","- C26 H32 Cl2 O5 -","- C104 H128 Cl8 O20 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","x-ray","1.54184","CuKα","","0.0289","0.0286","","","0.0746","0.0748","","","","","","1.074","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560527","11.3287","0.0004","11.3287","0.0004","29.3678","0.0014","90","","90","","120","","3264.1","0.2","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C40 H52 B20 -","- C40 H52 B20 -","- C120 H156 B60 -","3","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0555","0.0514","","","0.123","0.1259","","","","","","1.077","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560528","33.909","0.003","13.6784","0.0011","13.6791","0.0011","90","","108.58","0.002","90","","6014","0.9","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H38 B20 Cl2 -","- C18 H38 B20 Cl2 -","- C144 H304 B160 Cl16 -","8","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1174","0.0692","","","0.1802","0.2243","","","","","","1.017","","","","has coordinates,has disorder","265935","2021-06-05","18:02:40",""
"1560529","11.7538","0.0005","12.8616","0.0006","21.8976","0.0009","90","","90","","90","","3310.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H46 B20 Cl2 -","- C22 H46 B20 Cl2 -","- C88 H184 B80 Cl8 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0477","0.0378","","","0.1002","0.1081","","","","","","1.045","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560530","11.4361","0.0006","19.1205","0.001","21.4742","0.0009","90","","94.001","0.0014","90","","4684.2","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H60 B20 -","- C44 H60 B20 -","- C176 H240 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.067","0.0526","","","0.1472","0.1633","","","","","","1.04","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560531","13.3453","0.0007","16.5248","0.0007","18.4539","0.0009","82.5401","0.0013","78.3148","0.0014","83.5363","0.0014","3935.9","0.3","285","2","285","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H54.5 B20 O0.25 -","- C27 H54.5 B20 O0.25 -","- C108 H218 B80 O -","4","2","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1066","0.0746","","","0.2134","0.245","","","","","","1.029","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560532","24.2513","0.001","10.403","0.0004","18.2107","0.0007","90","","120.094","0.0011","90","","3975","0.3","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 B20 -","- C30 H60 B20 -","- C120 H240 B80 -","4","0.5","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0945","0.0833","","","0.2454","0.2604","","","","","","1.046","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560533","10.3911","0.0005","13.0014","0.0006","24.381","0.0011","90","","90","","90","","3293.8","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H48 B20 -","- C22 H48 B20 -","- C88 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0513","0.0437","","","0.1131","0.1194","","","","","","1.092","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560534","13.3754","0.0013","13.4901","0.0013","19.9071","0.0019","90","","91.104","0.003","90","","3591.3","0.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 B20 -","- C26 H56 B20 -","- C104 H224 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0864","0.0705","","","0.1674","0.1781","","","","","","1.114","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560535","13.2519","0.0006","11.98","0.0005","21.8685","0.001","90","","105.683","0.0014","90","","3342.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 B20 -","- C24 H54 B20 -","- C96 H216 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0877","0.0582","","","0.1492","0.1737","","","","","","1.037","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560536","11.326","0.002","12.468","0.002","15.493","0.003","108.096","0.005","95.522","0.005","104.001","0.005","1982.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H62 B20 Si2 -","- C26 H62 B20 Si2 -","- C52 H124 B40 Si4 -","2","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1178","0.0914","","","0.2006","0.2156","","","","","","1.117","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560537","11.6972","0.0006","13.3199","0.0007","15.5282","0.0008","75.8963","0.0014","79.1092","0.0015","66.3809","0.0014","2138.51","0.19","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H59 B20 -","- C38 H59 B20 -","- C76 H118 B40 -","2","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0661","0.0577","","","0.1624","0.174","","","","","","1.033","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560538","11.0591","0.0006","17.981","0.001","17.9274","0.0009","90","","92.3086","0.0015","90","","3562","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H48 B20 -","- C27 H48 B20 -","- C108 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1622","0.0929","","","0.2427","0.3175","","","","","","1.031","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560539","11.1066","0.0008","27.939","0.002","12.8423","0.0009","90","","90.244","0.002","90","","3985","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B10 -","- C14 H30 B10 -","- C112 H240 B80 -","8","2","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.1124","0.0945","","","0.2125","0.2237","","","","","","1.166","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560599","25.7763","0.0005","25.7763","0.0005","17.9852","0.0004","90","","90","","120","","10348.7","0.4","149.99","0.14","149.99","0.14","","","","","","","","4","R -3 :H","-R 3","148","","","","- C30 H18 N4 S -","- C30 H18 N4 S -","- C540 H324 N72 S18 -","18","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0462","0.041","","","0.1044","0.1108","","","","","","1.032","","","","has coordinates","265925","2021-06-05","17:57:40",""
"1560600","10.6634","0.0007","10.9432","0.0006","18.341","0.001","88.604","0.005","83.994","0.005","82.942","0.005","2112.2","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H52 Cl2 N4 S -","- C47 H52 Cl2 N4 S -","- C94 H104 Cl4 N8 S2 -","2","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","x-ray","1.54184","CuKα","","0.0865","0.0664","","","0.1719","0.1938","","","","","","1.023","","","","has coordinates","265925","2021-06-05","17:57:41",""
"1560601","12.041","0.0011","15.9608","0.0015","16.4529","0.0014","114.757","0.004","104.294","0.004","93.279","0.005","2735.8","0.4","207","2","207","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H72 N4 S -","- C64 H72 N4 S -","- C128 H144 N8 S2 -","2","1","","Liu, Tiantian; Chen, Xiaojie; Zhao, Juan; Wei, Weichun; Mao, Zhu; Wu, William; Jiao, Shibo; Liu, Yang; Yang, Zhiyong; Chi, Zhenguo","Hybridized local and charge-transfer excited state fluorophores enabling organic light-emitting diodes with record high efficiencies close to 20%","Chemical Science","2021","12","14","5171","5176","10.1039/D1SC00272D","","","0.71073","MoKα","","0.1862","0.1335","","","0.3389","0.3664","","","","","","1.041","","","","has coordinates","265925","2021-06-05","17:57:41",""
"1560602","9.9631","0.0003","9.1494","0.0002","13.3605","0.0004","90","","102.001","0.003","90","","1191.28","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H23 F O5 -","- C29 H23 F O5 -","- C58 H46 F2 O10 -","2","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0508","0.0475","","","0.1143","0.1168","","","","","","1.022","","","","has coordinates","265916","2021-06-05","17:54:50",""
"1560603","7.3867","0.0002","19.0785","0.0005","9.3357","0.0002","90","","111.972","0.003","90","","1220.09","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 F O2 -","- C15 H15 F O2 -","- C60 H60 F4 O8 -","4","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0467","0.0415","","","0.1056","0.1096","","","","","","1.091","","","","has coordinates","265916","2021-06-05","17:54:55",""
"1560604","12.28538","0.00014","20.3181","0.0002","8.91344","0.0001","90","","99.0372","0.0011","90","","2197.31","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F N O4 -","- C28 H20 F N O4 -","- C112 H80 F4 N4 O16 -","4","1","","Zheng, Haifeng; Wang, Rui; Wang, Kan; Wherritt, Daniel; Arman, Hadi; Doyle, Michael P.","Formal [4 + 4]-, [4 + 3]-, and [4 + 2]-cycloaddition reactions of donor‒acceptor cyclobutenes, cyclopropenes and siloxyalkynes induced by Brønsted acid catalysis","Chemical Science","2021","12","13","4819","4824","10.1039/D1SC00158B","","x-ray","1.54184","CuKα","","0.0394","0.0356","","","0.0915","0.0947","","","","","","1.057","","","","has coordinates","265916","2021-06-05","17:55:06",""
"1560605","9.6802","0.0007","11.1157","0.0008","19.9995","0.0015","74.62","0.001","88.918","0.001","78.973","0.002","2035.5","0.3","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 Cl2 Na O6 -","- C44 H49 Cl2 Na O6 -","- C88 H98 Cl4 Na2 O12 -","2","1","","Wang, Xinya; Wang, Xiaohua; Zhen, Nuo; Gu, Jin; Zhang, Hao; Dong, Bo; Wang, Feng; Liu, Heng","Sodium complexes bearing cavity-like conformations: a highly active and well-controlled catalytic system for macrolactone homo- and copolymerization","Polymer Chemistry","2021","12","13","1957","1966","10.1039/D0PY01580F","","","0.71073","MoKα","","0.1467","0.0899","","","0.2331","0.2782","","","","","","1.053","","","","has coordinates","264966","2021-05-05","09:07:54",""
"1560621","9.2156","0.0002","20.0257","0.0006","21.5606","0.0006","114.68","0.003","94.469","0.002","98.787","0.002","3528.32","0.19","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C56.08 H50 Cl12.16 N4 Ni Sb -","- C56.054 H50 Cl12.105 N4 Ni Sb0.9995 -","- C112.108 H100 Cl24.21 N8 Ni2 Sb1.999 -","2","1","","Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi","Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin","Chemical Science","2021","12","14","5224","5229","10.1039/D1SC00438G","","","0.71075","MoKα","","0.2397","0.1965","","","0.5232","0.5915","","","","","","1.104","","","","has coordinates,has disorder","265922","2021-06-05","17:56:46",""
"1560622","21.0654","0.0006","22.4572","0.0006","25.0542","0.0007","104.279","0.002","98.423","0.002","111.649","0.002","10298.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C254 H248 N16 Ni4 -","- C254 H248 N16 Ni4 -","- C508 H496 N32 Ni8 -","2","1","","Miyagawa, Kazuya; Hisaki, Ichiro; Fukui, Norihito; Shinokubo, Hiroshi","Redox-induced reversible [2 + 2] cycloaddition of an etheno-fused diporphyrin","Chemical Science","2021","12","14","5224","5229","10.1039/D1SC00438G","","","0.81104","synchrotron","","0.1376","0.0926","","","0.2561","0.2855","","","","","","1.061","","","","has coordinates","265922","2021-06-05","17:56:46",""
"1560703","13.0437","0.0002","24.3865","0.0005","28.8657","0.0005","90","","101.971","0.002","90","","8982.2","0.3","173","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cl2 Ir N8 Pt -","- C54.5 H32 Cl2 Ir N8 Pt -","- C436 H256 Cl16 Ir8 N64 Pt8 -","8","1","","Wu, Si-Hai; Ma, Dian-Xue; Gong, Zhong-Liang; Ma, Junjie; Shao, Jiang-Yang; Yang, Rong; Zhong, Yu-Wu","Synthesis, Photophysical, and Computational Studies of a Bridged Ir^III^-Pt^II^ Heterodimetallic Complex","Crystals","2021","11","3","236","","10.3390/cryst11030236","","","0.71073","MoKα","","0.0543","0.0442","","","0.112","0.1179","","","","","","1.087","","","","has coordinates","262275","2021-02-26","15:42:47",""
"1560704","19.5794","0.0007","9.9646","0.0004","12.819","0.0004","90","","113.599","0.001","90","","2291.84","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H30 N2 O5 -","- C23 H30 N2 O5 -","- C92 H120 N8 O20 -","4","1","","Chear, Nelson Jeng-Yeou; León, Francisco; Sharma, Abhisheak; Kanumuri, Siva Rama Raju; Zwolinski, Grant; Abboud, Khalil A.; Singh, Darshan; Restrepo, Luis F.; Patel, Avi; Hiranita, Takato; Ramanathan, Surash; Hampson, Aidan J.; McMahon, Lance R.; McCurdy, Christopher R.","Exploring the Chemistry of Alkaloids from Malaysian Mitragyna speciosa (Kratom) and the Role of Oxindoles on Human Opioid Receptors","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01055","","","1.54178","CuKα","","0.0461","0.0451","","","0.1252","0.1265","","","","","","1.031","","","","has coordinates","262282","2021-02-27","00:16:37",""
"1560705","4.9167","0.0002","16.6655","0.0007","11.2024","0.0004","90","","98.726","0.004","90","","907.29","0.06","130.01","0.1","130.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 O5 -","- C11 H8 O5 -","- C44 H32 O20 -","4","1","","Norman, Edward Owen; Tuohey, Hayden; Pizzi, David; Saidah, Milane; Bell, Rachael; Brkljača, Robert; White, Jonathan M.; Gasser, Robin B.; Taki, Aya C.; Urban, Sylvia","Phytochemical Profiling and Biological Activity of the Australian Carnivorous Plant, <i>Drosera magna</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c00869","","x-ray","1.54184","CuKα","","0.0507","0.0426","","","0.1195","0.127","","","","","","1.055","","","","has coordinates","262283","2021-02-27","00:16:58",""
"1560706","10.6982","0.0003","19.8473","0.0008","16.7642","0.0006","90","","90","","90","","3559.5","0.2","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","","- C19 H22 F N5 O -","- C19 H22 F N5 O -","- C152 H176 F8 N40 O8 -","8","1","BT4108","Andreev, Stanislav; Schollmeyer, Dieter; Koch, Pierre","1-{3-[(7-Fluoro-9<i>H</i>-pyrimido[4,5-<i>b</i>]indol-4-yl)(methyl)amino]piperidin-1-yl}propan-1-one","IUCrData","2021","6","2","x210159","","10.1107/S2414314621001590","","","0.71073","MoKα","","0.1099","0.0689","","","0.1659","0.194","","","","","","1.141","","","","has coordinates,has Fobs","262301","2021-02-27","06:14:57",""
"1560707","25.375","0.0004","25.375","0.0004","8.6456","0.0002","90","","90","","90","","5566.82","0.18","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","","- C30 H31 N O3 S2 -","- C30 H31 N O3 S2 -","- C240 H248 N8 O24 S16 -","8","1","BV4035","Vinotha, G.; Sundar, T. V.; Sharmila, N.","13-Benzyl-4,11-dihydroxy-1,8-diphenyl-2,9-dithia-13-azadispiro[4.1.4.3]tetradecan-6-one","IUCrData","2021","6","2","x210210","","10.1107/S2414314621002108","","","0.71073","MoKα","","0.0557","0.043","","","0.1038","0.1102","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","262302","2021-02-27","06:15:23",""
"1560708","18.248","0.004","10.304","0.002","27.541","0.006","90","","101.41","0.03","90","","5076.1","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate","","- C28 H24 N3 O6.5 -","- C28 H24 N3 O6.5 -","- C224 H192 N24 O52 -","8","2","XU4043","Li, Yu-Long; Zhou, Jin; Jiang, Hong; Sun, Hong-Shun; Li, Rui-Zhe; Liu, Sha-Li; Zhang, Xu-Dong","Dimethyl 3,3'-[(4-nitrophenyl)methylene]bis(1<i>H</i>-indole-2-carboxylate) ethanol hemisolvate","IUCrData","2021","6","2","x210057","","10.1107/S2414314621000572","","","0.71073","MoKα","","0.2491","0.104","","","0.16","0.2129","","","","","","1.198","","","","has coordinates,has Fobs","275434","2022-05-16","05:31:58",""
"1560717","14.8018","0.0004","16.4349","0.0004","19.1348","0.0005","90","","102.494","0.001","90","","4544.6","0.2","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17.5 H29 N9 Ni O0.5 S2 -","- C17.5 H29 N9 Ni O0.5 S2 -","- C140 H232 N72 Ni8 O4 S16 -","8","2","","Rubín-Osanz, Marcos; Lambert, François; Shao, Feng; Rivière, Eric; Guillot, Régis; Suaud, Nicolas; Guihéry, Nathalie; Zueco, David; Barra, Anne-Laure; Mallah, Talal; Luis, Fernando","Chemical tuning of spin clock transitions in molecular monomers based on nuclear spin-free Ni(ii)","Chemical Science","2021","12","14","5123","5133","10.1039/D0SC05856D","","","0.71073","MoKα","","0.0487","0.0368","","","0.0975","0.1085","","","","","","1.06","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1560718","10.2559","0.0003","15.7584","0.0005","16.1989","0.0006","67.534","0.001","71.56","0.001","75.75","0.001","2271.55","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cl6 N8 S6 -","- C38 H38 Cl6 N8 S6 -","- C76 H76 Cl12 N16 S12 -","2","1","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0533","0.0505","","","0.139","0.1418","","","","","","1.064","","","","has coordinates","265924","2021-06-05","17:57:18",""
"1560719","12.8314","0.0003","15.7916","0.0003","21.178","0.0005","90","","92.517","0.001","90","","4287.12","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H45 N8 S6 -","- C45 H45 N8 S6 -","- C180 H180 N32 S24 -","4","1","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0441","0.0341","","","0.0693","0.0758","","","","","","1.045","","","","has coordinates","265924","2021-06-05","17:57:18",""
"1560720","14.1011","0.0009","14.1412","0.0008","41.847","0.003","90","","90","","90","","8344.6","0.9","120.72","","120.72","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C42 H48 N8 S6 -","- C42 H48 N8 S6 -","- C336 H384 N64 S48 -","8","2","","Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.","Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages","Chemical Science","2021","12","14","5315","5318","10.1039/D1SC00440A","","","1.54178","CuKα","","0.0839","0.0699","","","0.1598","0.1666","","","","","","1.027","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1560721","12.5541","0.0004","12.5541","0.0004","12.5541","0.0004","90","","90","","90","","1978.59","0.11","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3ZnZrGe3O12 garnet","","","- Ca3 Ge3 O12 Zn Zr -","- Ca3 Ge3 O12 Zn Zr -","- Ca24 Ge24 O96 Zn8 Zr8 -","8","0.0833333","","Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L.","Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics","Journal of Asian Ceramic Societies","2021","9","","424","432","10.1080/21870764.2021.1879364","","","","","","","","","","","","","","","","","","","","","has coordinates","262328","2021-03-02","00:36:04",""
"1560722","12.5199","0.0002","12.5199","0.0002","12.5199","0.0002","90","","90","","90","","1962.47","0.05","","","298","","","","100","","","","","5","I a -3 d","-I 4bd 2c 3","230","Ca3CoZrGe3O12 garnet","","","- Ca3 Co Ge3 O12 Zr -","- Ca3 Co Ge3 O12 Zr -","- Ca24 Co8 Ge24 O96 Zr8 -","8","0.0833333","","Su, C.; Fang, L.; Ao, L.; Chen, J.; Sun, C.; Yang, A.; Tang, Y.; Liu, L.","Structure, Raman spectra and microwave dielectric properties of novel garnet-type Ca3MZrGe3O12 (M = Co, Zn) ceramics","Journal of Asian Ceramic Societies","2021","9","","424","432","10.1080/21870764.2021.1879364","","","","","","","","","","","","","","","","","","","","","has coordinates","262329","2021-03-02","00:38:35",""
"1560723","11.204","0.005","17.824","0.005","15.275","0.005","90","0.005","97.916","0.005","90","0.005","3021.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 N3 P Si3 -","- C26 H46 N3 P Si3 -","- C104 H184 N12 P4 Si12 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Interconversion between a silaimine and an aminosilylene supported by an iminophosphonamide ligand.","Chemical communications (Cambridge, England)","2021","57","26","3203","3206","10.1039/d1cc00667c","","","0.71069","MoKα","","0.0418","0.0362","","","0.1028","0.1062","","","","","","1.013","","","","has coordinates","263634","2021-04-05","13:58:17",""
"1560724","10.9693","0.0008","19.9448","0.0015","15.9939","0.0012","90","","91.8748","0.001","90","","3497.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 N3 P Se Si3 -","- C32 H52 N3 P Se Si3 -","- C128 H208 N12 P4 Se4 Si12 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Interconversion between a silaimine and an aminosilylene supported by an iminophosphonamide ligand.","Chemical communications (Cambridge, England)","2021","57","26","3203","3206","10.1039/d1cc00667c","","","0.71073","MoKα","","0.0377","0.0334","","","0.0841","0.0861","","","","","","1.029","","","","has coordinates,has disorder","263634","2021-04-05","13:58:21",""
"1560725","15.6803","0.0019","10.0386","0.0012","42.425","0.005","90","","92.403","0.002","90","","6672.2","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl N2 P Se Si -","- C20 H28 Cl N2 P Se Si -","- C240 H336 Cl12 N24 P12 Se12 Si12 -","12","1.5","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Interconversion between a silaimine and an aminosilylene supported by an iminophosphonamide ligand.","Chemical communications (Cambridge, England)","2021","57","26","3203","3206","10.1039/d1cc00667c","","","0.71073","MoKα","","0.0757","0.0525","","","0.133","0.1404","","","","","","1.01","","","","has coordinates,has disorder","263634","2021-04-05","13:58:21",""
"1560726","9.1493","0.0014","10.1833","0.0015","13.22","0.002","90","","108.244","0.003","90","","1169.8","0.3","100","2","99.98","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","bis(N,N-dimetylformamide)-perchlorato sodium","","- C6 H14 Cl N2 Na O6 -","- C6 H14 Cl N2 Na O6 -","- C24 H56 Cl4 N8 Na4 O24 -","4","1","","Prakash, Prabhat; Ardhra, Shylendran; Fall, Birane; Zdilla, Michael J.; Wunder, Stephanie L.; Venkatnathan, Arun","Solvate sponge crystals of (DMF)3NaClO4: reversible pressure/temperature controlled juicing in a melt/press-castable sodium-ion conductor","Chemical Science","2021","12","15","5574","5581","10.1039/D0SC06455F","","","0.71073","MoKα","","0.0414","0.032","","","0.0816","0.0869","","","","","","1.059","","","","has coordinates","265934","2021-06-05","18:01:53",""
"1560727","31.1965","0.0006","18.5947","0.0003","28.7563","0.0006","90","","110.013","0.002","90","","15673.9","0.5","100","2","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C130 H93 Br4 Co F12 N27 Ni4 O12 S4 -","- C130 H93 Br4 Co F12 N27 Ni4 O12 S4 -","- C520 H372 Br16 Co4 F48 N108 Ni16 O48 S16 -","4","1","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71075","MoKα","","0.112","0.0744","","","0.1485","0.1673","","","","","","1.025","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560728","31.8614","0.0003","20.267","0.0002","26.4739","0.0003","90","","114.773","0.001","90","","15521.9","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C154 H126 Cl4 F18 N38 Ni5 O18 S6 -","- C138 H102 Cl4 F18 N30 Ni5 O18 S6 -","- C552 H408 Cl16 F72 N120 Ni20 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.1396","0.1274","","","0.368","0.3778","","","","","","3.07","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560729","32.5915","0.0013","19.6893","0.0007","26.8651","0.0012","90","","116.807","0.003","90","","15386.7","1.1","100","","100","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 -","- C126 H84 Cl4 F18 Mn N24 Ni4 O18 S6 -","- C504 H336 Cl16 F72 Mn4 N96 Ni16 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.2527","0.2397","","","0.5481","0.566","","","","","","5.029","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560730","31.3026","0.0003","20.566","0.0002","26.4213","0.0003","90","","112.812","0.001","90","","15678.8","0.3","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 -","- C147.5 H124 Br2 F24 Fe0.5 N24 Ni4 O29 S7.5 -","- C590 H496 Br8 F96 Fe2 N96 Ni16 O116 S30 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71073","MoKα","","0.082","0.0729","","","0.2032","0.2106","","","","","","1.068","","","","has coordinates,has disorder","265928","2021-06-05","17:59:51",""
"1560731","33.6581","0.0008","19.3004","0.0005","27.7984","0.0009","90","","119.638","0.002","90","","15695.6","0.8","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 -","- C126 H84 Br4 Cu F18 N24 Ni4 O18 S6 -","- C504 H336 Br16 Cu4 F72 N96 Ni16 O72 S24 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","","0.6889","","","0.1669","0.1602","","","0.4648","0.478","","","","","","2.397","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560732","31.7631","0.0004","20.376","0.0003","26.2656","0.0004","90","","114.263","0.0018","90","","15497.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C132 H88 F24 N26 Ni4 O24 S8 -","- C132 H90 F24 N26 Ni4 O24 S8 -","- C528 H360 F96 N104 Ni16 O96 S32 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","1.54184","CuKα","","0.1329","0.1227","","","0.3605","0.3786","","","","","","1.696","","","","has coordinates,has disorder","265928","2021-06-05","17:59:51",""
"1560733","31.6627","0.0005","20.3859","0.0002","26.5585","0.0004","90","","114.491","0.002","90","","15600.4","0.4","120","","120","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C151 H120 Cl4 F21 Fe N36 Ni4 O21 S7 -","- C131 H90 Cl4 F21 Fe N26 Ni4 O21 S7 -","- C524 H360 Cl16 F84 Fe4 N104 Ni16 O84 S28 -","4","0.5","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","0.71073","MoKα","","0.0749","0.0655","","","0.1774","0.1864","","","","","","1.042","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560734","20.4016","0.0003","29.7181","0.0006","26.8106","0.0006","90","","91.1568","0.0018","90","","16251.9","0.5","250","0.1","250","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C138 H105 Cl4 Co F18 N28 Ni4 O19 S6 -","- C138 H104 Cl4 Co F18 N28 Ni4 O19 S6 -","- C552 H416 Cl16 Co4 F72 N112 Ni16 O76 S24 -","4","1","","Scott, Aaron J.; Vallejo, Julia; Sarkar, Arup; Smythe, Lucy; Regincós Martí, E.; Nichol, Gary S.; Klooster, Wim T.; Coles, Simon J.; Murrie, Mark; Rajaraman, Gopalan; Piligkos, Stergios; Lusby, Paul J.; Brechin, Euan K.","Exploiting host‒guest chemistry to manipulate magnetic interactions in metallosupramolecular M4L6 tetrahedral cages","Chemical Science","2021","12","14","5134","5142","10.1039/D1SC00647A","","x-ray","1.54184","CuKα","","0.1392","0.1312","","","0.3722","0.3828","","","","","","1.712","","","","has coordinates","265928","2021-06-05","17:59:51",""
"1560748","6.966","0.0012","20.504","0.004","11.68","0.002","90","","98.372","0.007","90","","1650.5","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N4 O2 S -","- C12 H20 Cl2 N4 O2 S -","- C48 H80 Cl8 N16 O8 S4 -","4","1","","Takahashi, Masae; Kowada, Mitsuru; Matsui, Hiroshi; Kwon, Eunsang; Ikemoto, Yuka","Temperature-Dependent Low-Frequency Vibrations of Thiamine Crystal Containing Hydrated Ions.","The journal of physical chemistry. A","2021","125","9","1837","1844","10.1021/acs.jpca.0c09756","","","0.71075","MoKα","","0.0409","0.0355","","","0.0985","0.1024","","","","","","1.051","","","","has coordinates","263598","2021-04-04","10:02:32",""
"1560749","11.2686","0.0006","12.7447","0.0003","21.7296","0.0012","89.265","0.003","88.319","0.004","83.122","0.003","3096.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H65 Dy O P4 S4 -","- C68 H65 Dy O P4 S4 -","- C136 H130 Dy2 O2 P8 S8 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0764","0.055","","","0.1124","0.1212","","","","","","1.034","","","","has coordinates","263703","2021-04-05","14:27:31",""
"1560750","10.8536","0.0006","22.5853","0.001","21.0093","0.0011","90","","99.013","0.006","90","","5086.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H49 O P4 S4 Y -","- C54 H49 O P4 S4 Y -","- C216 H196 O4 P16 S16 Y4 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1213","0.0705","","","0.0968","0.1114","","","","","","1.032","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560751","13.521","0.0002","20.9074","0.0003","22.2017","0.0003","71.645","0.001","79.408","0.001","84.373","0.001","5849.94","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H120 Dy2 K2 O8 P8 S8 -","- C116 H120 Dy2 K2 O8 P8 S8 -","- C232 H240 Dy4 K4 O16 P16 S16 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","1.54184","CuKα","","0.1011","0.0857","","","0.2275","0.2482","","","","","","1.065","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560752","11.9072","0.0004","12.5346","0.0005","26.216","0.0011","81.43","0.003","83.556","0.003","84.318","0.003","3831.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H92 K N2 O8 P4 S4 Y -","- C76 H92 K N2 O8 P4 S4 Y -","- C152 H184 K2 N4 O16 P8 S8 Y2 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.111","0.0772","","","0.2023","0.2608","","","","","","1.026","","","","has coordinates,has disorder","263703","2021-04-05","14:27:32",""
"1560753","13.4728","0.0004","20.8633","0.0005","22.1735","0.0004","71.523","0.002","79.315","0.002","84.386","0.002","5803.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C116 H120 K2 O8 P8 S8 Y2 -","- C116 H120 K2 O8 P8 S8 Y2 -","- C232 H240 K4 O16 P16 S16 Y4 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1035","0.0682","","","0.1374","0.1486","","","","","","1.064","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560754","13.23949","0.00014","23.5137","0.0003","30.0645","0.0004","90","","97.5329","0.0011","90","","9278.6","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H116 Dy K N4 O7 P4 Si4 -","- C93 H116 Dy K N4 O7 P4 Si4 -","- C372 H464 Dy4 K4 N16 O28 P16 Si16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","1.54184","CuKα","","0.0523","0.0484","","","0.1279","0.1329","","","","","","1.035","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560755","14.1523","0.0004","30.8391","0.0009","15.6028","0.0005","90","","110.56","0.004","90","","6376","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Dy Na O6 P4 S4 -","- C62 H70 Dy Na O6 P4 S4 -","- C248 H280 Dy4 Na4 O24 P16 S16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0742","0.0459","","","0.0637","0.0709","","","","","","1.024","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560756","14.1998","0.0004","30.9404","0.0006","15.6211","0.0005","90","","110.508","0.003","90","","6428.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Gd Na O6 P4 S4 -","- C62 H70 Gd Na O6 P4 S4 -","- C248 H280 Gd4 Na4 O24 P16 S16 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1113","0.0589","","","0.1265","0.152","","","","","","1.023","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560757","15.0677","0.0003","15.8625","0.0004","17.3285","0.0003","97.435","0.002","91.979","0.002","116.19","0.002","3665.66","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H84 Dy K N2 O7 P4 S4 -","- C72 H84 Dy K N2 O7 P4 S4 -","- C144 H168 Dy2 K2 N4 O14 P8 S8 -","2","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.0418","0.0377","","","0.1013","0.103","","","","","","1.075","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560758","14.155","0.0004","30.9664","0.0006","15.632","0.0005","90","","110.731","0.003","90","","6408.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H70 Na O6 P4 S4 Y -","- C62 H70 Na O6 P4 S4 Y -","- C248 H280 Na4 O24 P16 S16 Y4 -","4","1","","Thomas-Hargreaves, Lewis R.; Giansiracusa, Marcus J.; Gregson, Matthew; Zanda, Emanuele; O'Donnell, Felix; Wooles, Ashley J.; Chilton, Nicholas F.; Liddle, Stephen T.","Correlating axial and equatorial ligand field effects to the single-molecule magnet performances of a family of dysprosium bis-methanediide complexes","Chemical Science","2021","12","11","3911","3920","10.1039/D1SC00238D","","x-ray","0.71073","MoKα","","0.1099","0.0588","","","0.0934","0.1104","","","","","","1.034","","","","has coordinates","263703","2021-04-05","14:27:32",""
"1560759","17.9432","0.0006","15.8649","0.0005","21.6563","0.0007","90","","114.273","0.001","90","","5619.8","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","AR89","","","- C26 H24 F6 N2 O6 Pd2 -","- C26 H24 F6 N2 O6 Pd2 -","- C208 H192 F48 N16 O48 Pd16 -","8","2","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0791","0.0519","","","0.1173","0.1337","","","","","","1.06","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560760","37.712","0.006","13.024","0.002","15.254","0.003","90","","90","","90","","7492","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","MA28","","","- C35 H30 F6 N2 O7 Pd2 -","- C35 H30 F6 N2 O7 Pd2 -","- C280 H240 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1065","0.0512","","","0.1106","0.1377","","","","","","1.099","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560761","19.2535","0.0007","8.0799","0.0004","21.9245","0.001","90","","93.765","0.002","90","","3403.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MA3","","","- C33 H26 F6 N2 O7 Pd2 -","- C33 H26 F6 N2 O7 Pd2 -","- C132 H104 F24 N8 O28 Pd8 -","4","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0609","0.0509","","","0.1253","0.1322","","","","","","1.124","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560762","32.598","0.004","12.5843","0.0011","22.685","0.003","90","","128.447","0.003","90","","7288.2","1.5","295","0.1","295","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MA7","","","- C34 H26 F6 N2 O8 Pd2 -","- C34 H26 F6 N2 O8 Pd2 -","- C272 H208 F48 N16 O64 Pd16 -","8","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1101","0.0677","","","0.1853","0.224","","","","","","1.047","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560763","37.337","0.011","13.419","0.004","15.197","0.005","90","","90","","90","","7614","4","299","0.1","299","0.1","","","","","","","","6","F d d 2","F 2 -2d","43","MA34","","","- C37 H34 F6 N2 O7 Pd2 -","- C37 H34 F6 N2 O7 Pd2 -","- C296 H272 F48 N16 O56 Pd16 -","8","0.5","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.1352","0.056","","","0.1243","0.1726","","","","","","1.025","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560764","20.9754","0.0008","13.1973","0.0006","15.3039","0.0011","90","","125.008","0.001","90","","3469.9","0.3","295","0.1","295","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MA15","","","- C17 H14 F3 N O4 Pd -","- C17 H14 F3 N O4 Pd -","- C136 H112 F24 N8 O32 Pd8 -","8","1","","Tóth, Balázs L.; Monory, Anna; Egyed, Orsolya; Domján, Attila; Bényei, Attila; Szathury, Bálint; Novák, Zoltán; Stirling, András","The ortho effect in directed C‒H activation","Chemical Science","2021","12","14","5152","5163","10.1039/D1SC00642H","","","0.71073","MoKα","","0.0978","0.0504","","","0.0826","0.0952","","","","","","1.041","","","","has coordinates","265927","2021-06-05","17:58:20",""
"1560765","13.9636","0.0012","12.6503","0.0011","17.3356","0.0013","90","","103.979","0.003","90","","2971.5","0.4","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 N2 -","- C42 H26 N2 -","- C168 H104 N8 -","4","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0696","0.0494","","","0.1254","0.1429","","","","","","0.986","","","","has coordinates","265931","2021-06-05","18:00:32",""
"1560766","18.9074","0.0008","9.4843","0.0005","18.9118","0.0009","90","","97.294","0.002","90","","3363.9","0.3","150","","150","","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H22 N2 O4 -","- C42 H22 N2 O4 -","- C168 H88 N8 O16 -","4","0.5","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0809","0.063","","","0.175","0.1921","","","","","","0.999","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1560767","14.6129","0.0006","14.6129","","29.4748","0.0015","90","","90","","90","","6294","0.4","150","","150","","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C44 H22 N2 -","- C44 H22 N2 -","- C352 H176 N16 -","8","1","","Dhbaibi, Kais; Abella, Laura; Meunier-Della-Gatta, Sylvia; Roisnel, Thierry; Vanthuyne, Nicolas; Jamoussi, Bassem; Pieters, Grégory; Racine, Benoît; Quesnel, Etienne; Autschbach, Jochen; Crassous, Jeanne; Favereau, Ludovic","Achieving high circularly polarized luminescence with push‒pull helicenic systems: from rationalized design to top-emission CP-OLED applications","Chemical Science","2021","12","15","5522","5533","10.1039/D0SC06895K","","x-ray","0.71073","MoKα","","0.0532","0.0433","","","0.1012","0.1067","","","","","","1.036","","","","has coordinates","265931","2021-06-05","18:00:33",""
"1560800","14.257","0.0016","11.4474","0.0013","17.156","0.0019","90","","108.496","0.002","90","","2655.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H28.5 Cl1.5 N8 O0.25 S2 Zn -","- C23 H28.5 Cl1.5 N8 O0.25 S2 Zn -","- C92 H114 Cl6 N32 O S8 Zn4 -","4","0.5","","Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R.","Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53.","Journal of medicinal chemistry","2021","64","4","2024","2045","10.1021/acs.jmedchem.0c01360","","","0.71073","MoKα","","0.0666","0.0494","","","0.1063","0.1129","","","","","","1.049","","","","has coordinates,has disorder","262423","2021-03-04","00:50:28",""
"1560801","10.3073","0.0006","29.5898","0.0018","9.8383","0.0006","90","","90.5116","0.0015","90","","3000.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N8 O S2 Zn -","- C32 H30 N8 O S2 Zn0.9688 -","- C128 H120 N32 O4 S8 Zn3.8752 -","4","1","","Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R.","Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53.","Journal of medicinal chemistry","2021","64","4","2024","2045","10.1021/acs.jmedchem.0c01360","","","0.71073","MoKα","","0.0765","0.0537","","","0.1153","0.1249","","","","","","1.002","","","","has coordinates","262424","2021-03-04","00:50:57",""
"1560802","8.381","0.0002","9.3907","0.0002","32.0572","0.0006","90","","90","","90","","2523.01","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O10 -","- C30 H28 O10 -","- C120 H112 O40 -","4","1","","Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen","Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors.","Journal of natural products","2021","84","2","436","443","10.1021/acs.jnatprod.0c01136","","x-ray","1.54184","CuKα","","0.0323","0.0313","","","0.0839","0.0848","","","","","","1.043","","","","has coordinates","262425","2021-03-04","00:57:18",""
"1560803","13.1752","0.00013","17.53391","0.00017","23.9821","0.0002","90","","90","","90","","5540.17","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O12 -","- C30 H30 O12 -","- C240 H240 O96 -","8","2","","Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen","Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors.","Journal of natural products","2021","84","2","436","443","10.1021/acs.jnatprod.0c01136","","x-ray","1.54184","CuKα","","0.0581","0.0562","","","0.1618","0.1644","","","","","","1.035","","","","has coordinates","262426","2021-03-04","00:57:59",""
"1560804","7.9582","0.0002","23.6809","0.0004","10.0261","0.0002","90","","90","","90","","1889.49","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","x-ray","1.54184","CuKα","","0.0366","0.035","","","0.0874","0.0881","","","","","","1.105","","","","has coordinates","262427","2021-03-04","00:59:32",""
"1560805","11.1415","0.0006","8.1158","0.0004","20.8793","0.0012","90","","95.962","0.005","90","","1877.74","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","x-ray","1.54184","CuKα","","0.0661","0.0493","","","0.127","0.1386","","","","","","0.972","","","","has coordinates","262428","2021-03-04","00:59:53",""
"1560806","6.6873","0.0002","15.0723","0.0004","24.1896","0.0006","90","","90","","90","","2438.14","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","x-ray","1.54184","CuKα","","0.0757","0.0689","","","0.2136","0.2259","","","","","","1.048","","","","has coordinates","262429","2021-03-04","01:00:14",""
"1560807","7.5625","0.0004","11.8123","0.0005","21.2504","0.0011","90","","94.252","0.005","90","","1893.08","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","2","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","","1.54184","CuKα","","0.1291","0.1251","","","0.3358","0.3386","","","","","","1.079","","","","has coordinates,has disorder","262430","2021-03-04","01:00:34",""
"1560808","4.5196","0.0002","37.0928","0.0018","7.9294","0.0004","90","","96.848","0.002","90","","1319.84","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N4 O4 -","- C32 H28 N4 O4 -","- C64 H56 N8 O8 -","2","0.5","","Goodlett, Dustin W.; Sindt, Ammon J.; Hossain, Muhammad Saddam; Merugu, Rajkumar; Smith, Mark D.; Garashchuk, Sophya; Gudmundsdottir, Anna D.; Shimizu, Linda S.","From Incident Light to Persistent and Regenerable Radicals of Urea-Assembled Benzophenone Frameworks: A Structural Investigation.","The journal of physical chemistry. A","2021","125","6","1336","1344","10.1021/acs.jpca.0c08953","","x-ray","0.71073","MoKα","","0.0829","0.056","","","0.0983","0.1075","","","","","","1.135","","","","has coordinates","262431","2021-03-04","01:28:19",""
"1560809","21.1662","0.0002","7.2822","0.0001","23.8529","0.0002","90","","95.675","0.001","90","","3658.58","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl N5 O16 -","- C35 H36 Cl N5 O16 -","- C140 H144 Cl4 N20 O64 -","4","1","","Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah","Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug.","Molecular pharmaceutics","2021","18","3","1138","1149","10.1021/acs.molpharmaceut.0c01045","","","1.54184","CuKα","","0.0432","0.0358","","","0.0865","0.0894","","","","","","1.039","","","","has coordinates","262433","2021-03-04","02:36:48",""
"1560810","10.2717","0.0003","14.008","0.0004","19.5347","0.0005","73.184","0.002","75.634","0.002","89.646","0.002","2599.91","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cl N5 O7 -","- C27 H26 Cl N5 O7 -","- C108 H104 Cl4 N20 O28 -","4","2","","Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah","Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug.","Molecular pharmaceutics","2021","18","3","1138","1149","10.1021/acs.molpharmaceut.0c01045","","","1.54184","CuKα","","0.0347","0.0311","","","0.0787","0.0816","","","","","","1.034","","","","has coordinates","262434","2021-03-04","02:37:54",""
"1560811","10.9239","0.0013","13.7852","0.0015","14.6224","0.0016","116.386","0.01","91.271","0.008","108.043","0.006","1842.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 N4 O4 S -","- C39 H48 Cl2 N4 O4 S -","- C78 H96 Cl4 N8 O8 S2 -","2","1","","Gui, Yue; McCann, Erin C.; Yao, Xin; Li, Yuhui; Jones, Karen J.; Yu, Lian","Amorphous Drug-Polymer Salt with High Stability under Tropical Conditions and Fast Dissolution: The Case of Clofazimine and Poly(acrylic acid).","Molecular pharmaceutics","2021","18","3","1364","1372","10.1021/acs.molpharmaceut.0c01180","","x-ray","1.54178","CuKα","K-L~3~","0.0815","0.053","","","0.1208","0.1347","","","","","","1.032","","","","has coordinates,has disorder","262435","2021-03-04","02:38:19",""
"1560812","19.262","0.0007","12.5345","0.0005","21.0985","0.0008","90","","110.846","0.002","90","","4760.6","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H160 B2 O8 -","- C100 H160 B2 O8 -","- C200 H320 B4 O16 -","2","0.5","","Congrave, Daniel G.; Drummond, Bluebell H.; Gray, Victor; Bond, Andrew D.; Rao, Akshay; Friend, Richard H.; Bronstein, Hugo","Suppressing aggregation induced quenching in anthracene based conjugated polymers","Polymer Chemistry","2021","12","12","1830","1836","10.1039/D1PY00118C","","","1.54178","CuKα","","0.1521","0.0983","","","0.262","0.3029","","","","","","1.033","","","","has coordinates","263861","2021-04-05","15:22:46",""
"1560813","9.8352","0.0005","9.3209","0.0004","11.4836","0.0006","90","","108.743","0.003","90","","996.91","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 N2 O -","- C10 H18 N2 O -","- C40 H72 N8 O4 -","4","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","1.54178","CuKα","","0.0591","0.041","","","0.093","0.1017","","","","","","1.054","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560814","8.3482","0.0005","6.0629","0.0003","13.2849","0.0009","90","","106.642","0.002","90","","644.24","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H20 Cl2 N2 O -","- C10 H20 Cl2 N2 O -","- C20 H40 Cl4 N4 O2 -","2","1","","Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank","Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings","Chemical Science","2021","12","15","5611","5615","10.1039/D0SC07099H","","","0.71073","MoKα","","0.0644","0.0577","","","0.1439","0.1517","","","","","","1.077","","","","has coordinates","265930","2021-06-05","18:00:19",""
"1560815","10.8109","0.0001","10.3081","0.0001","25.2697","0.0003","90","","98.2242","0.0003","90","","2787.09","0.05","0","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H36 Br N O2 -","- C33 H36 Br N O2 -","- C132 H144 Br4 N4 O8 -","4","1","","MARFO-OWUSU, Emmanuel; THOMPSON, Amber L.","The Crystal Structure of a Benzyltriethylammonium Bromide Complex with <i>rac</i>-1,1′-Binaphthalene-2,2′-diol: The Inclusion of an Arylammonium Salt by an Assembly of Binaphthol Groups","X-ray Structure Analysis Online","2021","37","0","7","8","10.2116/xraystruct.37.7","","","0.71073","MoKα","","0.0326","0.0283","","0.0656","0.0634","0.0656","","","","","","0.984","","","","has coordinates","262731","2021-03-05","02:30:30",""
"1560816","14.89","0.002","20.903","0.003","14.7765","0.0019","90","","90","","90","","4599.1","1.1","90","2","90","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C41 H56 Br2 Mn2 N8 O12 -","- C41 H56 Br2 Mn2 N8 O12 -","- C164 H224 Br8 Mn8 N32 O48 -","4","0.5","","MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro","Crystal Structure of μ-Oxido-μ-phenolato-bridged Dinuclear Manganese(III) Complex of Schiff-base Ligand with Bromido Coordination","X-ray Structure Analysis Online","2021","37","0","9","11","10.2116/xraystruct.37.9","","","0.71073","MoKα","","0.1054","0.0539","","","0.1065","0.126","","","","","","1.012","","","","has coordinates","262732","2021-03-05","02:30:55",""
"1560837","10.852","0.002","25.406","0.005","12.801","0.002","90","","109.74","0.03","90","","3321.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 Co3 N8 O16 S6 -","- C62 H56 Co3 N8 O16 S6 -","- C124 H112 Co6 N16 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.","Molecules (Basel, Switzerland)","2021","26","5","1269","","10.3390/molecules26051269","","","0.79313","synchrotron","","0.0575","0.0506","","","0.1375","0.1429","","","","","","1.052","","","","has coordinates,has disorder","262759","2021-03-05","13:37:07",""
"1560838","11.96","0.02","25.867","0.008","11.461","0.016","90","","106.49","0.03","90","","3400","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 Co3 N6 O20 S6 -","- C42 H40 Co3 N4 O16 S6 -","- C84 H80 Co6 N8 O32 S12 -","2","0.5","","Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.","Molecules (Basel, Switzerland)","2021","26","5","1269","","10.3390/molecules26051269","","","0.79313","synchrotron","","0.117","0.0762","","","0.2142","0.2365","","","","","","1.044","","","","has coordinates,has disorder","262760","2021-03-05","13:37:51",""
"1560839","11.746","0.002","42.15","0.004","51.849","0.002","90","","90","","90","","25670","5","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C52 H61 Co3 N8 O19.5 S6 -","- C40 H30 Co3 N4 O14 S6 -","- C640 H480 Co48 N64 O224 S96 -","16","0.5","","Dubskikh, Vadim A.; Lysova, Anna A.; Samsonenko, Denis G.; Lavrov, Alexander N.; Kovalenko, Konstantin A.; Dybtsev, Danil N.; Fedin, Vladimir P.","3D Metal-Organic Frameworks Based on Co(II) and Bithiophendicarboxylate: Synthesis, Crystal Structures, Gas Adsorption, and Magnetic Properties.","Molecules (Basel, Switzerland)","2021","26","5","1269","","10.3390/molecules26051269","","","0.79313","synchrotron","","0.0442","0.0361","","","0.0961","0.0997","","","","","","1.073","","","","has coordinates","262761","2021-03-05","13:38:28",""
"1560840","16.7002","0.0012","8.989","0.0007","17.8237","0.0014","90","","96.9476","0.0018","90","","2656","0.4","297","","297.41","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","C37H25NO","","- C37 H25 N O -","- C37 H25 N O -","- C148 H100 N4 O4 -","4","1","","Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei","Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement","The Journal of Physical Chemistry C","2021","125","11","6249","6259","10.1021/acs.jpcc.0c09702","","x-ray","0.71073","MoKα","","0.0908","0.0578","","","0.1281","0.146","","","","","","1.0314","","","","has coordinates","263599","2021-04-04","10:03:01",""
"1560841","10.445","0.003","11.048","0.003","15.689","0.005","97.771","0.007","96.286","0.008","94.504","0.008","1775","0.9","298.07","","298.07","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H34 N2 O -","- C49 H34 N2 O -","- C98 H68 N4 O2 -","2","1","","Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei","Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement","The Journal of Physical Chemistry C","2021","125","11","6249","6259","10.1021/acs.jpcc.0c09702","","","0.71073","MoKα","","0.1437","0.0963","","","0.1939","0.2079","","","","","","1.163","","","","has coordinates","263599","2021-04-04","10:03:01",""
"1560842","13.1341","0.0002","5.5371","0.0001","15.0402","0.0003","90","","113.768","0.002","90","","1001.03","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 O7 S -","- C18 H24 O7 S -","- C36 H48 O14 S2 -","2","1","","Kammer, Lisa Marie; Badir, Shorouk O.; Hu, Ren-Ming; Molander, Gary A.","Photoactive Electron Donor-Acceptor Complex Platform for Ni-Mediated C(sp3)‒C(sp2) Bond Formation","Chemical Science","2021","","","","","10.1039/D1SC00943E","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0702","0.0704","","","","","","1.049","","","","has coordinates","262779","2021-03-06","02:10:09",""
"1560843","11","0.002","12.1","0.002","13.5","0.003","96","0.03","93","0.03","109","0.03","1682.5","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 Cl Ge N P Si -","- C37 H39 Cl Ge N P Si -","- C74 H78 Cl2 Ge2 N2 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0395","0.0318","","","0.0805","0.0855","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560844","11.33","0.002","13.51","0.003","13.61","0.003","79.1","0.03","86.7","0.03","69.6","0.03","1917.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H45 Br Ge N P Si -","- C43 H45 Br Ge N P Si -","- C86 H90 Br2 Ge2 N2 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0848","0.0513","","","0.1293","0.1598","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560845","35.733","0.007","9.74","0.0019","17.97","0.004","90","","107.22","0.03","90","","5974","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H44 N P Si -","- C31 H44 N P Si -","- C248 H352 N8 P8 Si8 -","8","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.076","0.0489","","","0.1283","0.1441","","","","","","1.032","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560846","40.613","0.008","9.87","0.002","23.16","0.005","90","","101.59","0.03","90","","9094","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 -","- C74 H78 Br6 Ge2 N2 Ni2 P2 Si2 -","- C296 H312 Br24 Ge8 N8 Ni8 P8 Si8 -","4","0.5","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0785","0.047","","","0.127","0.1402","","","","","","0.97","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560847","11.28","0.002","13.73","0.003","15.61","0.003","84.3","0.03","83.7","0.03","72.9","0.03","2291","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H63 K N2 O2 P Si -","- C48 H63 K N2 O2 P Si -","- C96 H126 K2 N4 O4 P2 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0886","0.0641","","","0.1764","0.1979","","","","","","1.009","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560848","15.55","0.003","19.91","0.004","21.82","0.004","90","","95.6","0.03","90","","6723","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl Ge N P Si -","- C34 H46 Cl Ge N P Si -","- C272 H368 Cl8 Ge8 N8 P8 Si8 -","8","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.1437","0.057","","","0.0974","0.1237","","","","","","1.01","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560849","12.18","0.002","13.55","0.003","20.86","0.004","75.1","0.03","88.3","0.03","70.4","0.03","3128.1","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H71 Ge N2 Ni P3 Si -","- C73 H71 Ge N2 Ni P3 Si -","- C146 H142 Ge2 N4 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0582","0.0364","","","0.0831","0.0912","","","","","","1.016","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560850","11.11","0.002","17.26","0.004","18.29","0.004","65.1","0.03","88.4","0.03","85.3","0.03","3170.5","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H43 Br Ge N P Si -","- C31 H43 Br Ge N P Si -","- C124 H172 Br4 Ge4 N4 P4 Si4 -","4","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0804","0.0609","","","0.1787","0.1968","","","","","","1.057","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560851","12.68","0.003","15.53","0.003","19.47","0.004","98.6","0.03","92","0.03","91.3","0.03","3787.1","1.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H69 Br Ge N Ni P3 Si -","- C73 H69 Br Ge N Ni P3 Si -","- C146 H138 Br2 Ge2 N2 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0757","0.0531","","","0.1551","0.1658","","","","","","1.078","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560852","17.37","0.004","19.77","0.004","19.41","0.004","90","","102.7","0.03","90","","6502","3","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C71 H83 Cl Ge N Ni O P3 Si -","- C71 H83 Cl Ge N Ni O P3 Si -","- C284 H332 Cl4 Ge4 N4 Ni4 O4 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0628","0.038","","","0.0932","0.1021","","","","","","1.035","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560853","17.43","0.004","19.84","0.004","19.41","0.004","90","","103.4","0.03","90","","6529","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H84 Ge N Ni O2 P3 Si -","- C71 H84 Ge N Ni O2 P3 Si -","- C284 H336 Ge4 N4 Ni4 O8 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.08","0.0454","","","0.1034","0.1189","","","","","","1.013","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560854","20.25","0.004","11.15","0.002","18.55","0.004","90","","94.5","0.03","90","","4175.4","1.4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Br2 Cl Ge N3 Ni P Si -","- C41 H44 Br2 Cl Ge N3 Ni P Si -","- C164 H176 Br8 Cl4 Ge4 N12 Ni4 P4 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0517","0.0352","","","0.0814","0.0907","","","","","","1.048","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560855","12.16","0.002","13.52","0.003","20.8","0.004","75.4","0.03","89","0.03","70.9","0.03","3119.1","1.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C73 H69 Br0.19 Cl0.81 Ge N Ni P3 Si -","- C73 H69 Br0.191 Cl0.809 Ge N Ni P3 Si -","- C146 H138 Br0.382 Cl1.618 Ge2 N2 Ni2 P6 Si2 -","2","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0516","0.0336","","","0.0771","0.0834","","","","","","1.011","","","","has coordinates,has disorder","265933","2021-06-05","18:01:42",""
"1560856","17.68","0.004","19.18","0.004","20.65","0.004","90","","108.8","0.03","90","","6629","3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77 H80 Ge N Ni O2 P3 Si -","- C77 H80 Ge N Ni O2 P3 Si -","- C308 H320 Ge4 N4 Ni4 O8 P12 Si4 -","4","1","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0935","0.0426","","","0.0892","0.1056","","","","","","0.939","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560857","11.25","0.002","17.78","0.004","20.52","0.004","88.3","0.03","75.7","0.03","73.3","0.03","3805.8","1.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H49 Cl Ge N O P Si -","- C41 H49 Cl Ge N O P Si -","- C164 H196 Cl4 Ge4 N4 O4 P4 Si4 -","4","2","","Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J.","Reversible metathesis of ammonia in an acyclic germylene‒Ni0 complex","Chemical Science","2021","12","15","5582","5590","10.1039/D1SC00450F","","","0.71073","MoKα","","0.0923","0.0504","","","0.1136","0.1315","","","","","","1.007","","","","has coordinates","265933","2021-06-05","18:01:42",""
"1560858","33.2828","0.0003","33.2828","0.0003","33.2828","0.0003","90","","90","","90","","36868.8","0.6","100","0.4","100","4","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Co","","- C30 H17 Co3 N4 O14 -","- C30 H14 Co3 N4 O14 -","- C720 H336 Co72 N96 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.54184","CuKα","","0.0983","0.0759","","","0.2216","0.2401","","","","","","1.055","","","","has coordinates","265914","2021-06-05","17:54:09",""
"1560859","32.9754","0.0001","32.9754","0.0001","32.9754","0.0001","90","","90","","90","","35856.7","0.19","104.5","0.7","104.5","0.7","","","","","","","","5","I m -3 m","-I 4 2 3","229","","ST-sod-Ni","","- C30 H17 N4 Ni3 O14 -","- C25.152 H12.768 N2.808 Ni3 O14 -","- C603.648 H306.432 N67.392 Ni72 O336 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","x-ray","1.3405","GaKα","","0.0656","0.0629","","","0.1774","0.1802","","","","","","1.038","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10",""
"1560860","33.2244","0.0002","33.2244","0.0002","33.2244","0.0002","90","","90","","90","","36675.1","0.4","105","2","105","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","ST-sod-Co/Ti","","- C30 H17 Co2 N4 O14 Ti -","- C30 H12.328 Co2 N4 O14 Ti -","- C720 H295.872 Co48 N96 O336 Ti24 -","24","0.25","","Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian","A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.","Chemical science","2021","12","16","5767","5773","10.1039/d0sc06841a","","","1.3405","GaKα","","0.059","0.0536","","","0.1623","0.1679","","","","","","1.058","","","","has coordinates,has disorder","265914","2021-06-05","17:54:10",""
"1560861","6.4256","0.0006","7.7129","0.0008","11.9856","0.0011","98.709","0.008","101.8","0.008","104.3","0.008","550.52","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 -","- C26 H32 N2 Ni O2 -","- C26 H32 N2 Ni O2 -","1","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0592","0.0496","","","0.1056","0.1094","","","","","","1.151","","","","has coordinates","262797","2021-03-06","06:34:40",""
"1560862","6.4641","0.0004","7.7224","0.0005","11.9925","0.0007","97.647","0.005","101.861","0.005","105.261","0.005","553.99","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","- C26 H32 Cu N2 O2 -","1","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0252","0.0251","","","0.0692","0.0693","","","","","","1.103","","","","has coordinates","262797","2021-03-06","06:34:41",""
"1560863","6.0847","0.0003","10.5704","0.0007","20.8597","0.0011","90","","97.882","0.004","90","","1328.97","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N2 Ni O2 -","- C34 H36 N2 Ni O2 -","- C68 H72 N4 Ni2 O4 -","2","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0527","0.0372","","","0.0806","0.0879","","","","","","1.106","","","","has coordinates","262797","2021-03-06","06:34:41",""
"1560864","11.0325","0.001","5.6889","0.0003","21.554","0.002","90","","99.41","0.007","90","","1334.59","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cu N2 O2 -","- C34 H36 Cu N2 O2 -","- C68 H72 Cu2 N4 O4 -","2","0.5","","Shiryaev, Alexey A.; Burkhanova, Tatyana M.; Mitoraj, Mariusz P.; Kukulka, Mercedes; Sagan, Filip; Mahmoudi, Ghodrat; Babashkina, Maria G.; Bolte, Michael; Safin, Damir A.","Supramolecular structures of NiII and CuII with the sterically demanding Schiff base dyes driven by cooperative action of preagostic and other non-covalent interactions","IUCrJ","2021","8","3","","","10.1107/S2052252521000610","","","0.71073","MoKα","","0.0455","0.0373","","","0.0812","0.0842","","","","","","1.137","","","","has coordinates","262797","2021-03-06","06:34:41",""
"1560944","10.8272","0.0004","9.0795","0.0003","19.3623","0.0007","90","","103.029","0.001","90","","1854.42","0.11","173","2","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O6 -","- C40 H53 N O6 -","- C80 H106 N2 O12 -","2","1","","Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi","Structural Revision of Guttiferone F and 30-epi-Cambogin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01031","","","1.54178","CuKα","","0.0398","0.035","","","0.091","0.0943","","","","","","1.099","","","","has coordinates","262891","2021-03-09","00:15:15",""
"1560945","14.5894","0.0003","11.1597","0.0003","20.4193","0.0005","90","","93.628","0.001","90","","3317.87","0.14","173","","173.01","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H50 O6 -","- C38 H50 O6 -","- C152 H200 O24 -","4","2","","Zheng, Dan; Jiang, Jia-Ming; Chen, Si-Min; Wan, Shi-Jie; Ren, Han-Gui; Chen, Gan; Xu, Gang; Zhou, Hua; Zhang, Hong; Xu, Hong-Xi","Structural Revision of Guttiferone F and 30-epi-Cambogin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01031","","","1.54178","CuKα","","0.0314","0.0295","","","0.0783","0.0826","","","","","","1.075","","","","has coordinates","262892","2021-03-09","00:15:46",""
"1560946","11.3224","0.0005","17.2445","0.0008","17.924","0.0008","90","","90","","90","","3499.6","0.3","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 O10 -","- C35 H40 O10 -","- C140 H160 O40 -","4","1","","Mu, Hongyan; Tang, Shuai; Zuo, Quan; Huang, Min; Zhao, Weimin","Dihydro-β-agarofuran-Type Sesquiterpenoids from the Seeds of <i>Celastrus virens</i> and Their Multidrug Resistance Reversal Activity against the KB/VCR Cell Line.","Journal of natural products","2021","84","3","588","600","10.1021/acs.jnatprod.0c01182","","","1.54178","CuKα","","0.0558","0.0471","","","0.1228","0.1314","","","","","","1.038","","","","has coordinates","263597","2021-04-04","10:02:08",""
"1560947","9.6194","0.0005","15.911","0.0009","16.492","0.0009","90","","90","","90","","2524.2","0.2","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Br O6 -","- C28 H25 Br O6 -","- C112 H100 Br4 O24 -","4","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","0.71073","MoKα","","0.0454","0.0318","","","0.0651","0.0741","","","","","","1.076","","","","has coordinates","262899","2021-03-09","02:13:24",""
"1560948","10.8034","0.0009","13.3417","0.0009","21.6804","0.0017","90","","91.981","0.003","90","","3123.1","0.4","142","2","142","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H70 F9 N4 O15 S3 Sm -","- C45 H70 F9 N4 O15 S3 Sm -","- C90 H140 F18 N8 O30 S6 Sm2 -","2","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","0.71073","MoKα","","0.046","0.0414","","","0.0949","0.0975","","","","","","1.056","","","","has coordinates,has disorder","262899","2021-03-09","02:13:25",""
"1560949","34.7546","0.0009","34.7546","0.0009","9.9252","0.0004","90","","90","","120","","10382.3","0.6","148","2","148","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C504 H468 O108 -","18","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","1.54178","CuKα","","0.044","0.0365","","","0.0794","0.0832","","","","","","1.058","","","","has coordinates","262899","2021-03-09","02:13:25",""
"1560950","11.2756","0.0003","18.6968","0.0005","36.0442","0.0009","90","","91.416","0.002","90","","7596.4","0.3","151","2","151","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H152 F18 N8 O30 S6 Sm2 -","- C96 H152 F18 N8 O30 S6 Sm2 -","- C192 H304 F36 N16 O60 S12 Sm4 -","2","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","1.54178","CuKα","","0.0604","0.0579","","","0.1513","0.1531","","","","","","1.045","","","","has coordinates,has disorder","262899","2021-03-09","02:13:25",""
"1560951","13.6883","0.0009","20.9229","0.0013","21.4877","0.0013","90","","103.98","0.002","90","","5971.8","0.7","148","2","148","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C88 H136 F18 N8 O30 S6 Sm2 -","- C88 H136 F18 N8 O30 S6 Sm2 -","- C176 H272 F36 N16 O60 S12 Sm4 -","2","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","0.71073","MoKα","","0.0228","0.0197","","","0.049","0.0495","","","","","","1.043","","","","has coordinates,has disorder","262899","2021-03-09","02:13:25",""
"1560984","31.9058","0.0006","17.2344","0.0003","20.9913","0.0004","90","","102.315","0.001","90","","11277","0.4","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C119 H109.1 N12 O23 -","- C119 H109.1 N12 O23 -","- C476 H436.4 N48 O92 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.34143","GaKα","","0.0984","0.0879","","","0.2449","0.2617","","","","","","1.083","","","","has coordinates,has disorder","265926","2021-06-05","17:57:57",""
"1560985","31.8864","0.0019","17.2148","0.001","20.9689","0.0012","90","","102.403","0.003","90","","11241.6","1.1","130","","130","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C115.5 H108.1 N17 O23.2 -","- C115.5 H108.1 N17 O23.2 -","- C462 H432.4 N68 O92.8 -","4","1","","Huang, Hsin-Hua; Song, Kyung Seob; Prescimone, Alessandro; Aster, Alexander; Cohen, Gabriel; Mannancherry, Rajesh; Vauthey, Eric; Coskun, Ali; Šolomek, Tomáš","Porous shape-persistent rylene imine cages with tunable optoelectronic properties and delayed fluorescence","Chemical Science","2021","12","14","5275","5285","10.1039/D1SC00347J","","x-ray","1.54178","CuKα","","0.0746","0.0713","","","0.2088","0.2145","","","","","","1.053","","","","has coordinates,has disorder","265926","2021-06-05","17:57:58",""
"1560986","12.3834","0.0011","10.9459","0.0009","12.0235","0.0009","90","","90.342","0.003","90","","1629.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 N O3 -","- C15 H29 N O3 -","- C60 H116 N4 O12 -","4","1","","Simlandy, Amit K.; Sardini, Stephen; Brown, M. Kevin","Construction of Congested Csp3-Csp3 Bonds by a Formal Ni-Catalyzed Alkylboration","Chemical Science","2021","","","","","10.1039/D1SC00900A","","","0.71073","MoKα","","0.0739","0.0512","","","0.1214","0.1394","","","","","","1.048","","","","has coordinates","262951","2021-03-10","01:57:03",""
"1560987","19.052","0.007","7.75","0.003","8.289","0.003","90","","93.016","0.018","90","","1222.2","0.8","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl4 N10 O4 Pb -","- C12 H24 Cl4 N10 O4 Pb -","- C24 H48 Cl8 N20 O8 Pb2 -","2","0.5","","Lédée, Ferdinand; Audebert, Pierre; Trippé-Allard, Gaëlle; Galmiche, Laurent; Garrot, Damien; Marrot, Jérôme; Lauret, Jean-Sébastien; Deleporte, Emmanuelle; Katan, Claudine; Even, Jacky; Quarti, Claudio","Tetrazine molecules as an efficient electronic diversion channel in 2D organic‒inorganic perovskites","Materials Horizons","2021","8","5","1547","1560","10.1039/D0MH01904F","","","0.71073","MoKα","","0.0681","0.056","","","0.14","0.1468","","","","","","1.159","","","","has coordinates,has disorder","266183","2021-06-05","19:33:50",""
"1561001","9.1686","0.0005","11.5792","0.0006","25.431","0.002","90","","90","","90","","2699.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N6 O9 -","- C28 H24 N6 O9 -","- C112 H96 N24 O36 -","4","1","","Saha, Monochura; Bandyopadhyay, Subhajit","Stimuli Responsive Stable Radical Anion for Conductance Switching","The Journal of Physical Chemistry C","2021","125","11","6427","6432","10.1021/acs.jpcc.1c00230","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1251","0.1299","","","","","","1.106","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1561002","12.6947","0.0004","15.5293","0.0005","18.1049","0.0006","90","","109.99","0.004","90","","3354.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48.1 H105.26 N4 O24.52 V6 -","- C48.104 H105.26 N4 O24.526 V6 -","- C96.208 H210.52 N8 O49.052 V12 -","2","0.5","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0757","0.0597","","","0.1691","0.1827","","","","","","1.044","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561003","13.8593","0.0001","17.3129","0.0001","17.6954","0.0001","90","","100.618","0.001","90","","4173.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 N3 O23 V6 -","- C25 H51 N3 O23 V6 -","- C100 H204 N12 O92 V24 -","4","1","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0668","0.0645","","","0.1586","0.16","","","","","","1.136","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561004","13.0905","0.0004","16.6569","0.0005","18.2558","0.0005","90","","92.394","0.003","90","","3977.2","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H57 O19 P V6 -","- C27 H57 O19 P V6 -","- C108 H228 O76 P4 V24 -","4","0.5","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0554","0.0472","","","0.1379","0.1444","","","","","","1.072","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561005","18.13612","0.00016","16.90558","0.00016","19.59064","0.00019","90","","100.831","0.0009","90","","5899.52","0.1","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H99 N3 O19 V6 -","- C46 H99 N3 O19 V6 -","- C184 H396 N12 O76 V24 -","4","1","","Fertig, Alex A.; Rabbani, S. M. Gulam; Koch, Melissa D.; Brennessel, William W.; Miró, Pere; Matson, Ellen M.","Physicochemical implications of surface alkylation of high-valent, Lindqvist-type polyoxovanadate-alkoxide clusters.","Nanoscale","2021","13","12","6162","6173","10.1039/d0nr09201k","","x-ray","1.54184","CuKα","","0.0636","0.0544","","","0.1471","0.1542","","","","","","1.063","","","","has coordinates,has disorder","263801","2021-04-05","15:06:39",""
"1561006","19.6026","0.0009","9.2014","0.0009","11.0368","0.0003","90","","99.434","0.003","90","","1963.8","0.2","293","2","293","2","","","500000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.0598","0.0549","","","0.16","0.1657","","","","","","1.118","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561007","18.974","0.003","11.0427","0.0015","10.9677","0.0006","90","","100.796","0.009","90","","2257.3","0.5","293","2","293","2","","","300000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.059","0.0522","","","0.1394","0.149","","","","","","1.063","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561008","19.6011","0.0009","9.2018","0.0009","11.036","0.0004","90","","99.435","0.003","90","","1963.6","0.2","293","2","293","2","","","680000","","","","","5","C 1 2/c 1","-C 2yc","15","CUK-1(Co)","CUK-1(Co) MOF","","- C14 H8 Co3 N2 O10 -","- C14 H8 Co3 N2 O10 -","- C56 H32 Co12 N8 O40 -","4","0.5","","Iacomi, Paul; Lee, Ji Sun; Vanduyfhuys, Louis; Cho, Kyung Ho; Fertey, Pierre; Wieme, Jelle; Granier, Dominique; Maurin, Guillaume; Van Speybroeck, Veronique; Chang, Jong-San; Yot, Pascal G.","Crystals springing into action: metal‒organic framework CUK-1 as a pressure-driven molecular spring","Chemical Science","2021","12","15","5682","5687","10.1039/D1SC00205H","","x-ray","0.5137","synchrotron","","0.0677","0.061","","","0.1971","0.2079","","","","","","1.204","","","","has coordinates","265932","2021-06-05","18:00:52",""
"1561009","7.4765","0.0001","14.1513","0.0003","15.0795","0.0004","115.507","0.003","99.363","0.002","99.595","0.002","1369.63","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C6 N3 O27 P6 Zn3 -","- C6 N3 O27 P6 Zn3 -","- C12 N6 O54 P12 Zn6 -","2","1","","Ma, Nattapol; Kosasang, Soracha; Yoshida, Atsushi; Horike, Satoshi","Proton-conductive coordination polymer glass for solid-state anhydrous proton batteries","Chemical Science","2021","12","16","5818","5824","10.1039/D1SC00392E","","x-ray","0.71073","MoKα","","0.0329","0.0311","","","0.0843","0.0851","","","","","","1.135","","","","has coordinates","265912","2021-06-05","17:52:48",""
"1561024","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 I2 N2 O7 Zn2 -","- C33 H48 I2 N2 O7 Zn2 -","- C66 H96 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0448","0.0421","","","0.1101","0.1134","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:35",""
"1561025","13.906","0.0002","14.3422","0.0002","37.8508","0.0005","90","","90","","90","","7549.06","0.18","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H48 Ca I2 N2 O7 Zn -","- C33 H48 Ca I2 N2 O7 Zn -","- C264 H384 Ca8 I16 N16 O56 Zn8 -","8","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0417","0.0353","","","0.089","0.0939","","","","","","1.057","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561026","12.3544","0.0001","10.9625","0.0001","19.5187","0.0001","90","","90.048","0.001","90","","2643.52","0.03","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Br Li Mg N2 O5 -","- C25 H32 Br Li Mg N2 O5 -","- C100 H128 Br4 Li4 Mg4 N8 O20 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0265","0.0253","","","0.0678","0.0689","","","","","","1.055","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561027","26.6385","0.0005","12.1506","0.0002","18.5863","0.0003","90","","90","","90","","6015.9","0.18","150","2","150.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H72 Mg3 N6 O12 -","- C63 H72 Mg3 N6 O12 -","- C252 H288 Mg12 N24 O48 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0521","0.0456","","","0.1154","0.1227","","","","","","1.011","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561028","11.2287","0.0004","11.2287","0.0004","32.691","0.002","90","","90","","90","","4121.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C42 H48 Li4 N4 O8 -","- C42 H48 Li4 N4 O8 -","- C168 H192 Li16 N16 O32 -","4","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0624","0.049","","","0.1181","0.1255","","","","","","1.063","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561029","12.2484","0.0003","11.1331","0.0003","19.8508","0.0005","90","","91.174","0.002","90","","2706.34","0.12","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 I Li N2 O5 Zn -","- C25 H32 I Li N2 O5 Zn -","- C100 H128 I4 Li4 N8 O20 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0258","0.0224","","","0.0534","0.0552","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561030","10.7086","0.0001","20.5174","0.0002","8.9876","0.0001","90","","98.462","0.001","90","","1953.19","0.03","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O8 Zn2 -","- C42 H48 N4 O8 Zn2 -","- C84 H96 N8 O16 Zn4 -","2","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0322","0.0305","","","0.082","0.0839","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561031","10.7707","0.0003","17.2439","0.0007","19.6341","0.0006","90","","90.981","0.003","90","","3646.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cd I2 Mg N4 O4 -","- C25 H30 Cd I2 Mg N4 O4 -","- C100 H120 Cd4 I8 Mg4 N16 O16 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","0.71073","MoKα","","0.1102","0.0824","","","0.2613","0.2868","","","","","","1.041","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561032","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46 I2 N2 O7 Zn2 -","- C33 H46 I2 N2 O7 Zn2 -","- C66 H92 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0448","0.0421","","","0.1103","0.1136","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561033","10.1985","0.0002","10.9552","0.0003","15.6105","0.0003","86.416","0.002","87.592","0.002","73.094","0.002","1664.95","0.07","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 Cd I2 N2 O6 Zn -","- C29 H40 Cd I2 N2 O6 Zn -","- C58 H80 Cd2 I4 N4 O12 Zn2 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0825","0.0817","","","0.1787","0.1803","","","","","","1.215","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561034","21.0024","0.0005","10.5844","0.0002","15.9024","0.0003","90","","91.002","0.002","90","","3534.53","0.13","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 I N2 Na O7 Zn -","- C33 H48 I N2 Na O7 Zn -","- C132 H192 I4 N8 Na4 O28 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0477","0.0376","","","0.0949","0.1021","","","","","","1.037","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561035","10.7118","0.0002","20.0019","0.0002","18.6537","0.0003","90","","91.671","0.001","90","","3994.97","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Br2 Mg2 N2 O8 -","- C37 H56 Br2 Mg2 N2 O8 -","- C148 H224 Br8 Mg8 N8 O32 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0672","0.0521","","","0.1427","0.1531","","","","","","1.084","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561043","17.8161","0.0011","17.9108","0.001","19.3137","0.001","82.81","0.002","78.691","0.002","86.591","0.002","5992","0.6","206","2","206","","","","","","","","","7","P -1","-P 1","2","","","","- C122 H74 B F24 N3 O2 Pd -","- C122 H74 B F24 N3 O2 Pd -","- C244 H148 B2 F48 N6 O4 Pd2 -","2","1","","Zhang, Yuxing; Jian, Zhongbao","Polar Additive Triggered Branching Switch and Block Polyolefin Topology in Living Ethylene Polymerization","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00174","","","0.71073","MoKα","","0.0858","0.0677","","","0.1861","0.2038","","","","","","1.019","","","","has coordinates,has disorder","263067","2021-03-17","00:38:05",""
"1561044","9.7957","0.0005","14.9403","0.0008","30.1708","0.0015","90","","90","","90","","4415.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound-31","(3aR,3'aR,9bR,9'bR)-3-((R)-tert-butylsulfinyl)- 3'-(tert-butylsulfinyl)-8,8'-difluoro-9b,9'b-bis(phenylsulfonyl) -2,2',3,3a,3',3'a,4,4',5,5',9b,9'b-dodecahydro-1H,1'H-7,7'-bibenzo[e]indole","","- C44 H50 F2 N2 O6 S4 -","- C44 H50 F2 N2 O6 S4 -","- C176 H200 F8 N8 O24 S16 -","4","1","","Karmakar, Ananta; Nimje, Roshan Y.; Silamkoti, Arundutt; Pitchai, Manivel; Basha, Mushkin; Singarayer, Christuraj; Ramasamy, Duraisamy; Babu, G. T. Venkatesh; Samikannu, Ramesh; Subramaniam, Srinath; Anjanappa, Prakash; Vetrichelvan, Muthalagu; Kumar, Hemantha; Dikundwar, Amol G.; Gupta, Anuradha; Gupta, Arun Kumar; Rampulla, Richard; Dhar, T. G. Murali; Mathur, Arvind","Practical Synthesis of (3aR, 9bR)-8-Fluoro-7-(perfluoropropan-2-yl)-9b-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole: An Advanced Intermediate to Access the RORγt Inverse Agonist BMT-362265","Organic Process Research & Development","2021","","","","","10.1021/acs.oprd.1c00019","","x-ray","0.71073","MoKα","","0.0852","0.046","","","0.0946","0.1062","","","","","","0.999","","","","has coordinates","263068","2021-03-17","00:48:39",""
"1561045","7.7539","0.0003","10.3038","0.0005","13.462","0.0006","107.202","0.002","98.294","0.002","96.619","0.002","1002.39","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0618","0.0425","","","0.0965","0.105","","","","","","1.032","","","","has coordinates","263070","2021-03-17","02:02:59",""
"1561046","9.5752","0.0005","12.0481","0.0007","17.8268","0.001","90","","101.373","0.002","90","","2016.17","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0481","0.0357","","","0.0812","0.0879","","","","","","1.023","","","","has coordinates","263070","2021-03-17","02:03:00",""
"1561047","12.3351","0.0007","13.1435","0.0007","13.7758","0.0007","93.491","0.002","101.268","0.002","116.875","0.002","1925.16","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H45 Cl N4 O6 -","- C44.5 H45 Cl N4 O6 -","- C89 H90 Cl2 N8 O12 -","2","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0856","0.0559","","","0.1025","0.1125","","","","","","1.09","","","","has coordinates","263070","2021-03-17","02:03:00",""
"1561048","8.5899","0.0004","18.3551","0.0008","10.2741","0.0005","90","","102.416","0.002","90","","1582.02","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.073","0.0477","","","0.1095","0.1192","","","","","","1.044","","","","has coordinates","263070","2021-03-17","02:03:00",""
"1561049","8.5841","0.0006","10.1481","0.0007","10.2458","0.0008","112.745","0.002","103.325","0.002","99.118","0.002","769.88","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0654","0.0453","","","0.1035","0.1129","","","","","","1.031","","","","has coordinates","263070","2021-03-17","02:03:00",""
"1561050","9.8948","0.0006","10.3781","0.0006","20.5618","0.0013","90","","90","","90","","2111.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O2 -","- C25 H21 Br N2 O2 -","- C100 H84 Br4 N8 O8 -","4","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0468","0.0338","","","0.0616","0.0646","","","","","","1.056","","","","has coordinates","263070","2021-03-17","02:03:01",""
"1561051","20.9936","0.0014","10.3069","0.0007","17.309","0.0011","90","","99.457","0.002","90","","3694.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22.3 N2 O3.15 -","- C22 H22.3 N2 O3.15 -","- C176 H178.4 N16 O25.2 -","8","2","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0758","0.0464","","","0.0956","0.1049","","","","","","1.053","","","","has coordinates","263070","2021-03-17","02:03:01",""
"1561085","16.902","0.0007","9.4331","0.0005","15.2863","0.0007","90","","113.371","0.003","90","","2237.26","0.19","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C27 H29 B O -","- C27 H29 B O -","- C108 H116 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0653","0.0551","","","0.1371","0.1435","","","","","","1.105","","","","has coordinates","264892","2021-05-05","08:24:45",""
"1561086","9.3999","0.0004","11.8608","0.0007","20.7807","0.0009","90","","90","","90","","2316.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0718","0.0662","","","0.1517","0.1551","","","","","","1.249","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561087","7.9871","0.0013","4.6704","0.0005","16.324","0.003","90","","101.395","0.012","90","","596.93","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 B2 O2 -","- C16 H10 B2 O2 -","- C32 H20 B4 O4 -","2","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1371","0.1063","","","0.1676","0.1783","","","","","","1.342","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561088","33.3265","0.0016","6.9745","0.0002","23.9282","0.0012","90","","125.567","0.003","90","","4524.1","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 O3 -","- C51 H58 B2 O3 -","- C204 H232 B8 O12 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0793","0.0654","","","0.166","0.1751","","","","","","1.048","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561089","19.5614","0.0014","19.5614","0.0014","6.7125","0.0005","90","","90","","90","","2568.5","0.3","173","2","173","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H32 B4 O6 -","- C28 H32 B4 O6 -","- C112 H128 B16 O24 -","4","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1878","0.1169","","","0.1815","0.214","","","","","","1.265","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561090","12.8766","0.0008","14.0599","0.0009","15.4098","0.001","96.874","0.005","102.28","0.005","90.643","0.005","2704.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C32.5 H34.5 B O -","- C32.5 H34.5 B O -","- C130 H138 B4 O4 -","4","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1208","0.0862","","","0.1754","0.1902","","","","","","1.149","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561091","35.674","0.002","10.716","0.0005","29.67","0.002","90","","98.307","0.005","90","","11223.3","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 B F3 O2 -","- C31 H30 B F3 O2 -","- C496 H480 B16 F48 O32 -","16","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1687","0.0693","","","0.1476","0.1857","","","","","","1.001","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561092","19.2423","0.0012","10.9228","0.0005","26.3907","0.0012","90","","90","","90","","5546.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Br F3 -","- C31 H28 Br F3 -","- C248 H224 Br8 F24 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0974","0.0605","","","0.1241","0.1388","","","","","","1.062","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561093","32.1592","0.0013","9.1287","0.0002","24.8768","0.001","90","","112.858","0.003","90","","6729.6","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H42 B F3 O2 -","- C37 H42 B F3 O2 -","- C296 H336 B8 F24 O16 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0647","0.0527","","","0.1239","0.1303","","","","","","1.105","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561094","14.4318","0.0018","9.4346","0.0018","19.482","0.002","90","","91.219","0.009","90","","2652","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B N -","- C32 H34 B N -","- C128 H136 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.2386","0.1032","","","0.1848","0.2519","","","","","","1.032","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561095","8.5512","0.0009","11.0326","0.001","12.6835","0.0012","67.901","0.007","89.033","0.008","67.825","0.007","1015.7","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 B2 O2 -","- C48 H52 B2 O2 -","- C48 H52 B2 O2 -","1","0.5","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0808","0.0592","","","0.1334","0.1425","","","","","","1.153","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561096","23.7421","0.0008","21.8444","0.0006","8.6139","0.0002","90","","90","","90","","4467.4","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H29 B O -","- C27 H29 B O -","- C216 H232 B8 O8 -","8","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0551","0.0451","","","0.1163","0.1255","","","","","","1.077","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561097","26.944","0.002","6.2564","0.0004","22.5176","0.0017","90","","113.082","0.006","90","","3492","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br -","- C22 H19 Br -","- C176 H152 Br8 -","8","2","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.1299","0.0627","","","0.1509","0.1923","","","","","","0.984","","","","has coordinates","264892","2021-05-05","08:24:46",""
"1561098","6.7963","0.0003","15.0543","0.0008","20.4812","0.0011","90","","97.297","0.001","90","","2078.53","0.18","298","2","298.39","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Am N2 O11 -","- C10 H17 Am N2 O11 -","- C40 H68 Am4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0367","0.0284","","","0.0719","0.0749","","","","","","1.09","","","","has coordinates","264893","2021-05-05","08:25:02",""
"1561099","6.7801","0.0003","15.0056","0.0007","20.489","0.001","90","","97.24","0.001","90","","2067.92","0.17","298","2","298.06","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cm N2 O11 -","- C10 H25 Cm N2 O11 -","- C40 H100 Cm4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0289","0.0252","","","0.0638","0.0652","","","","","","1.171","","","","has coordinates","264893","2021-05-05","08:25:05",""
"1561100","6.7137","0.0004","14.8928","0.0008","20.2772","0.0012","90","","97.157","0.003","90","","2011.6","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Eu N2 O11 -","- C10 H17 Eu N2 O11 -","- C40 H68 Eu4 N8 O44 -","4","1","","Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.","Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry","Chemical Science","2021","12","15","5638","5654","10.1039/D1SC00233C","","","0.71073","MoKα","","0.0716","0.0584","","","0.1198","0.1241","","","","","","1.181","","","","has coordinates","264893","2021-05-05","08:25:05",""
"1561101","9.0183","0.0015","10.8486","0.0018","22.331","0.003","90","","92.992","0.009","90","","2181.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 N4 O8 -","- C56 H46 N4 O8 -","- C112 H92 N8 O16 -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.066","0.0601","","","0.1536","0.1573","","","","","","1.132","","","","has coordinates,has disorder","265929","2021-06-05","18:00:11",""
"1561102","9.4036","0.0014","10.8957","0.0013","22.319","0.003","90","","90.524","0.013","90","","2286.7","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H45 N4 O8.5 Ti0.5 -","- C56 H45 N4 O8.5 Ti0.5 -","- C112 H90 N8 O17 Ti -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.1054","0.0672","","","0.1724","0.2071","","","","","","1.016","","","","has coordinates,has disorder","265929","2021-06-05","18:00:12",""
"1561103","9.3937","0.0006","10.8559","0.0006","22.317","0.002","90","","93.508","0.008","90","","2271.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 N4 O9 V -","- C56 H44 N4 O9 V -","- C112 H88 N8 O18 V2 -","2","0.5","","Gimeno, Ignacio; Urtizberea, Ainhoa; Román-Roche, Juan; Zueco, David; Camón, Agustín; Alonso, Pablo J.; Roubeau, Olivier; Luis, Fernando","Broad-band spectroscopy of a vanadyl porphyrin: a model electronuclear spin qudit","Chemical Science","2021","12","15","5621","5630","10.1039/D1SC00564B","","","0.71073","MoKα","","0.121","0.0895","","","0.2274","0.2496","","","","","","1.029","","","","has coordinates,has disorder","265929","2021-06-05","18:00:12",""
"1561104","8.1285","0.0002","22.6403","0.0006","14.3177","0.0003","90","","90.586","0.001","90","","2634.77","0.11","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","Guest_MNB_235_071020","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam","Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption","Polymer Chemistry","2021","12","15","2282","2292","10.1039/D1PY00193K","","","1.54178","CuKα","","0.0763","0.0694","","","0.1456","0.1479","","","","","","2.981","","","","has coordinates","264967","2021-05-05","09:08:03",""
"1561105","12.906","0.0012","17.5583","0.0014","22.216","0.002","92.437","0.005","94.87","0.006","90.603","0.005","5011.1","0.8","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C60 H50 -","- C60 H50 -","- C240 H200 -","4","2","","Baig, Noorullah; Shetty, Suchetha; Al-Mousawi, Saleh; Alameddine, Bassam","Conjugated microporous polymers using a copper-catalyzed [4 + 2] cyclobenzannulation reaction: promising materials for iodine and dye adsorption","Polymer Chemistry","2021","12","15","2282","2292","10.1039/D1PY00193K","","","1.54178","CuKα","","0.1418","0.0842","","","0.2213","0.2632","","","","","","1.029","","","","has coordinates","264967","2021-05-05","09:08:06",""
"1561127","5.4858","0.0004","5.4827","0.0004","7.81681","0.00015","90","","90.123","0.004","90","","235.11","0.02","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Pr W -","- Na Ni O6 Pr W -","- Na2 Ni2 O12 Pr2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.6316","6.8077","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561128","5.45987","0.0001","5.4814","0.0001","7.81308","0.00011","90","","90.164","0.002","90","","233.827","0.007","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Nd Ni O6 W -","- Na Nd Ni O6 W -","- Na2 Nd2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","4.7979","5.9408","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561129","5.37618","0.00008","5.48688","0.00009","7.78128","0.00012","90","","90.2441","0.0009","90","","229.534","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Gd Na Ni O6 W -","- Gd Na Ni O6 W -","- Gd2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.9224","5.3231","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561130","5.41399","0.00016","5.47939","0.00017","7.7985","0.0002","90","","90.2542","0.0018","90","","231.343","0.012","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Sm W -","- Na Ni O6 Sm W -","- Na2 Ni2 O12 Sm2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","8.0355","4.3695","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561131","5.35966","0.00004","5.48918","0.00005","7.77309","0.00006","90","","90.2581","0.0005","90","","228.683","0.003","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Na Ni O6 Tb W -","- Na Ni O6 Tb W -","- Na2 Ni2 O12 Tb2 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.8667","2.8112","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561132","5.39582","0.00007","5.48536","0.00008","7.79284","0.00011","90","","90.2646","0.0008","90","","230.65","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Eu Na Ni O6 W -","- Eu Na Ni O6 W -","- Eu2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.5479","3.2417","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561133","5.5156","0.0008","5.5153","0.0008","7.83952","0.00018","90","","90.137","0.004","90","","238.48","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- La Na Ni O6 W -","- La Na Ni O6 W -","- La2 Na2 Ni2 O12 W2 -","2","1","","P N, Ravi Shankar; Orlandi, Fabio; Manuel, Pascal; Zhang, Weiguo; Halaysyamani, P. Shiv; Sundaresan, A.","Structural, Magnetic, and Electrical Properties of Doubly Ordered Perovskites NaLnNiWO6 (Ln = La, Pr, Nd, Sm, Eu, Gd, and Tb)","The Journal of Physical Chemistry C","2021","125","12","6749","6757","10.1021/acs.jpcc.0c10340","powder diffraction","","1.5406","'CuKα'","","","","","","","","","5.4125","8.8474","","","","","","","has coordinates","263601","2021-04-04","10:03:22",""
"1561134","13.465","0.0001","9.554","0.0001","15.7286","0.0001","90","","93.8204","0.0009","90","","2018.9","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 I N2 O3 -","- C20 H21 I N2 O3 -","- C80 H84 I4 N8 O12 -","4","2","","su, guanglong; Thompson, Connor J.; Yamazaki, Ken; Rozsar, Daniel; Christensen, Kirsten; Hamlin, Trevor A.; Dixon, Darren","A Bifunctional Iminophosphorane Squaramide Catalyzed Enantioselective Synthesis of Hydroquinazolines via Intramolecular Aza-Michael Reaction to α,β-Unsaturated Esters","Chemical Science","2021","","","","","10.1039/D1SC00856K","","","1.54184","CuKα","","0.0752","0.0748","","0.1746","0.173","0.1746","","","","","","1.0586","","","","has coordinates","263151","2021-03-19","02:19:09",""
"1561172","9.341","0.0002","11.8743","0.0002","14.2","0.0002","103.803","0.001","92","0.002","108.233","0.002","1442.47","0.05","306.42","0.11","306.42","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C38 H25 N1.75 O2 S -","- C38 H25 N1.75 O2 S -","- C76 H50 N3.5 O4 S2 -","2","1","","Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar","Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity","Chemical Science","2021","","","","","10.1039/D1SC00765C","","x-ray","0.71073","MoKα","","0.1191","0.0855","","","0.279","0.3122","","","","","","1.115","","","","has coordinates","263189","2021-03-20","02:01:37",""
"1561173","13.577","0.0004","9.7186","0.0003","21.3735","0.0008","90","","102.957","0.001","90","","2748.41","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N O S -","- C36 H25 N O S -","- C144 H100 N4 O4 S4 -","4","1","","Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar","Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity","Chemical Science","2021","","","","","10.1039/D1SC00765C","","","0.71073","MoKα","","0.1166","0.0674","","","0.1822","0.2153","","","","","","1.037","","","","has coordinates","263189","2021-03-20","02:01:38",""
"1561174","9.0387","0.0007","12.2872","0.0011","15.4499","0.0013","70.572","0.004","83.642","0.003","86.486","0.004","1607.7","0.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H21 Cl4 N O2 S -","- C37 H21 Cl4 N O2 S -","- C74 H42 Cl8 N2 O4 S2 -","2","1","","Shankar, Majji; Saha, Arijit; Sau, Somratan; Ghosh, Arghadip; Gandon, Vincent; Sahoo, Akhila Kumar","Harnessing Sulfur and Nitrogen in the Cobalt (III)-Catalyzed Unsymmetrical Double Annulation of Thioamides: Probing the Origin of Chemo- and Regioselectivity","Chemical Science","2021","","","","","10.1039/D1SC00765C","","","0.71073","MoKα","","0.0956","0.0746","","","0.2151","0.233","","","","","","1.03","","","","has coordinates","263189","2021-03-20","02:01:38",""
"1561175","5.403","0.0002","5.4723","0.0002","7.6781","0.0004","90","","90","","90","","227.017","0.017","","","298","","","","100","","","","","7","P b n m","-P 2c 2ab","62","Ca0.94Ce0.04Na0.02Ti0.76Fe0.11Nb0.13O3","","Ca-perovskite","- Ca0.94 Ce0.04 Fe0.11 Na0.02 Nb0.13 O3 Ti0.76 -","- Ca0.94 Ce0.04 Fe0.11 Na0.02 Nb0.13 O3 Ti0.76 -","- Ca3.76 Ce0.16 Fe0.44 Na0.08 Nb0.52 O12 Ti3.04 -","4","0.5","","Kitahara, G.; Yoshiasa, A.; Tokuda, M.; Tobase, T.; Sugiyama, K.","XANES analyses on minor elements and X-ray single crystal structure analyses of Ce- and Nb-perovskite","Journal of Mineralogical and Petrological Sciences","2021","116","","45","55","10.2465/jmps.200424","","","","","","","","","","","","","","","","","","","","","has coordinates","263215","2021-03-22","06:32:36",""
"1561176","5.4158","0.0004","5.4838","0.0004","7.7039","0.0005","90","","90","","90","","228.8","0.03","","","298","","","","100","","","","","7","P b n m","-P 2c 2ab","62","Ca0.83Ce0.09Na0.08Ti0.96Fe0.02Nb0.02O3","","Ca-perovskite","- Ca0.83 Ce0.09 Fe0.02 Na0.08 Nb0.02 O3 Ti0.96 -","- Ca0.83 Ce0.09 Fe0.02 Na0.08 Nb0.02 O3 Ti0.96 -","- Ca3.32 Ce0.36 Fe0.08 Na0.32 Nb0.08 O12 Ti3.84 -","4","0.5","","Kitahara, G.; Yoshiasa, A.; Tokuda, M.; Tobase, T.; Sugiyama, K.","XANES analyses on minor elements and X-ray single crystal structure analyses of Ce- and Nb-perovskite","Journal of Mineralogical and Petrological Sciences","2021","116","","45","55","10.2465/jmps.200424","","","","","","","","","","","","","","","","","","","","","has coordinates","263216","2021-03-22","06:35:33",""
"1561177","11.7931","0.0005","14.429","0.0006","17.6548","0.0006","92.7304","0.0015","91.345","0.0016","111.889","0.0015","2781.69","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H84 Ge2 N4 Si3 -","- C53.5 H84 Ge2 N4 Si3 -","- C107 H168 Ge4 N8 Si6 -","2","1","","Müller, Thomas; Dong, Zhaowen; Schmidtmann, Marc; Winkler, Jan Mathis","Three-membered cyclic digermylenes stabilized by an N-heterocyclic carbene","Chemical Science","2021","","","","","10.1039/D1SC00956G","","","0.71073","MoKα","","0.0564","0.035","","","0.0793","0.087","","","","","","1.019","","","","has coordinates,has disorder","263223","2021-03-23","02:03:46",""
"1561178","14.5456","0.0015","14.7302","0.0018","15.0458","0.0018","70.717","0.003","84.15","0.003","76.059","0.003","2952.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H88 Ge2 N4 O2 Si3 -","- C52 H88 Ge2 N4 O2 Si3 -","- C104 H176 Ge4 N8 O4 Si6 -","2","1","","Müller, Thomas; Dong, Zhaowen; Schmidtmann, Marc; Winkler, Jan Mathis","Three-membered cyclic digermylenes stabilized by an N-heterocyclic carbene","Chemical Science","2021","","","","","10.1039/D1SC00956G","","","0.71073","MoKα","","0.1152","0.0665","","","0.1564","0.1782","","","","","","1.076","","","","has coordinates","263223","2021-03-23","02:03:53",""
"1561179","11.9129","0.0009","15.088","0.0011","22.7675","0.0018","76.4735","0.0019","84.561","0.002","80.734","0.002","3919.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H113.5 Ge2 N4 O1.75 Si6 -","- C73 H113.5 Ge2 N4 O1.75 Si6 -","- C146 H227 Ge4 N8 O3.5 Si12 -","2","1","","Müller, Thomas; Dong, Zhaowen; Schmidtmann, Marc; Winkler, Jan Mathis","Three-membered cyclic digermylenes stabilized by an N-heterocyclic carbene","Chemical Science","2021","","","","","10.1039/D1SC00956G","","","0.71073","MoKα","","0.1076","0.0544","","","0.1136","0.1329","","","","","","1.059","","","","has coordinates,has disorder","263223","2021-03-23","02:04:03",""
"1561180","18.8279","0.001","27.9082","0.0016","32.268","0.003","90","","106.815","0.003","90","","16230","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2SeTe-Ox","","","- C84 H108 O16 Se4 Te2 -","- C84 H108 O16 Se4 Te2 -","- C672 H864 O128 Se32 Te16 -","8","2","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.0978","0.0588","","","0.1427","0.1657","","","","","","1.036","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561181","9.902","0.003","14.643","0.004","16.12","0.005","106.116","0.009","104.058","0.011","96.56","0.009","2136.4","1.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","2SeTe-ox-Cl","2SeTe-ox-Cl","","- C42 H54 Cl2 O7 Se2 Te -","- C42 H54 Cl2 O7 Se2 Te -","- C84 H108 Cl4 O14 Se4 Te2 -","2","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.103","0.0792","","","0.2298","0.2564","","","","","","1.118","","","","has coordinates","265913","2021-06-05","17:53:37",""
"1561182","37.942","0.002","17.3698","0.0011","29.2185","0.0018","90","","105.56","0.002","90","","18550.6","1.9","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","IM-1","","","- C98 H124 Cl2 O17 Te2 -","- C98 H124 Cl2 O17 Te2 -","- C784 H992 Cl16 O136 Te16 -","8","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.1331","0.0876","","","0.2282","0.2711","","","","","","1.026","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561183","39.1328","0.0011","20.3253","0.0007","29.544","0.0008","90","","136.459","0.001","90","","16187.8","0.9","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Te-Ox","","","- C84 H116 O16 Te2 -","- C84 H116 O16 Te2 -","- C672 H928 O128 Te16 -","8","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.0719","0.0396","","","0.073","0.0883","","","","","","1.076","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561184","19.1567","0.001","35.2402","0.0017","49.703","0.002","97.646","0.002","90.535","0.002","92.72","0.002","33214","3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","2STe-Ox","","","- C84 H108 O16 S4 Te2 -","- C84 H108 O16 S4 Te2 -","- C1344 H1728 O256 S64 Te32 -","16","8","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","","0.71073","MoKα","","0.1274","0.0874","","","0.2278","0.2499","","","","","","1.017","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561185","9.8421","0.0004","14.6373","0.0006","16.1252","0.0006","107.209","0.003","103.814","0.003","97.239","0.003","2105.86","0.16","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","2STe-ox-Cl","2STe-ox-Cl","","- C42 H54 Cl2 O7 S2 Te -","- C42 H54 Cl2 O7 S2 Te -","- C84 H108 Cl4 O14 S4 Te2 -","2","1","","Wang, Shitao; Yan, Chaoxian; Zhao, Wenlong; Liu, Xiaolan; Yuan, Cheng-Shan; Zhang, Hao-Li; Shao, Xiangfeng","A tellura-Baeyer‒Villiger oxidation: one-step transformation of tellurophene into chiral tellurinate lactone","Chemical Science","2021","12","16","5811","5817","10.1039/D1SC00397F","","x-ray","1.54184","CuKα","","0.1242","0.1093","","","0.2875","0.3028","","","","","","1.046","","","","has coordinates,has disorder","265913","2021-06-05","17:53:37",""
"1561186","14.21","0.003","28.1537","0.0019","27.91","0.003","90","","104.632","0.008","90","","10804","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H162 K N O24 Si6 U2 -","- C72 H162 K N O24 Si6 U2 -","- C288 H648 K4 N4 O96 Si24 U8 -","4","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.1292","0.0686","","","0.133","0.1623","","","","","","1.111","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561187","13.9065","0.0004","18.2338","0.0007","22.181","0.0009","90","","92.45","0.004","90","","5619.3","0.4","139.99","0.1","139.99","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C73 H162 K2 N2 O24 S2 Si6 U2 -","- C146 H324 K4 N4 O48 S4 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1313","0.0772","","","0.1898","0.2164","","","","","","1.074","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561188","13.9377","0.0005","17.9175","0.0005","22.0849","0.0006","90","","92.306","0.003","90","","5510.8","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C73 H162 K2 N2 O26 Si6 U2 -","- C73 H162 K2 N2 O26 Si6 U2 -","- C146 H324 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0857","0.064","","","0.1592","0.1724","","","","","","1.017","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561189","14.4207","0.0004","17.5321","0.0005","21.9098","0.0006","90","","91.84","0.003","90","","5536.5","0.3","140.01","0.1","140.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H172 K2 N2 O24 Si6 U2 -","- C79 H172 K2 N2 O24 Si6 U2 -","- C158 H344 K4 N4 O48 Si12 U4 -","2","0.5","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","0.71073","MoKα","","0.0695","0.039","","","0.0824","0.0983","","","","","","1.06","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561190","14.382","0.002","17.661","0.003","21.819","0.004","90","","92.012","0.009","90","","5538.6","1.6","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 K2 N4 O24 Si6 U2 -","- C72 H162 K2 N4 O24 Si6 U2 -","- C144 H324 K4 N8 O48 Si12 U4 -","2","0.5","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.117","0.0592","","","0.1241","0.1665","","","","","","1.135","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561191","13.9927","0.0015","18.2874","0.0012","22.208","0.002","90","","93.321","0.007","90","","5673.3","0.9","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H170 K2 N2 O26 Si6 U2 -","- C81 H170 K2 N2 O26 Si6 U2 -","- C162 H340 K4 N4 O52 Si12 U4 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","","0.71073","MoKα","","0.0717","0.0511","","","0.1029","0.1128","","","","","","1.067","","","","has coordinates,has disorder","265908","2021-06-05","17:51:43",""
"1561223","16.2273","0.0012","15.8447","0.0009","18.9351","0.0014","90","","98.715","0.003","90","","4812.3","0.6","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Ca O4 Sn2 -","- C52 H62 Ca O4 Sn2 -","- C208 H248 Ca4 O16 Sn8 -","4","0.5","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0499","0.0336","","","0.0709","0.0785","","","","","","1.058","","","","has coordinates","265915","2021-06-05","17:54:38",""
"1561224","20.9784","0.0013","13.237","0.0008","20.0226","0.0016","90","","105.698","0.004","90","","5352.7","0.6","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H86 Ca O4 Si6 Sn2 -","- C34 H86 Ca O4 Si6 Sn2 -","- C136 H344 Ca4 O16 Si24 Sn8 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0741","0.0407","","","0.083","0.098","","","","","","1.005","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561225","16.3942","0.0019","15.957","0.0017","19.01","0.002","90","","99.049","0.005","90","","4911.2","0.9","150","","150","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 O4 Sn2 Sr -","- C52 H62 O4 Sn2 Sr -","- C208 H248 O16 Sn8 Sr4 -","4","0.5","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0443","0.0331","","","0.0744","0.0813","","","","","","1.035","","","","has coordinates","265915","2021-06-05","17:54:39",""
"1561226","19.499","0.004","17.117","0.003","34.898","0.007","90","","91.768","0.006","90","","11642","4","150","","150","","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H94 Ba O5 Si6 Sn2 -","- C38 H94 Ba O5 Si6 Sn2 -","- C304 H752 Ba8 O40 Si48 Sn16 -","8","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0643","0.0569","","","0.1231","0.1267","","","","","","1.128","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561227","40.215","0.005","13.1722","0.0017","20.52","0.003","90","","93.183","0.004","90","","10853","3","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H86 O4 Si6 Sn2 Sr -","- C34 H86 O4 Si6 Sn2 Sr -","- C272 H688 O32 Si48 Sn16 Sr8 -","8","2","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0901","0.0812","","","0.2469","0.2585","","","","","","1.017","","","","has coordinates","265915","2021-06-05","17:54:39",""
"1561228","17.2099","0.0009","35.155","0.002","18.6605","0.001","90","","90","","90","","11289.9","1.1","150","","150","","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","","","- C116 H148 Ba2 O11 Sn4 -","- C116 H148 Ba2 O11 Sn4 -","- C464 H592 Ba8 O44 Sn16 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Kahlal, Samia; Cordier, Marie; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Metal‒metal bonded alkaline-earth distannyls","Chemical Science","2021","12","20","7098","7114","10.1039/D1SC00436K","","x-ray","0.71073","MoKα","","0.0744","0.0606","","","0.1355","0.1447","","","","","","1.12","","","","has coordinates,has disorder","265915","2021-06-05","17:54:39",""
"1561229","7.845","0.003","10.433","0.002","15.69","0.007","73.92","0.03","89.21","0.03","70.37","0.02","1157.8","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Br2 N2 O2 S2 -","- C40 H34 Br2 N2 O2 S2 -","- C40 H34 Br2 N2 O2 S2 -","1","0.5","","Yang, Wei; Sun, Mingxiang; Wang, Yue; Yan, Hui; Zhang, Guobing; Zhang, Qing","Bis-isatin based polymers with tunable energy levels for organic field-effect transistor applications","Polymer Chemistry","2021","12","15","2317","2324","10.1039/D0PY01726D","","","1.54178","CuKα","","0.1137","0.0991","","","0.3312","0.3571","","","","","","1.434","","","","has coordinates,has disorder","264968","2021-05-05","09:08:15",""
"1561232","11.7505","0.0005","15.3185","0.0006","12.9694","0.0007","90","","109.03","0.005","90","","2206.91","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O7 Zn -","- C25 H18 N2 O7 Zn -","- C100 H72 N8 O28 Zn4 -","4","1","","Tian, Li; Xu, Xuebin; Liu, Meiying; Liu, Zixin; Liu, Zhiliang","Significantly Enhancing the Lithium Ionic Conductivity of Metal‒Organic Frameworks via a Postsynthetic Modification Strategy","Langmuir","2021","","","","","10.1021/acs.langmuir.1c00156","","","1.54178","CuKα","","0.0635","0.0462","","","0.1124","0.1253","","","","","","1.044","","","","has coordinates","263296","2021-03-25","00:47:57",""
"1561233","9.629","0.003","14.535","0.004","19.083","0.006","85.137","0.004","89.812","0.004","83.002","0.004","2641.3","1.4","173","","173","","","","","","","","","5","P -1","-P 1","2","BETz-2T(10)","","","- C36 H48 N2 O4 S4 -","- C36 H48 N2 O4 S4 -","- C108 H144 N6 O12 S12 -","3","1.5","","Teshima, Yoshikazu; Saito, Masahiko; Mikie, Tsubasa; Komeyama, Kimihiro; Osaka, Itaru","Bithiazole Dicarboxylate Ester: An Easily Accessible Electron-Deficient Building Unit for π-Conjugated Polymers Enabling Electron Transport","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00080","","","0.71073","MoKa","","0.0635","0.0439","","","0.1002","0.1099","","","","","","0.997","","","","has coordinates,has disorder","263297","2021-03-25","00:51:13",""
"1561273","20.9774","0.0011","10.1284","0.0005","14.5479","0.0007","90","","99.752","0.002","90","","3046.3","0.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cl7 In N4 O0 S4 -","- C16 H40 Cl7 In N4 S4 -","- C64 H160 Cl28 In4 N16 S16 -","4","0.5","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0146","0.0141","","","0.0338","0.0341","","","","","","1.053","","","","has coordinates","263602","2021-04-04","10:03:37",""
"1561274","11.7611","0.0006","12.5257","0.0006","15.0163","0.0008","90","","96.853","0.002","90","","2196.34","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H27 Cl5 In N2 O S2 -","- C12 H27 Cl5 In N2 O S2 -","- C48 H108 Cl20 In4 N8 O4 S8 -","4","1","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0206","0.019","","","0.0484","0.0495","","","","","","1.063","","","","has coordinates","263602","2021-04-04","10:03:37",""
"1561275","7.7233","0.0004","11.6526","0.0007","15.1865","0.0008","82.98","0.002","87.09","0.002","88.651","0.003","1354.53","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H36 Cl6 In N3 O S3 -","- C14 H36 Cl6 In N3 O S3 -","- C28 H72 Cl12 In2 N6 O2 S6 -","2","1","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0398","0.0361","","","0.0842","0.0864","","","","","","1.071","","","","has coordinates","263602","2021-04-04","10:03:37",""
"1561276","21.0254","0.0018","10.1582","0.0008","14.5931","0.0011","90","","99.846","0.003","90","","3070.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Cl7 In0.93 N4 S4 Sb0.07 -","- C16 H40 Cl7 In0.93 N4 S4 Sb0.07 -","- C64 H160 Cl28 In3.72 N16 S16 Sb0.28 -","4","0.5","","Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning","Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.","The journal of physical chemistry letters","2021","","","3288","3294","10.1021/acs.jpclett.1c00418","","","0.71073","MoKα","","0.0153","0.0147","","","0.0373","0.0377","","","","","","1.008","","","","has coordinates,has disorder","263602","2021-04-04","10:03:37",""
"1561277","8.8398","0.0004","22.2474","0.0013","7.025","0.0005","90","","105.163","0.006","90","","1333.46","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(isopropylthio)-4-(4-methoxyphenyl)pyridine","","- C15 H17 N O S -","- C15 H17 N O S -","- C60 H68 N4 O4 S4 -","4","1","","Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul","Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes","Chemical Science","2021","","","","","10.1039/D1SC01208H","","","0.71073","MoKα","","0.0685","0.0513","","","0.1161","0.1248","","","","","","1.061","","","","has coordinates","263337","2021-03-26","02:09:42",""
"1561278","8.587","0.0003","6.1553","0.0002","14.6215","0.0005","90","","99.114","0.003","90","","763.07","0.05","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-iodo-2-(isopropylthio)-4-(4-methoxyphenyl)pyridine","","- C15 H16 I N O S -","- C15 H16 I N O S -","- C30 H32 I2 N2 O2 S2 -","2","1","","Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul","Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes","Chemical Science","2021","","","","","10.1039/D1SC01208H","","","0.71073","MoKα","","0.0225","0.0206","","","0.043","0.0439","","","","","","1.029","","","","has coordinates","263337","2021-03-26","02:09:45",""
"1561279","30.9518","0.0006","6.9485","0.0002","15.9226","0.0003","90","","90","","90","","3424.45","0.14","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-ethoxy-4-(4-methoxyphenyl)-3-(trimethylsilyl)pyridine","","- C17 H23 N O2 Si -","- C17 H23 N O2 Si -","- C136 H184 N8 O16 Si8 -","8","2","","Heinz, Benjamin; Djukanovic, Dimitrije; Filipponi, Paolo; Martin, Benjamin; Karaghiosoff, Konstantin; Knochel, Paul","Regioselective Difunctionalization of Pyridines via 3,4-Pyridynes","Chemical Science","2021","","","","","10.1039/D1SC01208H","","","0.71073","MoKα","","0.0513","0.0406","","","0.0934","0.0995","","","","","","1.024","","","","has coordinates","263337","2021-03-26","02:09:54",""
"1561308","10.648","0.0012","6.3182","0.0007","20.729","0.002","90","","95.88","0.005","90","","1387.2","0.3","193","2","193","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O15 -","- C26 H36 O15 -","- C52 H72 O30 -","2","1","","Sun, Meng; Guo, Brian; Xu, Mingming; Zhao, Ming; Onakpa, Monday M.; Wu, Zhenlong; Burdette, Joanna E.; Che, Chun-Tao","(9βH)- and 17-Nor-Pimaranes from Icacina oliviformis","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.9b01131","","","1.34139","GaKα","","0.1033","0.0746","","","0.2174","0.2327","","","","","","1.106","","","","has coordinates,has disorder","263375","2021-03-27","00:08:38",""
"1561309","24.705","0.004","8.3362","0.0005","20.825","0.003","90","","131.76","0.03","90","","3199.2","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C144 H104 N24 O32 -","8","1","","Xu, Wei-Feng; Chao, Rong; Hai, Yang; Guo, Yang-Yang; Wei, Mei-Yan; Wang, Chang-Yun; Shao, Chang-Lun","17-Hydroxybrevianamide N and Its N1-Methyl Derivative, Quinazolinones from a Soft-Coral-Derived <i>Aspergillus</i> sp. Fungus: 13<i>S</i> Enantiomers as the True Natural Products.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00098","","","1.54184","CuKα","","0.1595","0.1284","","","0.373","0.4346","","","","","","1.711","","","","has coordinates","263376","2021-03-27","00:09:08",""
"1561310","8.3911","0.0006","8.8058","0.0007","13.4606","0.0008","95.446","0.006","105.411","0.006","114.671","0.007","846.93","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C38 H34 N6 O10 -","2","1","","Xu, Wei-Feng; Chao, Rong; Hai, Yang; Guo, Yang-Yang; Wei, Mei-Yan; Wang, Chang-Yun; Shao, Chang-Lun","17-Hydroxybrevianamide N and Its N1-Methyl Derivative, Quinazolinones from a Soft-Coral-Derived <i>Aspergillus</i> sp. Fungus: 13<i>S</i> Enantiomers as the True Natural Products.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00098","","","1.54184","CuKα","","0.0796","0.055","","","0.1408","0.1512","","","","","","1.22","","","","has coordinates","263377","2021-03-27","00:09:29",""
"1561311","4.7731","0.0008","11.3543","0.0017","14.65","0.002","67.712","0.005","85.665","0.005","88.114","0.006","732.53","0.19","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 Br F2 N O2 -","- C17 H12 Br F2 N O2 -","- C34 H24 Br2 F4 N2 O4 -","2","1","","Häfliger, Joel; Livingstone, Keith; Daniliuc, Constantin; Gilmour, Ryan","Difluorination of α-(Bromomethyl)styrenes via I(I)/I(III) Catalysis: Facile Access to Electrophilic Linchpins for Drug Discovery","Chemical Science","2021","","","","","10.1039/D1SC01132D","","x-ray","0.71073","MoKα","","0.0393","0.0333","","","0.0755","0.0779","","","","","","1.068","","","","has coordinates","263395","2021-03-28","01:49:58",""
"1561312","6.5212","0.0003","19.52","0.0008","27.5641","0.0012","90","","90","","90","","3508.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C168 H168 N8 O16 S8 -","8","2","","Duan, Shengzu; Deng, Guogang; Zi, Yujin; Wu, Xiaomei; Tian, Xun; Liu, Zhengfen; Li, Minyan; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick","Nickel-Catalyzed Enantioselective Vinylation of Aryl 2-Azaallyl Anions","Chemical Science","2021","","","","","10.1039/D1SC00972A","","","1.54178","CuKα","","0.0713","0.0497","","","0.1227","0.1379","","","","","","1.066","","","","has coordinates","263396","2021-03-28","01:50:22",""
"1561313","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","HB4379","Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G.","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","IUCrData","2021","6","3","x210309","","10.1107/S2414314621003096","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates,has Fobs","263398","2021-03-28","06:00:32",""
"1561346","9.4838","0.0004","10.8493","0.0005","22.4754","0.001","90","","94.262","0.004","90","","2306.16","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 F3 N2 -","- C29 H21 F3 N2 -","- C116 H84 F12 N8 -","4","1","","Hu, Weigao; Zhan, Qiangqiang; Zhou, Hongwei; Cao, Shanshan; Jiang, Zhiyong","Radical-based functionalization-oriented construction: rapid assembly of azaarene-substituted highly functionalized pyrroles","Chemical Science","2021","","","","","10.1039/D1SC01470F","","x-ray","1.54184","CuKα","","0.0892","0.0574","","","0.1373","0.1615","","","","","","1.015","","","","has coordinates,has disorder","263421","2021-03-30","00:57:45",""
"1561376","36.459","0.004","8.6753","0.0008","13.8617","0.001","90","","98.333","0.007","90","","4338.1","0.7","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","Compound 7","Compound 7","","- C23 H27 F2 N5 O2 -","- C23 H27 F2 N5 O2 -","- C184 H216 F16 N40 O16 -","8","2","","Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim","Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.","Journal of medicinal chemistry","2021","","","","","10.1021/acs.jmedchem.0c02085","","","1.54178","CuKα","","0.1733","0.1629","","","0.3854","0.3938","","","","","","1.091","","","","has coordinates","263457","2021-03-30","23:07:22",""
"1561377","9.8391","0.0005","11.1859","0.0006","11.8823","0.0007","72.632","0.003","89.776","0.004","64.843","0.003","1118.23","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound 6","Compound 6","","- C23 H28 F N5 O2 -","- C23 H28 F N5 O2 -","- C46 H56 F2 N10 O4 -","2","1","","Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim","Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.","Journal of medicinal chemistry","2021","","","","","10.1021/acs.jmedchem.0c02085","","","0.71073","MoKα","","0.1086","0.051","","","0.1125","0.1375","","","","","","1.031","","","","has coordinates","263458","2021-03-30","23:07:47",""
"1561396","6.8411","0.0002","15.3599","0.0004","17.0637","0.0005","90","","100.751","0.0011","90","","1761.56","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Cl N O3 S -","- C17 H20 Cl N O3 S -","- C68 H80 Cl4 N4 O12 S4 -","4","1","","Kim, Myojeong; You, Euna; Park, Seongjin; Hong, Sungwoo","Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One- versus Two-Electron Pathways","Chemical Science","2021","","","","","10.1039/D1SC00776A","","","0.71073","MoKα","","0.0418","0.0345","","","0.084","0.0885","","","","","","1.059","","","","has coordinates,has disorder","263504","2021-04-01","01:14:48",""
"1561397","15.1971","0.0018","15.1809","0.0016","7.5348","0.0009","90","","97.371","0.004","90","","1724","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N O2 S -","- C18.999 H14 F2.997 N O2 S -","- C75.996 H56 F11.988 N4 O8 S4 -","4","1","","Kim, Myojeong; You, Euna; Park, Seongjin; Hong, Sungwoo","Divergent Reactivity of Sulfinates with Pyridinium Salts Based on One- versus Two-Electron Pathways","Chemical Science","2021","","","","","10.1039/D1SC00776A","","","0.71073","MoKα","","0.1277","0.1108","","","0.1984","0.2055","","","","","","1.21","","","","has coordinates,has disorder","263504","2021-04-01","01:14:51",""
"1561398","37.196","0.004","4.8441","0.0004","5.584","0.0004","90","","90","","90","","1006.13","0.15","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","0.5","BT4110","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Baashen, Mohammed A.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(Naphthalen-2-yloxy)-<i>N</i>'-[2-(naphthalen-2-yloxy)acetyl]acetohydrazide monohydrate","IUCrData","2021","6","3","x210314","","10.1107/S241431462100314X","","","1.54184","CuKα","","0.0912","0.0624","","","0.1523","0.1715","","","","","","1.046","","","","has coordinates,has Fobs","263512","2021-04-01","05:32:34",""
"1561399","10.009","0.002","10.118","0.002","10.498","0.002","117.451","0.004","97.465","0.004","96.344","0.004","917.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquadodeca-μ~2~-iodido-hexatantalum diiodide tetrahydrate","","- H20 I14 O10 Ta6 -","- H20 I14 O10 Ta6 -","- H20 I14 O10 Ta6 -","1","0.5","WM4145","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-iodido-octahedro-hexatantalum diiodide tetrahydrate","IUCrData","2021","6","3","","","10.1107/S2414314621003047","","","0.71073","MoKα","","0.0328","0.0249","","","0.0487","0.0512","","","","","","1.071","","","","has coordinates,has Fobs","263513","2021-04-01","05:33:06",""
"1561440","12.3525","0.0002","12.3525","0.0002","79.6448","0.0018","90","","90","","120","","10524.4","0.3","143","","143.15","","","","","","","","","3","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C38 H48 O4 -","- C38 H48 O4 -","- C456 H576 O48 -","12","1","","Lu, Wei-Jia; Xu, Wen-Jun; Zhang, Mei-Hui; Zhang, Yan-Qiu; Li, Yi-Ran; Zhang, Hao; Luo, Jun; Kong, Ling-Yi","Diverse Polycyclic Polyprenylated Acylphloroglucinol Congeners with Anti-Nonalcoholic Steatohepatitis Activity from <i>Hypericum forrestii</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01202","","","1.54178","CuKα","","0.0799","0.0796","","","0.181","0.1812","","","","","","1.236","","","","has coordinates,has disorder","263535","2021-04-01","23:14:37",""
"1561441","19.603","0.004","17.296","0.004","12.944","0.002","90","","123.107","0.007","90","","3676.2","1.3","100","","100","","","","","","","","see text","4","C 1 2/m 1","-C 2y","12","","","","- C60 H90 Al6 Cu8 -","- C60 H90 Al6 Cu8 -","- C120 H180 Al12 Cu16 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0816","0.079","","","0.2315","0.2361","","","","","","1.097","","","","has coordinates,has disorder","265910","2021-06-05","17:52:24",""
"1561442","10.6817","0.0008","10.6837","0.0008","15.0961","0.0012","75.703","0.002","72.18","0.002","60.202","0.002","1413.85","0.19","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C30 H45 Al Cu2 -","- C30 H45 Al1.001 Cu2.002 -","- C60 H90 Al2.002 Cu4.004 -","2","1","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0405","0.0389","","","0.0872","0.0878","","","","","","1.269","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561443","12.9999","0.0009","17.2545","0.0013","16.5285","0.0017","90","","97.741","0.0016","90","","3673.7","0.5","100","","100","","","","","","","","see text","4","I 1 2/m 1","-I 2y","12","","","","- C60 H90 Al6 Cu7.33 -","- C60 H90 Al6 Cu7.328 -","- C120 H180 Al12 Cu14.656 -","2","0.25","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.0683","0.0572","","","0.1882","0.1974","","","","","","1.118","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561444","14.6563","0.0011","25.306","0.002","19.6043","0.0016","90","","92.589","0.003","90","","7263.7","1","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H86 Al4 Cu4 -","- C59 H86 Al4 Cu4 -","- C236 H344 Al16 Cu16 -","4","1","","Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.","Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.","Chemical science","2021","12","19","6588","6599","10.1039/d1sc00268f","","x-ray","0.71073","MoKα","","0.096","0.0718","","","0.1437","0.1499","","","","","","1.059","","","","has coordinates,has disorder","265910","2021-06-05","17:52:25",""
"1561445","11.9199","0.0008","6.4841","0.0004","24.7395","0.0015","90","","91.495","0.004","90","","1911.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 N6 -","- C48 H48 N6 -","- C96 H96 N12 -","2","0.5","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","1.54178","CuKα","","0.1686","0.1377","","","0.3883","0.411","","","","","","1.571","","","","has coordinates,has disorder","263538","2021-04-02","01:10:54",""
"1561446","6.429","0.0013","14.653","0.003","15.517","0.003","90","","94.96","0.03","90","","1456.3","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H24 N6 -","- C38 H24 N6 -","- C76 H48 N12 -","2","0.5","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","0.7","synchrotron","","0.2053","0.0659","","","0.1452","0.185","","","","","","0.791","","","","has coordinates","263538","2021-04-02","01:10:55",""
"1561447","6.326","0.0013","15.778","0.003","16.684","0.003","81.36","0.03","89.31","0.03","88.89","0.03","1646","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis(4,9-Dihydro-o-benzeno-2H-naphtho-[2,3-d][1,2,3]triazolo)benzene","","- C43 H36 N6 -","- C43 H36 N6 -","- C86 H72 N12 -","2","1","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","0.7","synchrotron","","0.1359","0.1136","","","0.2996","0.3197","","","","","","1.218","","","","has coordinates,has disorder","263538","2021-04-02","01:10:55",""
"1561448","11.6072","0.0002","11.69065","0.00019","15.3099","0.0002","100.114","0.0013","104.457","0.0015","112.643","0.0016","1768.75","0.06","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 Cl6 N6 -","- C40 H26 Cl6 N6 -","- C80 H52 Cl12 N12 -","2","1","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","1.54184","CuKα","","0.055","0.0523","","","0.1384","0.141","","","","","","1.096","","","","has coordinates","263538","2021-04-02","01:10:55",""
"1561449","9.244","0.0019","6.649","0.0013","24.353","0.005","90","","98.58","0.03","90","","1480.1","0.5","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-bis(4,9-Dihydro-o-benzeno-2H-naphtho-[2,3-d][1,2,3]triazolo)benzene","","- C38 H24 N6 -","- C38 H24 N6 -","- C76 H48 N12 -","2","0.5","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","0.65303","synchrotron","","0.148","0.0753","","","0.1795","0.2131","","","","","","0.931","","","","has coordinates","263538","2021-04-02","01:10:56",""
"1561450","6.326","0.0013","15.778","0.003","16.684","0.003","81.36","0.03","89.31","0.03","88.89","0.03","1646","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1,4-bis(4,9-Dihydro-o-benzeno-2H-naphtho-[2,3-d][1,2,3]triazolo)benzene","","- C38 H24 N6 -","- C38 H24 N6 -","- C76 H48 N12 -","2","1","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","0.7","synchrotron","","0.1222","0.1022","","","0.2881","0.3045","","","","","","1.151","","","","has coordinates","263538","2021-04-02","01:10:56",""
"1561451","11.9199","0.0008","6.4841","0.0004","24.7395","0.0015","90","","91.495","0.004","90","","1911.5","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-bis(4,9-Dihydro-o-benzeno-2H-naphtho-[2,3-d][1,2,3]triazolo)benzene","","- C38 H24 N6 -","- C38 H24 N6 -","- C76 H48 N12 -","2","0.5","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","1.54178","CuKα","","0.1163","0.089","","","0.2342","0.252","","","","","","1.07","","","","has coordinates","263538","2021-04-02","01:10:56",""
"1561452","11.7152","0.0003","12.5774","0.0003","17.5509","0.0006","99.811","0.002","93.572","0.002","101.07","0.002","2488.73","0.12","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C55.6 H34.6 Cl4.8 N9 -","- C55.6 H34.6 Cl4.8 N9 -","- C111.2 H69.2 Cl9.6 N18 -","2","1","","Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan","Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions","Chemical Science","2021","","","","","10.1039/D1SC01163D","","","1.54184","CuKα","","0.0868","0.0797","","","0.242","0.2517","","","","","","1.047","","","","has coordinates,has disorder","263538","2021-04-02","01:10:56",""
"1561472","14.761","","32.102","","32.24","","90","","101.88","","90","","14949.9","","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C223 H104 Dy3 N20 -","- C223 H104 Dy3.0004 N20 -","- C892 H416 Dy12.0016 N80 -","4","1","","Yang, Shangfeng; Jin, Fei; Xin, Jinpeng; Guan, Runnan; Xie, Xiao-Ming; Chen, Muqing; Zhang, Qianyan; Popov, Alexey A.; Xie, Su-Yuan","Stabilizing Three-Center Single-Electron Metal-Metal Bond in a Fullerene Cage","Chemical Science","2021","","","","","10.1039/D1SC00965F","","","0.71073","synchrotron","","0.1097","0.0907","","","0.2494","0.2709","","","","","","1.03","","","","has coordinates,has disorder","263557","2021-04-03","01:06:09",""
"1561473","24.986","0.002","41.24","0.004","25.1687","0.0019","90","","108.986","0.002","90","","24524","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C328 H616 N40 O216 P8 S0 V48 -","- C248 H388 N20 O192 P8 V48 -","- C496 H776 N40 O384 P16 V96 -","2","0.5","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.1038","0.0751","","","0.2301","0.2506","","","","","","1.1","","","","has coordinates","268619","2021-09-06","09:59:10",""
"1561474","24.986","0.0016","42.565","0.003","25.2167","0.0018","90","","109.572","0.002","90","","25269","3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C369 H665 N31 O227 P8 S0 V48 -","- C252 H324 N18 O192 P8 V48 -","- C504 H648 N36 O384 P16 V96 -","2","0.5","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.2255","0.1215","","","0.296","0.3816","","","","","","1.03","","","","has coordinates","268619","2021-09-06","09:59:11",""
"1561475","39.096","0.007","26.059","0.005","29.242","0.005","90","","113.642","0.004","90","","27291","9","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C309 H610 Cl N23 O245 P8 V56 -","- C232 H376 Cl N5 O228 P8 V56 -","- C464 H752 Cl2 N10 O456 P16 V112 -","2","0.25","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.2048","0.133","","","0.3307","0.3952","","","","","","1.081","","","","has coordinates","268619","2021-09-06","09:59:11",""
"1561476","27.776","0.003","32.56","0.003","36.61","0.003","90","","105.89","0.003","90","","31844","5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C156 H297 N11 O106 P4 S0 V24 -","- C124 H200 N4 O96 P4 V24 -","- C496 H800 N16 O384 P16 V96 -","4","1","","Guo, Ji; Chang, Qing; Liu, Zhiwei; Wang, Yangming; Liu, Chuanhong; Wang, Mou; Huang, Danmeng; Chen, Guanying; Zhao, Hongmei; Wang, Wei; Fang, Xikui","How to not build a cage: endohedral functionalization of polyoxometalate-based metal-organic polyhedra.","Chemical science","2021","12","21","7361","7368","10.1039/d1sc01243f","","","0.71073","MoKα","","0.0906","0.0721","","","0.2","0.2115","","","","","","1.048","","","","has coordinates,has disorder","268619","2021-09-06","09:59:11",""
"1561477","8.9788","0.0001","8.9788","0.0001","44.4258","0.0006","90","","90","","120","","3101.72","0.06","93.15","","93.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","[1,1,1,1,5,5,5,5-octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II)","","- C32 H60 N12 O16 Zn2 -","- C32 H60 N12 O16 Zn2 -","- C96 H180 N36 O48 Zn6 -","3","0.5","","ICHIMARU, Yoshimi; JIN, Wanchun; YAMAGUCHI, Yoshihiro; SUGIURA, Kirara; IMAI, Masanori; KUROSAKI, Hiromasa; FUJIOKA, Haruto; KOIKE, Tohru; HIEDA, Yuhzo; KATO, Koichi","Crystal Structure of [1<sup>1</sup>,1<sup>4</sup>,1<sup>7</sup>,1<sup>10</sup>,5<sup>1</sup>,5<sup>4</sup>,5<sup>7</sup>,5<sup>10</sup>-Octaaza-1,5(1,4)-dicyclododecana-3,7(1,3)-dibenzenacyclooctaphane]zinc(II) tetrakis(nitrate), [<i>m,m</i>-bis(Zn<sup>II</sup>-cyclen)](NO<sub>3</sub>)<sub>4</sub>","X-ray Structure Analysis Online","2021","37","0","15","16","10.2116/xraystruct.37.15","","x-ray","1.54184","CuKα","","0.0255","0.025","","","0.0621","0.0623","","","","","","1.158","","","","has coordinates","263863","2021-04-05","15:25:28",""
"1561478","10.4372","0.0004","27.8578","0.001","13.5496","0.0005","90","","102.812","0.001","90","","3841.6","0.2","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(C28H31N6O)Co2(CH3CO2)(MeO)(ClO4)2(MeOH)0.75(MeCN)0.25","","","- C32.25 H40.75 Cl2 Co2 N6.25 O12.75 -","- C32.25 H40.75 Cl2 Co2 N6.25 O12.75 -","- C129 H163 Cl8 Co8 N25 O51 -","4","1","","SHINDE, Naho; HANDA, Ryunosuke; FURUTACHI, Hideki; SAKATA, Yoko; AKINE, Shigehisa; FUJINAMI, Shuhei; SUZUKI, Masatatsu","Synthesis and Crystal Structure of (μ-Acetato)bis(μ-Alkoxo)dicobalt(II, III) Complex with an Unsymmetric Dinucleating Ligand","X-ray Structure Analysis Online","2021","37","0","13","14","10.2116/xraystruct.37.13","","","1.54178","CuKα","","0.0406","0.0398","","","0.103","0.1035","","","","","","1.039","","","","has coordinates,has disorder","263864","2021-04-05","15:25:52",""
"1561479","10.6741","0.0002","14.2858","0.0002","17.5012","0.0003","90","","99.597","0.002","90","","2631.37","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloropentaphenyldisiloxane","","- C30 H25 Cl O Si2 -","- C30 H25 Cl O Si2 -","- C120 H100 Cl4 O4 Si8 -","4","1","","Bauer, Jonathan O.; Götz, Tobias","Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane","Chemistry","2021","3","2","444","453","10.3390/chemistry3020033","","","1.39222","CuKβ","","0.0397","0.0347","","","0.0954","0.0994","","","","","","1.045","","","","has coordinates","263865","2021-04-05","19:20:28",""
"1561513","18.425","0.0007","8.8088","0.0004","17.927","0.0007","90","","113.42","0.001","90","","2669.89","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Cl N P2 Rh S2 -","- C23 H37 Cl N P2 Rh S2 -","- C92 H148 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0226","0.0192","","","0.0491","0.0505","","","","","","1.054","","","","has coordinates","265831","2021-06-05","17:10:30",""
"1561514","11.1268","0.0004","11.9807","0.0005","17.1003","0.0007","90","","92.141","0.001","90","","2278","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl P2 Rh S2 -","- C18 H32 Cl P2 Rh S2 -","- C72 H128 Cl4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0298","0.0245","","","0.0582","0.0619","","","","","","1.026","","","","has coordinates,has disorder","265831","2021-06-05","17:10:35",""
"1561515","9.2984","0.0002","15.248","0.0003","22.7278","0.0004","90","","100.479","0.001","90","","3168.65","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl N P2 Rh S2 -","- C35 H29 Cl N P2 Rh S2 -","- C140 H116 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0233","0.021","","","0.0522","0.0537","","","","","","1.075","","","","has coordinates","265831","2021-06-05","17:10:35",""
"1561516","13.3643","0.0014","21.517","0.002","20.834","0.002","90","","94.905","0.003","90","","5969.1","1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 N4 O4 Pt2 -","- C66 H78 N4 O4 Pt2 -","- C264 H312 N16 O16 Pt8 -","4","1","","Pander, Piotr; Daniels, Ruth; Zaytsev, Andrey V.; Horn, Ashleigh; Sil, Amit; Penfold, Thomas J.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Dias, Fernando B.","Exceptionally fast radiative decay of a dinuclear platinum complex through thermally activated delayed fluorescence.","Chemical science","2021","12","17","6172","6180","10.1039/d1sc00160d","","x-ray","0.71073","MoKα","","0.1811","0.0762","","","0.1231","0.1499","","","","","","1.007","","","","has coordinates","265909","2021-06-05","17:51:54",""
"1561547","14.7094","0.0007","16.9327","0.0006","18.7377","0.0009","65.966","0.003","67.528","0.004","88.951","0.003","3886.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H100 B Ge9 K N2 O Si8 -","- C52.5 H100 B Ge9 K N2 O Si8 -","- C105 H200 B2 Ge18 K2 N4 O2 Si16 -","2","1","","Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F","FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs","Chemical Science","2021","","","","","10.1039/D1SC00811K","","","0.71073","MoKα","","0.0836","0.0435","","","0.088","0.1113","","","","","","1.114","","","","has coordinates","263958","2021-04-08","01:09:33",""
"1561548","13.7573","0.0004","9.2613","0.0003","28.4239","0.001","90","0.003","94.438","0.003","90","0.002","3610.6","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H91 B Ge9 K N3 Si8 -","- C47 H91 B Ge9 K N3 Si8 -","- C94 H182 B2 Ge18 K2 N6 Si16 -","2","1","","Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F","FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs","Chemical Science","2021","","","","","10.1039/D1SC00811K","","","0.71073","MoKα","","0.0296","0.0253","","","0.0556","0.0574","","","","","","1.031","","","","has coordinates","263958","2021-04-08","01:09:44",""
"1561549","14.6663","0.0012","15.46","0.0016","18.0618","0.0017","65.417","0.007","82.365","0.007","88.648","0.008","3688.8","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H94 B Ge9 K N2 O Si8 -","- C48 H94 B Ge9 K N2 O Si8 -","- C96 H188 B2 Ge18 K2 N4 O2 Si16 -","2","1","","Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F","FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs","Chemical Science","2021","","","","","10.1039/D1SC00811K","","","0.71073","MoKα","","0.0915","0.0475","","","0.0937","0.1195","","","","","","1.084","","","","has coordinates","263958","2021-04-08","01:09:44",""
"1561550","16.4024","0.0012","16.8409","0.0013","17.5417","0.001","92.419","0.006","107.892","0.005","102.92","0.006","4462.2","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H114 B Ge9 K N2 O Si8 -","- C62 H114 B Ge9 K N2 O Si8 -","- C124 H228 B2 Ge18 K2 N4 O2 Si16 -","2","1","","Wallach, Chistoph; Geitner, Felix; Fässler, Thomas F","FLP-type Nitrile Activation and Cyclic Ether Ring Opening by Halo-Borane Nonagermanide-Cluster Lewis Acid-Base-Pairs","Chemical Science","2021","","","","","10.1039/D1SC00811K","","","0.71073","MoKα","","0.1025","0.0443","","","0.0727","0.0871","","","","","","0.901","","","","has coordinates","263958","2021-04-08","01:09:44",""
"1561583","10.5126","0.0012","13.2993","0.0015","13.3298","0.0015","88.442","0.003","84.692","0.003","69.641","0.003","1739.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H28 N4 -","- C52 H28 N4 -","- C104 H56 N8 -","2","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.1261","0.0622","","","0.1365","0.1637","","","","","","1.019","","","","has coordinates,has disorder","265911","2021-06-05","17:52:39",""
"1561584","6.9885","0.0003","10.0688","0.0004","14.6611","0.0005","90","","103.589","0.001","90","","1002.76","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0576","0.0376","","","0.0856","0.0935","","","","","","1.037","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561585","5.0524","0.0004","15.7417","0.0011","15.791","0.0011","90","","90","","90","","1255.91","0.16","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0646","0.0451","","","0.0924","0.0988","","","","","","1.065","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561586","18.41","0.003","11.5059","0.0017","12.1836","0.0018","90","","109.148","0.004","90","","2438","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 -","- C19 H12 -","- C152 H96 -","8","2","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.1942","0.1351","","","0.4055","0.4548","","","","","","2.077","","","","has coordinates,has disorder","265911","2021-06-05","17:52:40",""
"1561587","9.8601","0.0004","9.0281","0.0004","16.8983","0.0006","90","","90","","90","","1504.25","0.1","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C21 H20 -","- C21 H20 -","- C84 H80 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0619","0.049","","","0.1159","0.122","","","","","","1.054","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561588","17.209","0.0003","17.209","0.0006","28.557","0.0005","90","","90","","120","","7324.1","0.3","100","","100","","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C3 Cs2 K0.5 O68 P2 W18 -","- C3 Cs2 K0.5 O68 P2 W18 -","- C6 Cs4 K O136 P4 W36 -","2","0.166667","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","","0.61","synchrotron","","0.1532","0.1008","","","0.3464","0.3674","","","","","","1.057","","","","has coordinates","266117","2021-06-05","19:12:49",""
"1561589","24.1713","0.0015","16.5887","0.0009","12.6541","0.0006","90","","90","","90","","5073.9","0.5","153.15","","153.15","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- Cs5 O62 P2 W18 -","- Cs5.003 O62 P2 W18 -","- Cs10.006 O124 P4 W36 -","2","0.25","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","x-ray","0.71073","MoKα","","0.1326","0.0969","","","0.2643","0.2956","","","","","","1.049","","","","has coordinates,has disorder","266117","2021-06-05","19:12:50",""
"1561590","17.261","0.005","30.571","0.008","28.331","0.008","90","","105.688","0.008","90","","14393","7","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs5 O62 P2 W18 -","- Cs5 O62 P2 W18 -","- Cs20 O248 P8 W72 -","4","1","","Ogiwara, Naoki; Tomoda, Masahiro; Miyazaki, Shotaro; Weng, Zhewei; Takatsu, Hiroshi; Kageyama, Hiroshi; Misawa, Toshiyuki; Ito, Takeru; Uchida, Sayaka","Integrating molecular design and crystal engineering approaches in non-humidified intermediate-temperature proton conductors based on a Dawson-type polyoxometalate and poly(ethylene glycol) derivatives.","Nanoscale","2021","13","17","8049","8057","10.1039/d1nr01220g","","","0.71075","MoKα","","0.1981","0.174","","","0.4477","0.4733","","","","","","1.582","","","","has coordinates,has disorder","266117","2021-06-05","19:12:50",""
"1561633","5.4887","0.0009","9.247","0.0012","27.457","0.002","90","","94.75","0.01","90","","1388.8","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione","","- C14 H12 N4 O3 S -","- C14 H12 N4 O3 S -","- C56 H48 N16 O12 S4 -","4","1","HB4377","Kotha, Sambasivarao; Gupta, Naveen Kumar; Ansari, Saima","5-[(1,3-Dimethyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)amino]-2-methylisoindoline-1,3-dione","IUCrData","2021","6","4","","","10.1107/S2414314621003229","","x-ray","0.71073","MoKα","","0.0968","0.061","","","0.1326","0.1534","","","","","","1.039","","","","has coordinates,has Fobs","264038","2021-04-10","05:21:33",""
"1561634","9.7398","0.0004","4.654","0.0002","20.1866","0.0009","90","","100.842","0.004","90","","898.71","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide","","- C16 H12 Cl4 N2 O4 -","- C16 H12 Cl4 N2 O4 -","- C32 H24 Cl8 N4 O8 -","2","0.5","HB4380","El-Hiti, Gamal A; Abdel-Wahab, Bakr F.; Yousif, Emad; Hegazy, Amany S.; Kariuki, Benson M.","2-(2,4-Dichlorophenoxy)-<i>N</i>'-[2-(2,4-dichlorophenoxy)acetyl]acetohydrazide","IUCrData","2021","6","4","x210318","","10.1107/S2414314621003187","","","1.54184","CuKα","","0.0613","0.0525","","","0.1391","0.1526","","","","","","1.026","","","","has coordinates,has Fobs","264039","2021-04-10","05:21:55",""
"1561635","8.1123","0.0004","15.8713","0.0009","27.6155","0.0014","90","","90","","90","","3555.6","0.3","120","0.1","120","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","","- C22 H20 O3 -","- C22 H20 O3 -","- C176 H160 O24 -","8","1","HB4378","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-(Diphenylmethoxy)-3-ethoxybenzaldehyde","IUCrData","2021","6","4","x210356","","10.1107/S2414314621003564","","x-ray","0.71073","MoKα","","0.0612","0.0402","","","0.0973","0.1065","","","","1.5413","1.5413","1.4369","","","","has coordinates,has Fobs","264040","2021-04-10","05:22:17",""
"1561636","7.664","0.003","9.876","0.003","13.018","0.005","91.602","0.012","104.301","0.013","101.729","0.013","931.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-amino-4-methylthiophene-3-carboxylate","","- C8 H11 N O2 S -","- C8 H11 N O2 S -","- C32 H44 N4 O8 S4 -","4","2","BT4112","Khanum, Ghazala; Fatima, Aysha; Sharma, Pooja; Srivastava, S. K.; Butcher, Ray J.","Ethyl 2-amino-4-methylthiophene-3-carboxylate","IUCrData","2021","6","4","x210351","","10.1107/S2414314621003515","","","0.71073","MoKα","","0.084","0.0566","","","0.15","0.1684","","","","","","1.028","","","","has coordinates,has Fobs","264041","2021-04-10","05:22:44",""
"1561637","6.0518","0.0002","27.7837","0.0007","6.9028","0.0002","90","","90.497","0.002","90","","1160.6","0.06","94.98","0.1","94.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","","- C11 H15 Br N2 O2 -","- C11 H15 Br N2 O2 -","- C44 H60 Br4 N8 O8 -","4","2","BT4109","Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav","4-Bromo-2-[({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol","IUCrData","2021","6","4","x210335","","10.1107/S2414314621003357","","x-ray","1.54184","CuKα","","0.0553","0.0546","","","0.1339","0.1343","","","","2.3377","2.3377","2.3049","","","","has coordinates,has Fobs","264042","2021-04-10","05:23:09",""
"1561638","12.4055","0.0002","22.5129","0.0003","9.4377","0.0001","90","","91.882","0.001","90","","2634.37","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C120 H168 O16 -","4","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.05","0.0446","","","0.1161","0.1205","","","","","","1.09","","","","has coordinates,has disorder","264044","2021-04-11","00:53:28",""
"1561639","15.257","0.003","9.9205","0.0007","23.3519","0.0013","90","","90","","90","","3534.5","0.8","107","2","107","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0567","0.05","","","0.1299","0.1364","","","","","","1.048","","","","has coordinates","264044","2021-04-11","00:53:29",""
"1561640","7.7751","0.0002","11.2883","0.0002","41.1933","0.001","90","","90","","90","","3615.44","0.14","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0628","0.058","","","0.1437","0.1466","","","","","","1.072","","","","has coordinates,has disorder","264044","2021-04-11","00:53:29",""
"1561641","6.0339","0.0001","11.8215","0.0003","13.8305","0.0003","110.674","0.002","101.373","0.002","97.79","0.002","881.95","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C42 H60 O6 -","2","1","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0443","0.0425","","","0.1141","0.116","","","","","","1.073","","","","has coordinates","264044","2021-04-11","00:53:29",""
"1561642","14.5922","0.0001","15.5056","0.0001","17.9599","0.0001","104.166","0.001","110.403","0.001","98.982","0.001","3560.15","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C168 H240 O24 -","8","4","","Wang, Ru-Bing; Ma, Shuanggang; Jamieson, Cooper S.; Gao, Rong-Mei; Liu, Yunbao; Li, Yong; Wang, Xiaojing; Li, Yuhuan; Houk, Kendall N.; Qu, Jing; Yu, Shi-shan","Library construction of stereochemically diverse isomers of spirooliganin: their total synthesis and antiviral activity","Chemical Science","2021","","","","","10.1039/D1SC01277K","","","1.54184","CuKα","","0.0434","0.0395","","","0.1046","0.1077","","","","","","1.028","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1561668","22.33","0.007","10.12","0.003","31.991","0.008","90","","99.196","0.006","90","","7136","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C80 H96 K4 O8 -","- C80 H96 K4 O8 -","- C320 H384 K16 O32 -","4","0.5","","Rogachev, Andrey Yu.; Zhou, Zheng; Liu, Shuyang; Wei, Zheng; Schaub, Tobias A.; Jasti, Ramesh; Petrukhina, Marina A.","Stretching [8]cycloparaphenylene with encapsulated potassium cations: structural and theoretical insights into core perturbation upon four-fold reduction and complexation","Chemical Science","2021","","","","","10.1039/D1SC00713K","","","0.71073","MoKα","","0.2049","0.1508","","","0.3157","0.3469","","","","","","1.088","","","","has coordinates,has disorder","264065","2021-04-13","00:53:42",""
"1561669","19.6886","0.0013","19.6886","0.0013","26.1118","0.0019","90","","90","","90","","10122","1.2","150","2","150.01","","","","","","","","","6","I -4","I -4","82","","","","- As4 K5 Na O170 Ru4 W40 -","- As4 K5 Na O170 Ru4 W40 -","- As8 K10 Na2 O340 Ru8 W80 -","2","0.25","","Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.","Nanoscale","2021","13","17","8077","8086","10.1039/d1nr01447a","","","0.71073","MoKα","","0.0605","0.0481","","","0.1141","0.1196","","","","","","1.048","","","","has coordinates","266118","2021-06-05","19:13:01",""
"1561670","19.178","0.003","19.677","0.003","30.803","0.005","94.414","0.005","98.453","0.005","116.279","0.004","10176","3","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- As4 Cl2 K Na12 O179.5 W40 -","- As4 Cl2 K Na12 O179.5 W40 -","- As8 Cl4 K2 Na24 O359 W80 -","2","1","","Li, Huafeng; Chen, Wenjing; Zhao, Yujie; Zou, Yan; Zhao, Xue; Song, Junpeng; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Regulating the catalytic activity of multi-Ru-bridged polyoxometalates based on differential active site environments with six-coordinate geometry and five-coordinate geometry transitions.","Nanoscale","2021","13","17","8077","8086","10.1039/d1nr01447a","","","0.71073","MoKα","","0.0722","0.0443","","","0.0881","0.0989","","","","","","1.01","","","","has coordinates","266118","2021-06-05","19:13:01",""
"1561699","26.9877","0.0004","5.7256","0.0001","9.8987","0.0002","90","","90.078","0.002","90","","1529.55","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 N O5 S -","- C14 H21 N O5 S -","- C56 H84 N4 O20 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.035","0.0326","","","0.0843","0.0863","","","","","","1.051","","","","has coordinates","264103","2021-04-14","00:47:10",""
"1561700","23.1972","0.0002","6.10055","0.00007","9.242","0.00009","90","","90.2932","0.0009","90","","1307.87","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C52 H68 N4 O12 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0365","0.0343","","","0.0952","0.0974","","","","","","1.09","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561701","22.5244","0.0002","10.26708","0.0001","12.02634","0.00011","90","","96.6693","0.0009","90","","2762.39","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H33 N O9 S -","- C26 H33 N O9 S -","- C104 H132 N4 O36 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0359","0.0355","","","0.0938","0.0944","","","","","","1.012","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561702","11.83783","0.00011","10.04452","0.0001","10.01996","0.00009","90","","96.4304","0.0008","90","","1183.93","0.019","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 F2 N O3 S -","- C10 H17 F2 N O3 S -","- C40 H68 F8 N4 O12 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0309","0.0298","","","0.0751","0.0759","","","","","","1.075","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561703","18.4344","0.0002","6.101","0.0001","9.7772","0.0001","90","","91.605","0.001","90","","1099.19","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N O4 S -","- C9 H17 N O4 S -","- C36 H68 N4 O16 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0391","0.0369","","","0.1014","0.1034","","","","","","1.094","","","","has coordinates,has disorder","264103","2021-04-14","00:47:11",""
"1561704","6.4731","0.0001","19.8101","0.0002","11.0428","0.0001","90","","94.993","0.001","90","","1410.68","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 N O2 S -","- C14 H25 N O2 S -","- C56 H100 N4 O8 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0339","0.0321","","","0.0856","0.0871","","","","","","1.048","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561705","5.4965","0.0002","24.4849","0.0012","9.7713","0.0004","90","","105.544","0.004","90","","1266.94","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 N O3 S -","- C12 H17 N O3 S -","- C48 H68 N4 O12 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0531","0.0486","","","0.1217","0.1239","","","","","","1.084","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561706","5.4957","0.0001","5.8614","0.0002","18.6487","0.0006","83.542","0.003","88.913","0.002","82.753","0.002","592.13","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 N3 O3 S2 -","- C9 H11 N3 O3 S2 -","- C18 H22 N6 O6 S4 -","2","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0396","0.0375","","","0.0985","0.1002","","","","","","1.08","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561707","14.0325","0.0004","6.2686","0.0001","18.2532","0.0005","90","","110.571","0.003","90","","1503.25","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Photocatalytic decarboxylative amidosulfonation enables direct transformation of carboxylic acids to sulfonamides","Chemical Science","2021","","","","","10.1039/D1SC01389K","","x-ray","1.54184","CuKα","","0.0487","0.0445","","","0.1072","0.1096","","","","","","1.082","","","","has coordinates","264103","2021-04-14","00:47:11",""
"1561708","7.9855","0.0009","13.5742","0.0015","17.6103","0.0019","90","","91.463","0.004","90","","1908.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(2,3-Dichlorophenyl)piperazin-1-ium picrate","4-(2,3-Dichlorophenyl)piperazin-1-ium 2,4,6-trinitrophenolate","","- C16 H15 Cl2 N5 O7 -","- C16 H15 Cl2 N5 O7 -","- C64 H60 Cl8 N20 O28 -","4","1","BV4037","Sathya, Udhayasuriyan; Nirmal Ram, Jeyaraman Selvaraj; Gomathi, Sundaramoorthy; Ramu, Shyamaladevi; Jegan Jennifer, Samson; Ibrahim, Abdul Razak","4-(2,3-Dichlorophenyl)piperazin-1-ium picrate","IUCrData","2021","6","4","x210379","","10.1107/S2414314621003795","","","0.71073","MoKα","","0.0802","0.052","","","0.1285","0.1499","","","","","","1.014","","","","has coordinates,has Fobs","264119","2021-04-14","05:17:05",""
"1561776","9.4427","0.0002","38.5575","0.0006","9.5037","0.0002","90","","94.951","0.002","90","","3447.26","0.12","172.99","0.1","172.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 B Cl2 Cu N4 P2 S -","- C35 H32 B Cl2 Cu N4 P2 S -","- C140 H128 B4 Cl8 Cu4 N16 P8 S4 -","4","1","","Yu, Xiao; Li, Xiaoyue; Cai, Zelun; Sun, Lingzhi; Wang, Chengbo; Rao, Haixia; Wei, Chen; Bian, Zuqiang; Jin, Qionghua; Liu, Zhiwei","Mechanochromic properties in a mononuclear Cu(I) complex without cuprophilic interactions.","Chemical communications (Cambridge, England)","2021","57","41","5082","5085","10.1039/d1cc01229k","","x-ray","1.54184","CuKα","","0.0765","0.0727","","","0.2125","0.2166","","","","","","1.064","","","","has coordinates","265856","2021-06-05","17:22:07",""
"1561777","11.20173","0.00011","8.45092","0.00009","18.9038","0.0002","90","","96.6573","0.001","90","","1777.46","0.03","173","","173","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H32 B Cl2 Cu N4 P2 S -","- C35 H32 B Cl2 Cu N4 P2 S -","- C70 H64 B2 Cl4 Cu2 N8 P4 S2 -","2","1","","Yu, Xiao; Li, Xiaoyue; Cai, Zelun; Sun, Lingzhi; Wang, Chengbo; Rao, Haixia; Wei, Chen; Bian, Zuqiang; Jin, Qionghua; Liu, Zhiwei","Mechanochromic properties in a mononuclear Cu(I) complex without cuprophilic interactions.","Chemical communications (Cambridge, England)","2021","57","41","5082","5085","10.1039/d1cc01229k","","x-ray","1.54184","CuKα","","0.0517","0.0509","","","0.1366","0.1377","","","","","","1.035","","","","has coordinates","265856","2021-06-05","17:22:07",""
"1561778","52.9651","0.0013","8.6539","0.0002","19.4197","0.0004","90","","91.443","0.002","90","","8898.3","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 F3 N3 O3 -","- C21 H28 F3 N3 O3 -","- C336 H448 F48 N48 O48 -","16","2","","Jiang, Tuo; Bordi, Samuele; McMillan, Angus Erland; Chen, Kuang-Yen; Saito, Fumito; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","An Integrated Console for Capsule-Based, Automated Organic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC01048D","","x-ray","1.54184","CuKα","","0.0976","0.0618","","","0.1688","0.1935","","","","","","1.035","","","","has coordinates,has disorder","264175","2021-04-15","00:52:42",""
"1561779","8.725","0.0003","11.2299","0.0006","12.2001","0.0005","79.147","0.004","80.009","0.003","73.949","0.004","1118.85","0.09","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 F3 N3 O3 -","- C21 H28 F3 N3 O3 -","- C42 H56 F6 N6 O6 -","2","1","","Jiang, Tuo; Bordi, Samuele; McMillan, Angus Erland; Chen, Kuang-Yen; Saito, Fumito; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","An Integrated Console for Capsule-Based, Automated Organic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC01048D","","x-ray","1.54184","CuKα","","0.0768","0.048","","","0.1412","0.1644","","","","","","1.034","","","","has coordinates,has disorder","264175","2021-04-15","00:52:42",""
"1561780","8.984","0.008","17.472","0.003","12.48","0.003","90","","99.44","0.01","90","","1932.4","1.8","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C17 H22 Cu N4 O6.5 -","- C17 H22 Cu N4 O6.5 -","- C68 H88 Cu4 N16 O26 -","4","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","","0.71073","MoKα","","0.1886","0.0427","","","0.0927","0.1204","","","","","","0.972","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1561781","9.1526","0.0004","13.794","0.0006","15.1145","0.0006","107.493","0.002","92.096","0.002","102.376","0.002","1767.2","0.13","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C38 H32 O8 -","- C38 H32 O8 -","- C76 H64 O16 -","2","1","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0574","0.0443","","","0.1474","0.165","","","","","","1.073","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561782","9.4795","0.0009","13.3263","0.0011","26.101","0.003","94.943","0.003","98.261","0.004","98.981","0.003","3203.1","0.5","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C41 H37 N O6 -","- C41 H37 N O6 -","- C164 H148 N4 O24 -","4","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0721","0.0456","","","0.1031","0.1159","","","","","","1.014","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561783","9.7076","0.0004","11.8242","0.0004","12.4785","0.0004","87.701","0.001","78.041","0.001","89.185","0.001","1400.1","0.09","150","2","150","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C38 H28 O8 -","- C38 H28 O8 -","- C76 H56 O16 -","2","1","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0539","0.0396","","","0.1014","0.1098","","","","","","1.04","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561784","13.107","0.002","13.566","0.002","32.525","0.006","90","","90.549","0.008","90","","5783","1.6","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 O8 -","- C38 H30 O8 -","- C304 H240 O64 -","8","2","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.2878","0.2032","","","0.4287","0.4658","","","","","","1.112","","","","has coordinates","266145","2021-06-05","19:22:23",""
"1561785","12.2704","0.0011","12.9162","0.001","14.0637","0.0011","105.461","0.003","91.247","0.003","115.181","0.003","1920.6","0.3","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C45 H37 Cl2 O6 P S -","- C45 H37 Cl2 O6 P S -","- C90 H74 Cl4 O12 P2 S2 -","2","1","","Mokrai, Réka; Szűcs, Rózsa; Duffy, Matthew P.; Dorcet, Vincent; Roisnel, Thierry; Benkő, Zoltán; Nyulászi, László; Bouit, Pierre-Antoine; Hissler, Muriel","Topologically diverse polycyclic aromatic hydrocarbons from pericyclic reactions with polyaromatic phospholes","New Journal of Chemistry","2021","45","18","8118","8124","10.1039/D1NJ01194D","","x-ray","0.71073","MoKα","","0.0818","0.0542","","","0.1235","0.1359","","","","","","1.088","","","","has coordinates,has disorder","266145","2021-06-05","19:22:23",""
"1561832","17.6388","0.0004","17.6388","0.0004","29.2421","0.001","90","","90","","90","","9098","0.4","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 Gd2 N11 O14.5 -","- C39 H50 Gd2 N11 O14.5 -","- C312 H400 Gd16 N88 O116 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0311","0.0259","","","0.0652","0.068","","","","","","1.069","","","","has coordinates,has disorder","264219","2021-04-16","01:01:19",""
"1561833","17.6029","0.0006","17.6029","0.0006","29.0488","0.0015","90","","90","","90","","9001.1","0.6","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H53 N11 O16 Y2 -","- C39 H50 N11 O14.5 Y2 -","- C312 H400 N88 O116 Y16 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0477","0.0342","","","0.0769","0.0835","","","","","","1.039","","","","has coordinates,has disorder","264219","2021-04-16","01:01:29",""
"1561834","17.5856","0.0005","17.5856","0.0005","28.9382","0.0012","90","","90","","90","","8949.2","0.5","100","","100","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H50 Lu2 N11 O14.5 -","- C39 H50 Lu2 N11 O14.5 -","- C312 H400 Lu16 N88 O116 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0268","0.0232","","","0.0553","0.0572","","","","","","1.098","","","","has coordinates,has disorder","264219","2021-04-16","01:01:31",""
"1561835","17.5896","0.0007","17.5896","0.0007","28.9543","0.0019","90","","90","","90","","8958.3","0.8","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C39 H50 Lu N11 O14.5 Yb -","- C39 H50 Lu N11 O14.5 Yb -","- C312 H400 Lu8 N88 O116 Yb8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0333","0.0278","","","0.0632","0.0669","","","","","","1.164","","","","has coordinates,has disorder","264219","2021-04-16","01:01:41",""
"1561836","17.6212","0.0003","17.6212","0.0003","29.1165","0.001","90","","90","","90","","9040.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 Gd N11 O14.5 Yb -","- C39 H50 Gd N11 O14.5 Yb -","- C312 H400 Gd8 N88 O116 Yb8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0273","0.0239","","","0.0594","0.0618","","","","","","1.11","","","","has coordinates,has disorder","264219","2021-04-16","01:01:44",""
"1561837","17.5884","0.0005","17.5884","0.0005","28.9743","0.0013","90","","90","","90","","8963.3","0.5","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C39 H50 Lu N11 O14.5 Y -","- C39 H50 Lu N11 O14.5 Y -","- C312 H400 Lu8 N88 O116 Y8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0312","0.0266","","","0.0672","0.0699","","","","","","1.079","","","","has coordinates,has disorder","264219","2021-04-16","01:01:54",""
"1561838","17.6236","0.0004","17.6236","0.0004","29.062","0.0011","90","","90","","90","","9026.4","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 Gd Lu N11 O14.5 -","- C39 H50 Gd Lu N11 O14.5 -","- C312 H400 Gd8 Lu8 N88 O116 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0309","0.0246","","","0.0565","0.0594","","","","","","1.101","","","","has coordinates,has disorder","264219","2021-04-16","01:01:56",""
"1561839","17.5997","0.0005","17.5997","0.0005","28.979","0.0012","90","","90","","90","","8976.2","0.5","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 N11 O14.5 Y Yb -","- C39 H50 N11 O14.5 Y Yb -","- C312 H400 N88 O116 Y8 Yb8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0341","0.0282","","","0.0679","0.071","","","","","","1.067","","","","has coordinates,has disorder","264219","2021-04-16","01:02:05",""
"1561840","17.6312","0.0004","17.6312","0.0004","29.2044","0.0012","90","","90","","90","","9078.5","0.5","100","","100","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C39 H52 Gd N11 O15.5 Y -","- C39 H50 Gd N11 O14.5 Y -","- C312 H400 Gd8 N88 O116 Y8 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0362","0.0289","","","0.065","0.0693","","","","","","1.057","","","","has coordinates,has disorder","264219","2021-04-16","01:02:08",""
"1561841","17.5867","0.0005","17.5867","0.0005","28.966","0.0013","90","","90","","90","","8959","0.5","100","","100","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C39 H50 N11 O14.5 Yb2 -","- C39 H50 N11 O14.5 Yb2 -","- C312 H400 N88 O116 Yb16 -","8","1","","Buch, Christian Dirk; Hansen, Steen H.; Mitcov, Dmitri; Tram, Camilla Mia; Nichol, Gary Stephen; Brechin, Euan K.; Piligkos, Stergios","Design of Pure Heterodinuclear Lanthanoid Cryptate Complexes","Chemical Science","2021","","","","","10.1039/D1SC00987G","","","0.71073","MoKα","","0.0356","0.0274","","","0.0654","0.0698","","","","","","1.139","","","","has coordinates,has disorder","264219","2021-04-16","01:02:18",""
"1561842","12.486","0.002","27.199","0.003","13.881","0.002","90","","90","","90","","4714.1","1.1","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C36 H45 Cl12 I2 N7 -","- C36 H45 Cl12 I2 N7 -","- C144 H180 Cl48 I8 N28 -","4","0.5","","Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik","Bright Luminescent Lithium and Magnesium Carbene Complexes","Chemical Science","2021","","","","","10.1039/D1SC00846C","","","0.71073","MoKα","","0.0589","0.0462","","","0.1236","0.135","","","","","","1.052","","","","has coordinates,has disorder","264220","2021-04-16","01:04:45",""
"1561843","14.6296","0.0004","18.3265","0.0004","16.323","0.0004","90","","93.471","0.001","90","","4368.32","0.19","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H116 I4 Li6 N14 O4 -","- C80 H116 I4 Li6 N14 O4 -","- C160 H232 I8 Li12 N28 O8 -","2","0.5","","Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik","Bright Luminescent Lithium and Magnesium Carbene Complexes","Chemical Science","2021","","","","","10.1039/D1SC00846C","","","0.71073","MoKα","","0.0243","0.0202","","","0.0453","0.0474","","","","","","1.038","","","","has coordinates,has disorder","264220","2021-04-16","01:04:45",""
"1561844","10.5612","0.0006","15.8193","0.0009","15.8498","0.0008","113.98","0.002","96.942","0.002","105.305","0.002","2254.1","0.2","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H58 I N7 -","- C50 H58 I N7 -","- C100 H116 I2 N14 -","2","1","","Pinter, Piermaria; Schuesslbauer, Christoph; Watt, Fabian A.; Dickmann, Nicole; Herbst-Irmer, Regine; Morgenstern, Bernd; Gruenwald, Annette; Ullrich, Tobias; Zimmer, Michael; Hohloch, Stephan; Guldi, Dirk M.; Munz, Dominik","Bright Luminescent Lithium and Magnesium Carbene Complexes","Chemical Science","2021","","","","","10.1039/D1SC00846C","","","0.71073","MoKα","","0.0976","0.0536","","","0.0861","0.0978","","","","","","1.016","","","","has coordinates","264220","2021-04-16","01:04:46",""
"1561874","4.0327","0.0018","9.774","0.005","16.841","0.008","104.639","0.013","91.864","0.013","95.118","0.014","638.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","NTB2","","- C13 H9 Br2 N O S -","- C13 H9 Br2 N O S -","- C26 H18 Br4 N2 O2 S2 -","2","1","","John, Athira T.; Narayanasamy, Akshaya; George, Deepu; Hariharan, Mahesh","Atom-Efficient Halogen‒Halogen Interactions Assist One-, Two-, and Three-Dimensional Molecular Zippers","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01724","","","0.71073","MoKα","","0.1265","0.0515","","","0.1125","0.1477","","","","","","1.016","","","","has coordinates","264258","2021-04-16","23:16:10",""
"1561875","13.982","0.003","13.982","0.003","67.108","0.015","90","","90","","120","","11362","4","120","2","120","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C70 H73 Br3 F12 Fe N6 O10 P2 -","- C69.98 H72.94 Br3 F12 Fe N6 O9.99 P1.9999 -","- C419.88 H437.64 Br18 F72 Fe6 N36 O59.94 P11.9994 -","6","0.333333","","Morozumi, Takuma; Matsuoka, Ryota; Nakamura, Takashi; Nabeshima, Tatsuya","Solvent-dependent fac/mer-isomerization and self-assembly of triply helical complexes bearing a pivot part","Chemical Science","2021","","","","","10.1039/D1SC01529J","","","0.71073","MoKα","","0.1028","0.0643","","","0.176","0.1997","","","","","","1.068","","","","has coordinates,has disorder","264260","2021-04-17","00:46:59",""
"1561876","8.6462","0.0014","9.7989","0.0015","10.1011","0.0018","68.887","0.005","71.065","0.005","82.137","0.006","755","0.2","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl Cu N4 S2 -","- C13 H11 Cl Cu N4 S2 -","- C26 H22 Cl2 Cu2 N8 S4 -","2","1","","Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin","Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer.","Journal of medicinal chemistry","2021","","","","","10.1021/acs.jmedchem.0c01936","","","0.70932","MoKα","","0.1097","0.0887","","","0.252","0.2749","","","","","","1.116","","","","has coordinates","264279","2021-04-17","22:53:30",""
"1561877","7.9731","0.0009","9.8264","0.0011","10.9176","0.0014","76.501","0.005","85.908","0.006","73.399","0.005","797.05","0.16","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 Cu2 N10 O6 S4 -","- C26 H22 Cu2 N10 O6 S4 -","- C26 H22 Cu2 N10 O6 S4 -","1","0.5","","Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin","Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer.","Journal of medicinal chemistry","2021","","","","","10.1021/acs.jmedchem.0c01936","","","0.70932","MoKα","","0.0385","0.0348","","","0.087","0.0887","","","","","","1.119","","","","has coordinates","264280","2021-04-17","22:53:52",""
"1561878","10.7395","0.0011","16.0006","0.0014","18.9882","0.0016","90","","96.286","0.007","90","","3243.3","0.5","296","","296","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Br3 Cu3 N8 S4 -","- C26 H22 Br3 Cu3 N8 S4 -","- C104 H88 Br12 Cu12 N32 S16 -","4","0.5","","Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin","Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer.","Journal of medicinal chemistry","2021","","","","","10.1021/acs.jmedchem.0c01936","","","0.70932","MoKα","","0.0784","0.0504","","","0.092","0.0994","","","","","","1.122","","","","has coordinates","264281","2021-04-17","22:54:19",""
"1561941","17.2764","0.001","25.4667","0.0013","18.4671","0.0013","90","","95.669","0.007","90","","8085.3","0.9","309","200","309","200","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","123","","- C54 H26 Cd3 N2 O16 -","- C54 H26 Cd3 N2 O16 -","- C216 H104 Cd12 N8 O64 -","4","0.5","","Jiao, Zhuo-Hao; Hou, Sheng-Li; Kang, Xiao-Min; Yang, Xiu-Pei; Zhao, Bin","Recyclable Luminescence Sensor for Dinotefuran in Water by Stable Cadmium‒Organic Framework","Analytical Chemistry","2021","","","","","10.1021/acs.analchem.1c01007","","x-ray","0.71073","MoKα","","0.0728","0.0448","","","0.098","0.1076","","","","","","0.991","","","","has coordinates","264319","2021-04-19","21:59:22",""
"1561942","8.4255","0.0005","12.3597","0.0008","13.7917","0.0009","104.032","0.003","98.783","0.003","90.292","0.003","1375.7","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H20 Br N5 O8 Ru S3 -","- C19 H30 Br N5 O8 Ru S3 -","- C38 H60 Br2 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J.","Nanooptomechanical Transduction in a Single Crystal with 100% Photoconversion","The Journal of Physical Chemistry C","2021","125","16","8907","8915","10.1021/acs.jpcc.1c02457","","","0.71073","MoKα","","0.2339","0.0691","","","0.1403","0.1831","","","","","","0.814","","","","has coordinates,has disorder","264821","2021-05-04","00:50:57",""
"1561943","21.6002","0.0005","13.9128","0.0003","15.8199","0.0006","90","","120.926","0.001","90","","4078.3","0.2","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 N4 O6 -","- C46 H52 N4 O6 -","- C184 H208 N16 O24 -","4","0.5","","Liu, Dongming; Song, Bo; Wang, Jia; Li, Baoxi; Wang, Bingnan; Li, Mingzhao; Qin, Anjun; Tang, Ben Zhong","CO2-Involved and Isocyanide-Based Three-Component Polymerization toward Functional Heterocyclic Polymers with Self-Assembly and Sensing Properties","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00312","","","0.71073","MoKα","","0.0572","0.0471","","","0.1232","0.1323","","","","","","1.037","","","","has coordinates","264321","2021-04-19","23:50:34",""
"1561944","24.1177","0.0008","5.9556","0.0002","29.0641","0.0009","90","","100.642","0.001","90","","4102.8","0.2","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H96 N8 O11 -","- C88 H96 N8 O11 -","- C176 H192 N16 O22 -","2","0.5","","Liu, Dongming; Song, Bo; Wang, Jia; Li, Baoxi; Wang, Bingnan; Li, Mingzhao; Qin, Anjun; Tang, Ben Zhong","CO2-Involved and Isocyanide-Based Three-Component Polymerization toward Functional Heterocyclic Polymers with Self-Assembly and Sensing Properties","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00312","","","0.71073","MoKα","","0.0983","0.0742","","","0.2096","0.2314","","","","","","1.03","","","","has coordinates,has disorder","264322","2021-04-19","23:50:57",""
"1561945","7.2866","0.0005","8.5212","0.0006","12.1832","0.0008","71.376","0.001","81.745","0.001","83.682","0.001","707.76","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","I","3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate","","- C11 H13 Br2 N O4 -","- C11 H13 Br2 N O4 -","- C22 H26 Br4 N2 O8 -","2","1","HB4381","Noland, Wayland E.; Herzig, Ryan J.; Fox, Renee C.; Tritch, Kenneth J.","3,5-Dibromo-4-carbamoylbenzoic acid 2-propanol monosolvate","IUCrData","2021","6","4","x210391","","10.1107/S2414314621003916","","","0.71073","MoKα","","0.0326","0.0262","","","0.0622","0.0649","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","264353","2021-04-21","05:21:11",""
"1561946","12.3428","0.0006","8.4603","0.0004","16.0543","0.0006","90","","92.881","0.004","90","","1674.33","0.13","93.15","","93.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)","","- C8 H22 Cl2 N4 O9 Zn -","- C8 H22 Cl2 N4 O9 Zn -","- C32 H88 Cl8 N16 O36 Zn4 -","4","1","VM4048","Ichimaru, Yoshimi; Kato, Koichi; Kurosaki, Hiromasa; Fujioka, Haruto; Sakai, Misa; Yamaguchi, Yoshihiro; Wanchun, Jin; Sugiura, Kirara; Imai, Masanori; Koike, Tohru","Aqua(1,4,7,10-tetraazacyclododecane)zinc(II) bis(perchlorate)","IUCrData","2021","6","4","","","10.1107/S2414314621003977","","x-ray","1.54184","CuKα","","0.0758","0.0665","","","0.1811","0.1856","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","264354","2021-04-21","05:21:36",""
"1561947","5.7753","0.001","7.6025","0.001","5.4222","0.001","90","","90","","90","","238.07","0.07","323","","323","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.8Fe0.2O2.9","","","- Fe0.8 Mn3.2 Nd4 O11.6 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0363","1.342","","","","","","","has coordinates","264355","2021-04-21","07:45:16",""
"1561948","5.621","0.001","7.842","0.001","5.519","0.001","90","","90","","90","","243.28","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.8Fe0.2O2.9","","","- Fe0.8 Mn3.2 Nd4 O11.6 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","- Fe0.8 Mn3.2 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0407","1.536","","","","","","","has coordinates","264356","2021-04-21","07:52:31",""
"1561949","5.6046","0.001","7.8383","0.001","5.5186","0.001","90","","90","","90","","242.44","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.8Fe0.2O3","","","- Fe0.8 Mn3.2 Nd4 O12 -","- Fe0.8 Mn3.2 Nd4 O12 -","- Fe0.8 Mn3.2 Nd4 O12 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0322","1.151","","","","","","","has coordinates","264357","2021-04-21","07:52:40",""
"1561950","5.6346","0.001","7.842","0.001","5.5179","0.001","90","","90","","90","","243.82","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O2.9","","","- Fe0.4 Mn3.6 Nd4 O11.6 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.04138","1.562","","","","","","","has coordinates","264358","2021-04-21","07:52:59",""
"1561951","5.8096","0.001","7.5778","0.001","5.4196","0.001","90","","90","","90","","238.59","0.07","323","","323","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O2.9","","","- Fe0.4 Mn3.6 Nd4 O11.6 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","- Fe0.4 Mn3.6 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0493","2.259","","","","","","","has coordinates","264359","2021-04-21","07:53:23",""
"1561952","5.5927","0.001","7.8178","0.001","5.5063","0.001","90","","90","","90","","240.75","0.07","1273","","1273","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0336","1.156","","","","","","","has coordinates","264360","2021-04-21","07:53:30",""
"1561953","5.6657","0.001","7.6228","0.001","5.4186","0.001","90","","90","","90","","234.02","0.07","323","","323","","","","","","","","","4","P n m a","-P 2ac 2n","62","NdMn0.9Fe0.1O3","","","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","- Fe0.4 Mn3.6 Nd4 O12 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0415","1.588","","","","","","","has coordinates","264361","2021-04-21","07:53:36",""
"1561954","5.6392","0.001","7.8384","0.001","5.5155","0.001","90","","90","","90","","243.8","0.07","1273","","1273","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO2.9","","","- Mn4 Nd4 O11.6 -","- Mn4 Nd4 O11.6004 -","- Mn4 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0398","1.567","","","","","","","has coordinates","264362","2021-04-21","07:53:48",""
"1561955","5.8463","0.001","7.5498","0.001","5.4169","0.001","90","","90","","90","","239.09","0.07","323","","323","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO2.9","","","- Mn4 Nd4 O11.6 -","- Mn4 Nd4 O11.6004 -","- Mn4 Nd4 O11.6004 -","1","0.125","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.045","2.096","","","","","","","has coordinates","264363","2021-04-21","07:53:56",""
"1561956","5.6021","0.001","7.8322","0.001","5.5149","0.001","90","","90","","90","","241.98","0.07","1273","","1273","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO3","","","- Mn Nd O3 -","- Mn Nd O3 -","- Mn4 Nd4 O12 -","4","0.5","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0283","1.014","","","","","","","has coordinates","264364","2021-04-21","07:54:10",""
"1561957","5.6748","0.001","7.602","0.001","5.4108","0.001","90","","90","","90","","233.42","0.07","323","","323","","","","","","","","","3","P n m a","-P 2ac 2n","62","NdMnO3","","","- Mn Nd O3 -","- Mn Nd O3 -","- Mn4 Nd4 O12 -","4","0.5","","Matus Mihalik","Cooperative Jahn-Teller effect in NdMn1-xFexO3 (0 <= x <= 0.2)","Journal of Alloys and Compounds","2021","857","","157612","","10.1016/j.jallcom.2020.157612","","","1.54056","CuKα~1~","","","","","","","","","0.0394","1.319","","","","","","","has coordinates","264365","2021-04-21","07:54:22",""
"1562005","9.138","0.0011","13.8136","0.0018","15.8299","0.0019","90","","90","","90","","1998.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C96 H120 N8 O4 -","4","1","","Panahi, Farhad; Khosravi, Hormoz; Bauer, Felix; Breit, Bernhard","Asymmetric hydroalkylation of alkynes and allenes with imidazolidinone derivatives: α-alkenylation of α-amino acids","Chemical Science","2021","12","21","7388","7392","10.1039/D1SC00240F","","","0.71073","MoKα","","0.0609","0.0431","","","0.0843","0.0917","","","","","","1.058","","","","has coordinates","265936","2021-06-05","18:02:53",""
"1562006","25.1903","0.001","29.0888","0.0012","64.585","0.003","90","","90","","90","","47325","3","100","","100","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C195.5 H248 N19 O67 Zr6 -","- C141.5 H122 N O49 Zr6 -","- C1132 H976 N8 O392 Zr48 -","8","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","MoKα","","0.0367","0.0326","","","0.0769","0.0783","","","","","","1.116","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562007","25.626","0.005","30.235","0.006","61.873","0.012","90","","90","","90","","47939","16","100","","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C135 H78 O40 Zr6 -","- C135 H78 O40 Zr6 -","- C1080 H624 O320 Zr48 -","8","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","synchrotron","","0.0622","0.047","","","0.1207","0.1272","","","","","","0.918","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562008","42.697","0.006","42.697","0.006","37.907","0.008","90","","90","","90","","69106","2","293","2","293","2","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C61 H42 O17 Zr3 -","- C61 H42 O17 Zr3 -","- C976 H672 O272 Zr48 -","16","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","MoKα","","0.1252","0.0616","","","0.156","0.2058","","","","","","0.979","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562009","38.1622","0.0009","38.1622","0.0009","45.5859","0.0015","90","","90","","120","","57495","3","173","2","173","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C135 H78 O60 P3 Zr9 -","- C135 H78 O60 P3 Zr9 -","- C810 H468 O360 P18 Zr54 -","6","0.5","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","1.54178","CuKα","","0.1096","0.0755","","","0.1676","0.1797","","","","","","1.026","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562010","45.122","0.006","45.122","0.006","49.238","0.01","90","","90","","120","","86818","2","173","2","173","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C182.67 H102 O60 P3 Zr9 -","- C183 H102 O60 P3 Zr9 -","- C1098 H612 O360 P18 Zr54 -","6","1","","Gong, Wei; Liu, Yan; Cui, Yong","Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons.","Faraday discussions","2021","231","0","168","180","10.1039/d1fd00014d","","","0.71073","MoKα","","0.1213","0.0872","","","0.2634","0.2897","","","","","","0.964","","","","has coordinates","270456","2021-11-06","20:11:42",""
"1562050","14.3083","0.0007","14.8135","0.0007","15.9556","0.0008","62.691","0.002","66.812","0.002","63.731","0.002","2616.3","0.2","240","2","240","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H114 B4 Co2 F8 Fe2 N36 O6 -","- C86 H114 B4 Co2 F8 Fe2 N36 O6 -","- C86 H114 B4 Co2 F8 Fe2 N36 O6 -","1","0.5","","Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake","Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes","The Journal of Physical Chemistry A","2021","","","","","10.1021/acs.jpca.1c02032","","","0.71073","MoKα","","0.1952","0.0734","","","0.1813","0.239","","","","","","1.004","","","","has coordinates","264491","2021-04-23","23:19:19",""
"1562051","13.2668","0.0004","13.3671","0.0004","16.934","0.0005","75.022","0.002","80.773","0.002","84.036","0.002","2857.34","0.15","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H98 B4 Co2 F8 Fe2 N36 O6 -","- C86 H98 B4 Co2 F8 Fe2 N36 O6 -","- C86 H98 B4 Co2 F8 Fe2 N36 O6 -","1","0.5","","Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake","Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes","The Journal of Physical Chemistry A","2021","","","","","10.1021/acs.jpca.1c02032","","","0.71073","MoKα","","0.2293","0.087","","","0.2044","0.2695","","","","","","0.944","","","","has coordinates","264492","2021-04-23","23:19:37",""
"1562052","13.476","0.0008","13.4982","0.0008","17.3464","0.0011","75.871","0.004","80.2","0.004","84.287","0.004","3009.7","0.3","280","2","280","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H98 B4 Co2 F8 Fe2 N36 O6 -","- C86 H98 B4 Co2 F8 Fe2 N36 O6 -","- C86 H98 B4 Co2 F8 Fe2 N36 O6 -","1","0.5","","Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake","Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes","The Journal of Physical Chemistry A","2021","","","","","10.1021/acs.jpca.1c02032","","","0.71073","MoKα","","0.2303","0.0765","","","0.1821","0.2447","","","","","","0.918","","","","has coordinates","264493","2021-04-23","23:19:51",""
"1562053","13.2612","0.0006","13.2975","0.0006","15.778","0.0007","88.404","0.003","70.475","0.002","82.323","0.003","2598.4","0.2","275","2","275","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H98 B4 Co2 F8 Fe2 N36 O6 -","- C78 H98 B4 Co2 F8 Fe2 N36 O6 -","- C78 H98 B4 Co2 F8 Fe2 N36 O6 -","1","0.5","","Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake","Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes","The Journal of Physical Chemistry A","2021","","","","","10.1021/acs.jpca.1c02032","","","0.71073","MoKα","","0.1094","0.0724","","","0.2092","0.2383","","","","","","1.037","","","","has coordinates","264494","2021-04-23","23:20:07",""
"1562054","13.1307","0.0006","13.1529","0.0006","15.5247","0.0007","88.755","0.003","70.514","0.003","82.435","0.003","2504.9","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H98 B4 Co2 F8 Fe2 N36 O6 -","- C78 H98 B4 Co2 F8 Fe2 N36 O6 -","- C78 H98 B4 Co2 F8 Fe2 N36 O6 -","1","0.5","","Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake","Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes","The Journal of Physical Chemistry A","2021","","","","","10.1021/acs.jpca.1c02032","","","0.71073","MoKα","","0.1357","0.0908","","","0.2418","0.2806","","","","","","1.035","","","","has coordinates","264495","2021-04-23","23:20:21",""
"1562055","14.1373","0.0004","14.8381","0.0004","15.844","0.0004","62.517","0.001","88.485","0.001","63.206","0.001","2561.82","0.13","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H114 B4 Co2 F8 Fe2 N36 O6 -","- C86 H114 B4 Co2 F8 Fe2 N36 O6 -","- C86 H114 B4 Co2 F8 Fe2 N36 O6 -","1","0.5","","Kamilya, Sujit; Ghosh, Subrata; Mehta, Sakshi; Mondal, Abhishake","Effect of Ligand Modulation on Metal-to-Metal Electron Transfer in a Series of [Fe2Co2] Molecular Square Complexes","The Journal of Physical Chemistry A","2021","","","","","10.1021/acs.jpca.1c02032","","","0.71073","MoKα","","0.1415","0.0636","","","0.1458","0.1831","","","","","","1.01","","","","has coordinates","264496","2021-04-23","23:20:39",""
"1562056","9.5944","0.0003","12.7606","0.0004","18.0312","0.0006","73.9951","0.0018","79.1246","0.0018","75.2203","0.0017","2035.09","0.12","150","2","150","2","","","","","","","","5","P 1","P 1","1","Quinine dihydrochloride monohydrate","4-[(5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-6-methoxyquinolin-1-ium dichloride hemihydrate","","- C40 H54 Cl4 N4 O5 -","- C40 H54 Cl4 N4 O5 -","- C80 H108 Cl8 N8 O10 -","2","2","BV4036","Anderson, Grace I.; Bellia, Sophia; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Quinine dihydrochloride hemihydrate","IUCrData","2021","6","4","x210406","","10.1107/S2414314621004065","","","0.71073","MoKα","","0.0552","0.0379","","","0.0826","0.0898","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","264502","2021-04-24","05:19:38",""
"1562057","9.2424","0.0003","8.7534","0.0003","15.2178","0.0004","90","","96.784","0.001","90","","1222.54","0.07","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 O5 S Si -","- C23 H30 O5 S Si -","- C46 H60 O10 S2 Si2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0244","0.024","","","0.0656","0.0659","","","","","","1.071","","","","has coordinates","268620","2021-09-06","10:02:30",""
"1562058","11.9751","0.0005","20.8149","0.0009","12.9319","0.0006","90","","106.231","0.001","90","","3094.9","0.2","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C49 H78 F9 N4 O17 S3 Y -","- C49 H78 F9 N4 O17 S3 Y -","- C98 H156 F18 N8 O34 S6 Y2 -","2","1","","Guan, Mingming; Wang, Shiyu; Luo, Yao; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric addition of thiols to silyl glyoxylates for synthesis of multi-hetero-atom substituted carbon stereocenters.","Chemical science","2021","12","21","7498","7503","10.1039/d1sc01096d","","","1.54178","CuKα","","0.0267","0.0265","","","0.0701","0.0702","","","","","","1.05","","","","has coordinates","268620","2021-09-06","10:02:31",""
"1562114","7.6479","0.0004","6.3464","0.0003","30.7977","0.0016","90","","94.502","0.002","90","","1490.2","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-Fluorouracil Ferulic Acid Hydrate","5-Fluoropyrimidine-2,4(1H,3H)-dione 3-(4-Hydroxy-3-methoxyphenyl)acrylic acid Hydrate","","- C14 H15 F N2 O7 -","- C14 H15 F N2 O7 -","- C56 H60 F4 N8 O28 -","4","1","","Yu, Yue-Ming; Niu, Yuan-Yuan; Wang, Ling-Yang; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Supramolecular self-assembly and perfected in vitro/vivo property of 5-fluorouracil and ferulic acid on the strength of double optimized strategy: the first 5-fluorouracial-phenolic acid nutraceutical cocrystal with synergistic antitumor efficacy","The Analyst","2021","146","8","2506","2519","10.1039/D1AN00171J","","","0.71073","MoKα","","0.0784","0.0451","","","0.0994","0.1123","","","","","","1.036","","","","has coordinates","264559","2021-04-27","00:06:31",""
"1562115","10.0914","0.0001","9.9851","0.0001","10.5204","0.0001","90","","92.72","0.001","90","","1058.88","0.018","123","2","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H21.53 N3 O7 P -","- C18 H21.53 N3 O7 P -","- C36 H43.06 N6 O14 P2 -","2","1","","Kaasik, Mikk; Martõnova, Jevgenija; Erkman, Kristin; Metsala, Andrus; Järving, Ivar; Kanger, Tõnis","Enantioselective Michael addition to vinyl phosphonates <i>via</i> hydrogen bond-enhanced halogen bond catalysis.","Chemical science","2021","12","21","7561","7568","10.1039/d1sc01029h","","x-ray","1.54184","CuKα","","0.0351","0.0351","","","0.094","0.094","","","","","","1.046","","","","has coordinates,has disorder","268625","2021-09-06","10:07:00",""
"1562116","26.3005","0.0016","46.071","0.003","30.4842","0.0018","90","","91.29","0.004","90","","36928","4","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C554 H856 B3 Cs3 F72 N109 O90.25 Si40 -","- C1108 H1712 B6 Cs6 F144 N218 O180.5 Si80 -","2","1","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.1252","0.1013","","","0.2578","0.2823","","","","","","1.04","","","","has coordinates,has disorder","268617","2021-09-06","09:56:25",""
"1562117","9.0849","0.0004","21.33","0.001","23.003","0.001","90","","90","","90","","4457.5","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N5 O5.5 -","- C20 H24 Cl N5 O5.5 -","- C160 H192 Cl8 N40 O44 -","8","2","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0276","0.026","","","0.0636","0.0647","","","","","","1.023","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562118","64.413","0.002","7.1861","0.0002","22.2867","0.0007","90","","99.221","0.001","90","","10182.7","0.5","115","2","115","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28.69 H47.76 N5 O4.94 Si2 -","- C28.6913 H47.7653 N5 O4.94133 Si2 -","- C344.296 H573.184 N60 O59.296 Si24 -","12","3","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0746","0.0646","","","0.1792","0.1909","","","","","","1.024","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562119","11.1651","0.0007","10.4907","0.0006","12.5832","0.0006","90","","94.045","0.006","90","","1470.2","0.14","99.95","0.13","99.95","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 B N3 O4 -","- C15 H16 B N3 O4 -","- C60 H64 B4 N12 O16 -","4","1","","Lin, Shengjia; Wang, Lucia; Sharma, Abhishek","Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations.","Chemical science","2021","12","22","7924","7929","10.1039/d1sc00905b","","x-ray","1.54184","CuKα","","0.0884","0.0531","","","0.0946","0.0991","","","","","","1.024","","","","has coordinates","268618","2021-09-06","09:57:52",""
"1562120","17.1144","0.0019","9.3148","0.0009","12.0484","0.0017","90","","94.91","0.011","90","","1913.7","0.4","292.9","0.5","292.9","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 B N3 O4 -","- C20 H18 B N3 O4 -","- C80 H72 B4 N12 O16 -","4","1","","Lin, Shengjia; Wang, Lucia; Sharma, Abhishek","Acrylic boronate: a multifunctional C3 building block for catalytic synthesis of rare organoborons and chemoselective heterobifunctional ligations.","Chemical science","2021","12","22","7924","7929","10.1039/d1sc00905b","","x-ray","1.54184","CuKα","","0.1838","0.0929","","","0.232","0.2818","","","","","","1.017","","","","has coordinates","268618","2021-09-06","09:57:52",""
"1562121","13.63","0.002","15.952","0.002","19.288","0.003","86.368","0.004","88.416","0.004","78.854","0.003","4105.8","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H102 Au2 Br N8 O4 -","- C82 H102 Au2 Br N8 O4 -","- C164 H204 Au4 Br2 N16 O8 -","2","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","","0.71073","MoKα","","0.0439","0.0387","","","0.1014","0.1048","","","","","","1.031","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562122","11.0894","0.0003","18.0488","0.0004","24.6597","0.0005","101.631","0.0018","93.6495","0.0019","101.64","0.002","4706.8","0.2","100.04","0.11","100.04","0.11","","","","","","","","7","P -1","-P 1","2","","","","- C43 H57 Au F6 N5 O2 P -","- C43 H57 Au F6 N5 O2 P -","- C172 H228 Au4 F24 N20 O8 P4 -","4","2","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0555","0.047","","","0.1219","0.1304","","","","","","1.025","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562123","11.3001","0.0003","50.4909","0.0013","17.6766","0.0004","90","","100.564","0.002","90","","9914.5","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H59 Au F6 N5 O2 P -","- C45 H59 Au F6 N5 O2 P -","- C360 H472 Au8 F48 N40 O16 P8 -","8","4","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0922","0.0615","","","0.1375","0.1499","","","","","","1.032","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562124","11.0621","0.0002","18.0164","0.0003","25.9531","0.0005","102.579","0.002","92.799","0.001","98.359","0.001","4977.26","0.16","100.04","0.11","100.04","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C95 H118 Au2 Cl2 F12 N12 O6 P2 -","- C95 H118 Au2 Cl2 F12 N12 O6 P2 -","- C190 H236 Au4 Cl4 F24 N24 O12 P4 -","2","1","","Sen, Sajal; Perrin, Mark W.; Sedgwick, Adam C.; Lynch, Vincent M.; Sessler, Jonathan L.; Arambula, Jonathan F.","Covalent and non-covalent albumin binding of Au(i) bis-NHCs <i>via</i> post-synthetic amide modification.","Chemical science","2021","12","21","7547","7553","10.1039/d1sc01055g","","x-ray","1.54184","CuKα","","0.0425","0.0364","","","0.0891","0.094","","","","","","1.047","","","","has coordinates,has disorder","268621","2021-09-06","10:05:17",""
"1562125","5.7583","0.0001","9.7431","0.0002","18.3135","0.0005","90","","94.058","0.001","90","","1024.88","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank","A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations .","Chemical Science","2021","","","","","10.1039/D1SC01014J","","","0.71073","MoKα","","0.0284","0.0276","","","0.0675","0.068","","","","","","1.043","","","","has coordinates","264565","2021-04-27","01:10:31",""
"1562126","8.1989","0.0004","8.4173","0.0004","8.8635","0.0004","68.933","0.002","76.834","0.002","65.982","0.002","519","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C24 H22 Cl2 O4 -","2","1","","Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank","A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations .","Chemical Science","2021","","","","","10.1039/D1SC01014J","","","0.71073","MoKα","","0.0446","0.039","","","0.0813","0.0838","","","","","","1.14","","","","has coordinates","264565","2021-04-27","01:10:32",""
"1562127","8.5302","0.0003","8.5648","0.0003","8.8272","0.0003","76.753","0.001","69.175","0.001","65.803","0.001","547.18","0.03","101","2","101","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Cl O2 -","- C13 H13 Cl O2 -","- C26 H26 Cl2 O4 -","2","1","","Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank","A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations .","Chemical Science","2021","","","","","10.1039/D1SC01014J","","","1.54178","CuKα","","0.0282","0.0271","","","0.0702","0.0711","","","","","","1.07","","","","has coordinates","264565","2021-04-27","01:10:32",""
"1562128","8.3537","0.0002","8.5198","0.0002","8.8355","0.0003","69.125","0.001","76.764","0.001","65.212","0.001","531.08","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C24 H22 Br2 O4 -","2","1","","Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank","A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations .","Chemical Science","2021","","","","","10.1039/D1SC01014J","","","0.71073","MoKα","","0.0165","0.0156","","","0.0373","0.0376","","","","","","1.05","","","","has coordinates","264565","2021-04-27","01:10:32",""
"1562129","5.8376","0.0001","9.7639","0.0002","18.2223","0.0004","90","","94.149","0.001","90","","1035.91","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank","A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations .","Chemical Science","2021","","","","","10.1039/D1SC01014J","","","1.54178","CuKα","","0.0255","0.0242","","","0.0582","0.0589","","","","","","1.126","","","","has coordinates","264565","2021-04-27","01:10:32",""
"1562130","8.5352","0.0002","8.6441","0.0002","8.8394","0.0002","77.597","0.001","69.818","0.001","67.081","0.001","561.35","0.02","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C26 H26 Br2 O4 -","2","1","","Van Lommel, Ruben; Bock, Jonathan; Daniliuc, Constantin; Hennecke, Ulrich; De Proft, Frank","A Dynamic Picture of the Halolactonization Reaction through a Combination of ab-initio Metadynamics and Experimental Investigations .","Chemical Science","2021","","","","","10.1039/D1SC01014J","","","0.71073","MoKα","","0.0261","0.0222","","","0.0482","0.0503","","","","","","1.046","","","","has coordinates","264565","2021-04-27","01:10:32",""
"1562166","6.256","0.0003","7.6732","0.0003","28.1296","0.0008","90","","90","","90","","1350.32","0.09","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0389","0.0343","","0.0947","0.0884","0.0943","","","","","","1.0021","","","","has coordinates","268622","2021-09-06","10:05:32",""
"1562167","7.5201","0.0002","6.1363","0.0002","29.1109","0.0007","90","","93.778","0.002","90","","1340.42","0.07","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H13 F O2 S -","- C16 H13 F O2 S -","- C64 H52 F4 O8 S4 -","4","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0318","0.0295","","0.0754","0.0734","0.0754","","","","","","1.0019","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562168","7.2283","0.0001","19.7499","0.0001","21.8837","0.0001","90","","90.439","0.0005","90","","3123.99","0.05","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C144 H128 O32 S8 -","8","2","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0298","0.0285","","0.0832","0.082","0.0832","","","","","","0.9991","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562169","6.1993","0.0001","22.8971","0.0003","27.5542","0.0003","90","","90","","90","","3911.21","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C192 H168 O24 S12 -","12","3","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0342","0.0314","","0.0824","0.0783","0.0824","","","","","","1.0069","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562170","5.9144","0.0001","16.5154","0.0002","14.7712","0.0002","90","","95.2702","0.0014","90","","1436.73","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O2 S -","- C17 H16 O2 S -","- C68 H64 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0308","0.0295","","0.082","0.0806","0.082","","","","","","1.0022","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562171","10.6905","0.0002","12.9017","0.0001","11.275","0.0001","90","","99.604","0.001","90","","1533.32","0.03","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.039","0.0372","","","0.1012","0.1026","","","","","","1.059","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562172","10.0882","0.0002","11.6472","0.0002","14.4851","0.0003","101.004","0.002","106.6","0.002","96.185","0.002","1577.07","0.06","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","4","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0361","0.0353","","","0.0928","0.0933","","","","","","1.068","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562173","8.7363","0.0001","7.5297","0.0001","13.3695","0.0002","90","","90.32","0.001","90","","879.45","0.02","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C40 H56 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0267","0.0266","","","0.0687","0.0688","","","","","","1.035","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562174","8.1066","0.0001","17.4846","0.0002","11.7095","0.0001","90","","90.935","0.001","90","","1659.49","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.044","0.0432","","","0.1165","0.1174","","","","","","1.052","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562175","6.8205","0.0002","17.9401","0.0003","6.9699","0.0002","90","","116.508","0.003","90","","763.18","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0391","0.0377","","","0.0997","0.1007","","","","","","1.026","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562176","8.0972","0.0001","7.0855","0.0001","13.1638","0.0002","90","","107.604","0.001","90","","719.875","0.018","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C32 H44 O8 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0268","0.0267","","","0.0708","0.0709","","","","","","1.025","","","","has coordinates","268624","2021-09-06","10:06:47",""
"1562177","11.3066","0.0001","8.3782","0.0001","20.2485","0.0002","90","","96.507","0.001","90","","1905.76","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H52 O8 -","- C46 H52 O8 -","- C92 H104 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0542","0.0527","","","0.1328","0.1344","","","","","","1.048","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562178","9.2554","0.0002","19.3711","0.0003","10.2742","0.0002","90","","115.9","0.002","90","","1657.02","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.1018","0.1025","","","","","","1.061","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562179","10.533","0.0001","32.5011","0.0002","12.4209","0.0001","90","","111.317","0.001","90","","3961.18","0.06","100.01","0.11","100.01","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C78 H43 F48 O8 -","- C78 H43 F48 O8 -","- C156 H86 F96 O16 -","2","1","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.046","0.0454","","","0.1127","0.1131","","","","","","1.024","","","","has coordinates,has disorder","268624","2021-09-06","10:06:47",""
"1562180","17.7407","0.0001","27.9256","0.0002","27.9774","0.0002","90","","90","","90","","13860.5","0.16","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67 H102 O4 -","- C67 H102 O4 -","- C536 H816 O32 -","8","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1007","0.1029","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562181","9.5057","0.0004","29.3757","0.0017","16.5679","0.0008","90","","96.127","0.002","90","","4599.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole","","- C30 H19 I N2 -","- C30 H19 I N2 -","- C240 H152 I8 N16 -","8","2","HB4376","Yan, Dan","9-[3-(9<i>H</i>-Carbazol-9-yl)-5-iodophenyl]-9<i>H</i>-carbazole","IUCrData","2021","6","4","x210428","","10.1107/S2414314621004284","","","0.71073","MoKα","","0.0526","0.0386","","","0.0823","0.0879","","","","","","1.044","","","","has coordinates,has Fobs","264620","2021-04-28","05:38:32",""
"1562223","15.4163","0.0005","15.5079","0.0007","15.5847","0.0005","61.591","0.004","67.904","0.003","61.997","0.004","2837","0.2","99.98","0.14","99.98","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C100 H46 Ag12 Au F36 N13 -","- C100 H46 Ag12 Au F36 N13 -","- C100 H46 Ag12 Au F36 N13 -","1","0.5","","Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan","Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c00621","","x-ray","1.54184","CuKα","","0.0504","0.0459","","","0.1279","0.1314","","","","","","1.059","","","","has coordinates,has disorder","264649","2021-04-28","23:20:11",""
"1562224","15.3601","0.0009","15.6093","0.0009","15.6475","0.0011","62.885","0.006","67.963","0.006","61.886","0.006","2883.2","0.4","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C94 H38 Ag12.4 Au0.6 F44 N13 -","- C94 H38 Ag12.4 Au0.6 F44 N12 -","- C94 H38 Ag12.4 Au0.6 F44 N12 -","1","0.5","","Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan","Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c00621","","x-ray","1.54184","CuKα","","0.112","0.106","","","0.2975","0.3028","","","","","","1.086","","","","has coordinates,has disorder","264649","2021-04-28","23:20:12",""
"1562225","15.21283","0.00019","16.46205","0.00018","27.06694","0.00016","86.2278","0.0007","87.0958","0.0007","64.9064","0.0012","6123.47","0.12","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C228 H170 Ag24.4 Au1.6 F72 N26 O17 -","- C216 H136 Ag24.4 Au1.6 F72 N24 O16 -","- C216 H136 Ag24.4 Au1.6 F72 N24 O16 -","1","0.5","","Zheng, Ji; Wang, Jia-Nan; Wang, Ting; Wu, Kun; Wei, Rong-Jia; Lu, Weigang; Li, Dan","Phosphorescent Metal Rotaxane-like Bimetallic Ag/Au Clusters","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c00621","","x-ray","1.54184","CuKα","","0.0781","0.0688","","","0.1906","0.1947","","","","","","1.055","","","","has coordinates,has disorder","264649","2021-04-28","23:20:12",""
"1562226","10.1636","0.0012","11.2723","0.0015","20.036","0.005","79.592","0.008","86.479","0.007","65.966","0.004","2061.8","0.6","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H57 Au Cl3 F6 N P Sb -","- C37 H57 Au Cl3 F6 N P Sb -","- C74 H114 Au2 Cl6 F12 N2 P2 Sb2 -","2","1","","Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier","Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand","Chemical Science","2021","","","","","10.1039/D1SC01483H","","","0.71073","MoKα","","0.047","0.0329","","","0.0704","0.0758","","","","","","1.016","","","","has coordinates,has disorder","264654","2021-04-29","00:59:39",""
"1562227","10.3795","0.0008","11.7433","0.001","16.0874","0.0013","80.093","0.003","77.477","0.003","65.482","0.003","1734.2","0.2","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H44 Au Cl2 F6 N P Sb -","- C30.5 H44 Au Cl2 F6 N P Sb -","- C61 H88 Au2 Cl4 F12 N2 P2 Sb2 -","2","1","","Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier","Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand","Chemical Science","2021","","","","","10.1039/D1SC01483H","","","0.71073","MoKα","","0.077","0.0582","","","0.1438","0.1531","","","","","","1.091","","","","has coordinates,has disorder","264654","2021-04-29","00:59:43",""
"1562228","29.91","0.004","9.8604","0.0014","28.71","0.004","90","","119.225","0.004","90","","7389.5","1.8","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H45 Au Cl F6 N P Sb -","- C36 H45 Au Cl F6 N P Sb -","- C288 H360 Au8 Cl8 F48 N8 P8 Sb8 -","8","1","","Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier","Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand","Chemical Science","2021","","","","","10.1039/D1SC01483H","","","0.71073","MoKα","","0.0657","0.0573","","","0.1355","0.1384","","","","","","1.257","","","","has coordinates,has disorder","264654","2021-04-29","00:59:54",""
"1562229","10.1052","0.0009","14.6709","0.0012","14.9416","0.0012","109.75","0.003","101.005","0.003","104.616","0.003","1922.4","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C33 H47 Au Cl F6 N O2 P Sb -","- C33 H47 Au Cl F6 N O2 P Sb -","- C66 H94 Au2 Cl2 F12 N2 O4 P2 Sb2 -","2","1","","Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier","Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand","Chemical Science","2021","","","","","10.1039/D1SC01483H","","","0.71073","MoKα","","0.0833","0.0525","","","0.1244","0.1385","","","","","","1.052","","","","has coordinates,has disorder","264654","2021-04-29","00:59:54",""
"1562230","9.7524","0.0011","25.856","0.003","14.5514","0.0017","90","","106.77","0.003","90","","3513.2","0.7","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Au Cl F6 N O2 P Sb -","- C33 H47 Au Cl F6 N O2 P Sb -","- C132 H188 Au4 Cl4 F24 N4 O8 P4 Sb4 -","4","1","","Rodriguez, Jessica; Tabey, Alexis; Ladeira, Sonia; Bourissou, Didier","Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed vinylation reactions triggered by the MeDalphos Ligand","Chemical Science","2021","","","","","10.1039/D1SC01483H","","","0.71073","MoKα","","0.0796","0.0395","","","0.0686","0.0805","","","","","","1.03","","","","has coordinates,has disorder","264654","2021-04-29","00:59:54",""
"1562231","13.2525","0.0009","18.3533","0.0012","15.0527","0.0009","90","","96.635","0.002","90","","3636.7","0.4","100","","100","","","","","","","","see text","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl2 F3 N8 O3 S Zn -","- C35 H35 Cl2 F3 N8 O3 S Zn -","- C140 H140 Cl8 F12 N32 O12 S4 Zn4 -","4","1","","Lauenstein, Raphael; Mader, Sophie L.; Derondeau, Henrieta; Esezobor, Oaikhena Z.; Block, Matthias; Römer, Armin J; Jandl, Christian; Riedle, Eberhard; Kaila, Ville R. I.; Hauer, Jürgen; Thyrhaug, Erling; Hess, Corinna R.","The central role of the metal ion for photoactivity: Zn- <i>vs.</i> Ni-Mabiq.","Chemical science","2021","12","21","7521","7532","10.1039/d0sc06096h","","x-ray","0.71073","MoKα","","0.0397","0.0309","","","0.0702","0.0742","","","","","","1.03","","","","has coordinates,has disorder","268623","2021-09-06","10:06:02",""
"1562232","9.954","0.002","14.826","0.003","15.404","0.003","90","","94.53","0.03","90","","2266.2","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O5 S -","- C25 H27 N O5 S -","- C100 H108 N4 O20 S4 -","4","2","","Bin, Huai-Yu; Cheng, Li; Wu, Xiong; Zhu, Chang-Liang; Yang, Xiao-Hui; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Exocyclic γ,δ-Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution","Chemical Science","2021","","","","","10.1039/D1SC02044G","","","0.71073","MoKα","","0.0568","0.0465","","","0.1097","0.1169","","","","","","0.994","","","","has coordinates","264656","2021-04-29","01:01:22",""
"1562233","8.2258","0.0001","11.1904","0.0001","14.7228","0.0001","90","","90","","90","","1355.23","0.02","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Bin, Huai-Yu; Cheng, Li; Wu, Xiong; Zhu, Chang-Liang; Yang, Xiao-Hui; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Exocyclic γ,δ-Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution","Chemical Science","2021","","","","","10.1039/D1SC02044G","","","1.54184","CuKα","","0.0355","0.034","","","0.0912","0.0924","","","","","","1.064","","","","has coordinates,has disorder","264656","2021-04-29","01:01:22",""
"1562234","10.4741","0.0001","10.4866","0.0001","13.7315","0.0001","90","","99.081","0.001","90","","1489.33","0.02","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","2","","Tak, Raj K.; Amemiya, Fuyuki; Noda, Hidetoshi; Shibasaki, Masakatsu","Generation and application of Cu-bound alkyl nitrene for the catalyst-controlled synthesis of cyclic β-amino acids","Chemical Science","2021","","","","","10.1039/D1SC01419F","","x-ray","1.54184","CuKα","","0.0292","0.0287","","","0.0743","0.0746","","","","","","1.038","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562235","12.9562","0.0005","14.7057","0.0005","21.804","0.0003","96.529","0.002","97.374","0.003","110.822","0.003","3793.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C97 H80 Cl2 O8 -","- C97 H82 Cl2 O8 -","- C194 H164 Cl4 O16 -","2","1","","Nogami, Juntaro; Nagashima, Yuki; Miyamoto, Kazunori; Muranaka, Atsuya; Uchiyama, Masanobu; Tanaka, Ken","Asymmetric Synthesis, Structures, and Chiroptical Properties of Helical Cycloparaphenylenes","Chemical Science","2021","","","","","10.1039/D1SC00861G","","x-ray","1.54184","CuKα","","0.1335","0.1189","","","0.3223","0.3345","","","","","","1.067","","","","has coordinates","264658","2021-04-29","01:02:19",""
"1562236","11.241","0.0006","13.279","0.0007","18.002","0.001","86.469","0.002","75.801","0.002","81.052","0.002","2572.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H29 In2 N O12 -","- C44 H29 In2 N O12 -","- C88 H58 In4 N2 O24 -","2","1","","Jindal, Swati; Anjum, Gulshan; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Mechanoluminescence and aggregation-enhanced emission (AEE) of an In-MOF based on a 9,9'-diphenyl-9<i>H</i>-fluorene tetraacid linker.","Nanoscale","2021","13","21","9668","9677","10.1039/d1nr00898f","","x-ray","0.71073","MoKα","","0.0738","0.0523","","","0.1428","0.1591","","","","","","0.978","","","","has coordinates","266119","2021-06-05","19:13:10",""
"1562291","9.3794","0.001","13.2922","0.0004","8.5672","0.0007","90","","90","","90","","1068.1","0.15","293","2","293","2","","","110000","","","","","6","P n m a","-P 2ac 2n","62","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H12 Mn N2 O6 P3 -","- C4 H48 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0465","0.0404","","","0.1125","0.1192","","","","","","1.109","","","","has coordinates,has disorder","264708","2021-04-29","23:26:35",""
"1562292","9.1707","0.0009","13.1949","0.0008","8.3574","0.0007","90","","90","","90","","1011.3","0.14","293","2","293","2","","","890000","","","","","6","P n m a","-P 2ac 2n","62","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H14 Mn N2 O6 P3 -","- C4 H56 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0601","0.0529","","","0.1452","0.1591","","","","","","1.194","","","","has coordinates","264708","2021-04-29","23:26:36",""
"1562293","7.4791","0.0014","12.9833","0.0011","10.0993","0.0012","90","","90","","90","","980.7","0.2","293","2","293","2","","","1160000","","","","","6","P n m a","-P 2ac 2n","62","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H12 Mn N2 O6 P3 -","- C4 H48 Mn4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0667","0.0489","","","0.1207","0.1288","","","","","","1.074","","","","has coordinates,has disorder","264708","2021-04-29","23:26:36",""
"1562294","10.2348","0.0011","7.272","0.002","12.6997","0.0008","90","","92.533","0.006","90","","944.3","0.3","293","2","293","2","","","1370000","","","","","6","P 1 21/n 1","-P 2yn","14","HMyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0659","0.0468","","","0.1113","0.1286","","","","","","1.093","","","","has coordinates","264708","2021-04-29","23:26:36",""
"1562295","10.2099","0.0014","7.229","0.002","12.6741","0.0009","90","","92.643","0.007","90","","934.4","0.3","293","2","293","2","","","1660000","","","","","6","P 1 21/n 1","-P 2yn","14","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0909","0.0798","","","0.2262","0.246","","","","","","1.122","","","","has coordinates","264708","2021-04-29","23:26:36",""
"1562296","10.1672","0.0009","7.163","0.0016","12.6123","0.0007","90","","92.749","0.004","90","","917.5","0.2","293","2","293","2","","","2260000","","","","","6","P 1 21/n 1","-P 2yn","14","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.0486","0.0382","","","0.0988","0.104","","","","","","1.124","","","","has coordinates","264708","2021-04-29","23:26:36",""
"1562297","10.115","0.002","7.088","0.006","12.613","0.002","90","","93.298","0.014","90","","902.8","0.8","293","2","293","2","","","2920000","","","","","6","P 1 21/n 1","-P 2yn","14","MHyMnPO2","","","- C H13 Mn N2 O6 P3 -","- C H13 Mn N2 O6 P3 -","- C4 H52 Mn4 N8 O24 P12 -","4","1","","Mączka, Mirosław; Sobczak, Szymon; Kryś, Mikołaj; Leite, Fabio Furtado; Paraguassu, Waldeci; Katrusiak, Andrzej","Mechanism of Pressure-Induced Phase Transitions and Structure‒Property Relations in Methylhydrazinium Manganese Hypophosphite Perovskites","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c01998","","","0.71073","MoKα","","0.1688","0.1178","","","0.3123","0.371","","","","","","1.392","","","","has coordinates","264708","2021-04-29","23:26:36",""
"1562298","17.998","0.0005","9.6252","0.0002","20.8083","0.0005","90","","90","","90","","3604.71","0.15","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","1","","Pooler, Daisy Rose Sherwood; Pierron, Robin; Crespi, Stefano; Costil, Romain; Pfeifer, Lukas; Léonard, Jérémie; Olivucci, Massimo; Feringa, Ben L.","Effect of charge-transfer enhancement on the efficiency and rotary mechanism of an oxindole-based molecular motor","Chemical Science","2021","","","","","10.1039/D1SC01105G","","","1.54178","CuKα","","0.0518","0.039","","","0.0926","0.1005","","","","","","1.031","","","","has coordinates","264709","2021-04-30","00:59:42",""
"1562299","10.4749","0.0002","16.5319","0.0004","23.0359","0.0007","90","","93.007","0.001","90","","3983.63","0.17","90","0.2","90","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H39 Au Cl2 N2 O2 P2 -","- C44 H39 Au Cl2 N2 O2 P2 -","- C176 H156 Au4 Cl8 N8 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0371","0.0249","","","0.0419","0.0451","","","","","","1.035","","","","has coordinates,has disorder","268626","2021-09-06","10:08:14",""
"1562300","12.0282","0.0006","16.7453","0.0008","20.3891","0.0011","97.253","0.002","95.135","0.002","90.405","0.002","4056.8","0.4","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Au Cl2 N O P2 -","- C42 H32 Au Cl2 N O P2 -","- C168 H128 Au4 Cl8 N4 O4 P8 -","4","2","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0727","0.0529","","","0.155","0.1696","","","","","","1.058","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562301","10.4667","0.0002","16.4519","0.0004","23.6049","0.0006","90","","96.182","0.001","90","","4041.06","0.16","90","0.2","90","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Au Cl2 N2 P2 -","- C41 H33 Au Cl2 N2 P2 -","- C164 H132 Au4 Cl8 N8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0207","0.018","","","0.0402","0.0409","","","","","","1.087","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562302","13.5131","0.0003","16.8347","0.0004","18.5104","0.0004","90","","90","","90","","4210.91","0.16","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Au Cl2 N O2 P2 -","- C44 H42 Au Cl2 N O2 P2 -","- C176 H168 Au4 Cl8 N4 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0245","0.0214","","","0.0454","0.0465","","","","","","1.073","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562339","10.56998","0.00005","10.56998","0.00005","56.6723","0.0003","90","","90","","120","","5483.4","0.05","293","2","294.15","","","","","","","","","3","P 61","P 61","169","","","","- C40 H52 O11 -","- C40 H52 O11 -","- C240 H312 O66 -","6","1","","Zhang, Dong-Li; Li, Min; Han, Gui-Fang; Li, Shao-Yong; Jin, De-Jun; Tang, Sheng-An","Longipetalol A: A Highly Modified Triterpenoid from <i>Dichapetalum longipetalum</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00068","","x-ray","1.54184","CuKα","","0.0363","0.0361","","","0.1023","0.1025","","","","","","1.053","","","","has coordinates,has disorder","264736","2021-04-30","23:33:29",""
"1562340","20.1518","0.0004","24.0064","0.0004","25.2448","0.0005","61.645","0.002","89.9897","0.0018","82.7479","0.0016","10636.5","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C210 H177 Au23 F12 N12 Sb2 -","- C210 H177 Au23 F12 N12 Sb2 -","- C420 H354 Au46 F24 N24 Sb4 -","2","1","","Hirano, Koto; Takano, Shinjiro; Tsukuda, Tatsuya","Ligand Effects on the Structures of [Au23L6(C≡CPh)9]2+ (L = N-Heterocyclic Carbene vs Phosphine) with Au17 Superatomic Cores","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c02197","","","1.54184","CuKα","","0.0885","0.0668","","","0.18","0.1955","","","","","","1.057","","","","has coordinates,has disorder","264737","2021-04-30","23:59:08",""
"1562341","13.4396","0.0003","17.7067","0.0003","25.0094","0.0005","80.0596","0.0015","88.3887","0.0015","71.629","0.0016","5561.2","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 K N2 O24 Si6 U2 -","- C72 H162 K N2 O24 Si6 U2 -","- C144 H324 K2 N4 O48 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","0.71073","MoKα","","0.0689","0.0461","","","0.1071","0.1173","","","","","","1.036","","","","has coordinates,has disorder","264743","2021-05-01","01:46:37",""
"1562342","14.34057","0.00014","17.69858","0.00018","22.05","0.00018","90","","91.5214","0.0008","90","","5594.49","0.09","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H184 N2 O26 Si6 U2 -","- C80 H184 N2 O26 Si6 U2 -","- C160 H368 N4 O52 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","1.54184","CuKα","","0.0393","0.0382","","","0.094","0.0949","","","","","","1.022","","","","has coordinates,has disorder","264743","2021-05-01","01:46:37",""
"1562343","14.1108","0.0003","17.5538","0.0003","22.2467","0.0004","90","","91.4964","0.0017","90","","5508.59","0.18","140","0.1","140","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76 H170 N2 O25 Si6 U2 -","- C76 H170 N2 O25 Si6 U2 -","- C152 H340 N4 O50 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","0.71073","MoKα","","0.0782","0.0697","","","0.1877","0.1974","","","","","","1.014","","","","has coordinates","264743","2021-05-01","01:46:38",""
"1562344","13.9014","0.0003","18.1586","0.0005","22.0984","0.0005","90","","92.822","0.002","90","","5571.5","0.2","140","0.1","140","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C72 H162 I K2 N2 O24 Si6 U2 -","- C72 H162 I1.002 K2 N2.004 O24 Si6 U2 -","- C144 H324 I2.004 K4 N4.008 O48 Si12 U4 -","2","1","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","1.54184","CuKα","","0.057","0.0481","","","0.12","0.1274","","","","","","1.043","","","","has coordinates,has disorder","264743","2021-05-01","01:46:38",""
"1562345","24.6881","0.0003","14.15493","0.00012","38.5283","0.0004","90","","107.29","0.0011","90","","12855.6","0.2","140","0.1","140","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H97 Cl O14 Si3 U -","- C44 H97 Cl O14 Si3 U -","- C352 H776 Cl8 O112 Si24 U8 -","8","2","","Barluzzi, Luciano; Hsueh, Fang-Che; Scopelliti, Rosario; Atkinson, Benjamin E.; Kaltsoyannis, Nikolas; Mazzanti, Marinella","Synthesis, Structure, and Reactivity of Uranium(VI) Nitrides","Chemical Science","2021","","","","","10.1039/D1SC01796A","","x-ray","0.71073","MoKα","","0.0522","0.0455","","","0.0972","0.0997","","","","","","1.057","","","","has coordinates,has disorder","264743","2021-05-01","01:46:38",""
"1562346","8.2294","0.0004","8.4573","0.0005","14.0115","0.0007","90","","93.974","0.004","90","","972.83","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol","","- C20 H36 N2 O2 -","- C20 H36 N2 O2 -","- C40 H72 N4 O4 -","2","0.5","HB4382","Schmitt, Volker; Holzmann, Gideon; Schollmeyer, Dieter; Detert, Heiner","[2,5-Bis(dipropylamino)-4-(hydroxymethyl)phenyl]methanol","IUCrData","2021","6","4","x210443","","10.1107/S2414314621004430","","","0.71073","MoKα","","0.0519","0.0431","","","0.1046","0.1119","","","","","","1.048","","","","has coordinates,has Fobs","264757","2021-05-01","06:15:40",""
"1562347","24.152","0.004","9.2708","0.0016","6.9096","0.0011","90","","94.898","0.005","90","","1541.5","0.4","100","","100","","","","","","","","","3","C 1 2 1","C 2y","5","","NATPP0083","","- C34 H42 O12 -","- C34 H42 O12 -","- C68 H84 O24 -","2","0.5","","Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama","Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>.","Journal of natural products","2021","84","4","1149","1162","10.1021/acs.jnatprod.0c01212","","x-ray","1.54178","CuKα","K-L~3~","0.031","0.0308","","","0.0924","0.0926","","","","","","1.14","","","","has coordinates","264807","2021-05-03","22:58:57",""
"1562348","11.938","0.003","12.782","0.003","12.925","0.003","118.386","0.007","92.327","0.009","114.237","0.008","1512.3","0.7","100","","100","","","","","","","","","3","P 1","P 1","1","","NATPP0097","","- C33.5 H40 O11.5 -","- C33.5 H40 O11.5 -","- C67 H80 O23 -","2","2","","Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama","Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>.","Journal of natural products","2021","84","4","1149","1162","10.1021/acs.jnatprod.0c01212","","x-ray","1.54178","CuKα","K-L~3~","0.0455","0.0448","","","0.1312","0.1323","","","","","","1.038","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562349","15.9907","0.0002","11.3667","0.0001","15.9469","0.0002","90","","114.149","0.001","90","","2644.87","0.06","173","2","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","2","","Jin, Pengfei; Zhan, Guanqun; Zheng, Guijuan; Liu, Junjun; Peng, Xiang; Huang, Lang; Gao, Biao; Yuan, Xinghua; Yao, Guangmin","Gelstriamine A, a Triamino Monoterpene Indole Alkaloid with a Caged 6/5/7/6/6/5 Scaffold and Analgesic Alkaloids from <i>Gelsemium elegans</i> Stems.","Journal of natural products","2021","84","4","1326","1334","10.1021/acs.jnatprod.1c00062","","","1.54178","CuKα","","0.038","0.0362","","","0.0871","0.0884","","","","","","1.032","","","","has coordinates","264809","2021-05-03","22:59:36",""
"1562350","8.7654","0.0004","12.6378","0.0006","15.3841","0.0007","90","","90","","90","","1704.18","0.14","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C76 H112 O20 -","4","1","","Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang","Penitol A and Penicitols E-I: Citrinin Derivatives from <i>Penicillium citrinum</i> and the Structure Revision of Previously Proposed Analogues.","Journal of natural products","2021","84","4","1345","1352","10.1021/acs.jnatprod.1c00082","","","1.54178","CuKα","","0.0302","0.0292","","","0.0756","0.0765","","","","","","1.048","","","","has coordinates","264810","2021-05-03","22:59:59",""
"1562351","10.3283","0.0004","9.4323","0.0004","17.9581","0.0008","90","","90.172","0.002","90","","1749.46","0.13","150","2","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H56 O10 -","- C38 H56 O10 -","- C76 H112 O20 -","2","1","","Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang","Penitol A and Penicitols E-I: Citrinin Derivatives from <i>Penicillium citrinum</i> and the Structure Revision of Previously Proposed Analogues.","Journal of natural products","2021","84","4","1345","1352","10.1021/acs.jnatprod.1c00082","","","1.54178","CuKα","","0.0599","0.0548","","","0.1511","0.1567","","","","","","1.03","","","","has coordinates,has disorder","264811","2021-05-03","23:00:20",""
"1562352","12.736","0.0007","5.824","0.0003","22.5026","0.0013","90","","90","","90","","1669.12","0.16","173","2","173.01","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H16 F6 O2 -","- C18 H16 F6 O2 -","- C72 H64 F24 O8 -","4","0.5","","Lv, Jinghuang; Chen, Si; Xu, Zhenchuang; Zhang, Siquan; Li, Ya; Zhao, Yanchuan","Synthesis and Characterization of Diastereoisomeric Polyesters Derived from Bisphenols Bearing Vicinal Trifluoromethyl Groups","Macromolecules","2021","54","8","3716","3724","10.1021/acs.macromol.0c02762","","","1.34139","GaKα","","0.1165","0.0945","","","0.2571","0.286","","","","","","1.062","","","","has coordinates","264812","2021-05-04","00:32:25",""
"1562353","14.5082","0.0004","20.329","0.0006","37.5089","0.0012","90","","97.29","0.004","90","","10973.3","0.6","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H75 Cl N4 -","- C62.5 H75 Cl N4 -","- C500 H600 Cl8 N32 -","8","2","","Man, Zhongwei; Cui, Hongtu; Lv, Zheng; Xu, Zhenzhen; Wu, Zhaoyang; Wu, Yishi; Liao, Qing; Liu, Meihui; Xi, Peng; Zheng, Lemin; Fu, Hongbing","Organic Nanoparticles-Assisted Low-Power STED Nanoscopy.","Nano letters","2021","21","8","3487","3494","10.1021/acs.nanolett.1c00161","","x-ray","1.54184","CuKα","","0.1158","0.0932","","","0.2633","0.2919","","","","","","1.049","","","","has coordinates","264813","2021-05-04","00:45:01",""
"1562354","10.0808","0.0007","24.277","0.0015","25.8121","0.0019","90","","90","","90","","6317","0.7","93.15","","93.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H62 N2 O14 Si10 -","- C56 H62 N2 O14 Si10 -","- C224 H248 N8 O56 Si40 -","4","1","","Ishida, Ayano; Fujii, Shunichi; Sumida, Akifumi; Kamitani, Tasuku; Minami, Saori; Urayama, Kenji; Imoto, Hiroaki; Naka, Kensuke","Supramolecular organogel formation behaviors of beads-on-string shaped poly(azomethine)s dependent on POSS structures in the main chains","Polymer Chemistry","2021","12","21","3169","3176","10.1039/D1PY00346A","","","0.71073","MoKα","","0.1318","0.0671","","","0.1545","0.1875","","","","","","1.013","","","","has coordinates,has disorder","266181","2021-06-05","19:33:04",""
"1562355","15.1086","0.0014","19.8115","0.0017","19.2127","0.0016","90","","93.602","0.002","90","","5739.5","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59.25 H54.5 Br2 Cl2.5 N2 Ni -","- C59.25 H54.5 Br2 Cl2.5 N2 Ni -","- C237 H218 Br8 Cl10 N8 Ni4 -","4","1","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.1506","0.0697","","","0.2153","0.2354","","","","","","1.083","","","","has coordinates","267253","2021-07-05","18:18:34",""
"1562356","12.976","0.0011","19.5971","0.0017","23.93","0.002","90","","96.867","0.002","90","","6041.6","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H53 Cl N2 Pd -","- C71 H53 Cl N2 Pd -","- C284 H212 Cl4 N8 Pd4 -","4","0.5","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.1074","0.0674","","","0.167","0.1812","","","","","","1.039","","","","has coordinates,has disorder","267253","2021-07-05","18:18:35",""
"1562357","15.86","0.0016","16.3701","0.0017","18.8102","0.0019","90","","106.03","0.004","90","","4693.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H51 Cl N2 Pd -","- C59 H51 Cl N2 Pd -","- C236 H204 Cl4 N8 Pd4 -","4","1","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.2442","0.1034","","","0.1724","0.2036","","","","","","1.039","","","","has coordinates,has disorder","267253","2021-07-05","18:18:35",""
"1562358","17.6855","0.0016","19.5147","0.0018","21.7741","0.0019","66.138","0.001","87.031","0.003","70.111","0.002","6430.3","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H52 Br2 N2 Ni -","- C70 H52 Br2 N2 Ni -","- C280 H208 Br8 N8 Ni4 -","4","2","","Dai, Shengyu; Li, Gen; Lu, Weiqing; Liao, Yudan; Fan, Weigang","Suppression of chain transfer via a restricted rotation effect of dibenzosuberyl substituents in polymerization catalysis","Polymer Chemistry","2021","12","22","3240","3249","10.1039/D1PY00333J","","","0.71073","MoKα","","0.2212","0.1169","","","0.2321","0.2475","","","","","","1.165","","","","has coordinates","267253","2021-07-05","18:18:35",""
"1562359","7.9631","0.0003","10.0144","0.0004","11.2341","0.0005","100.421","0.002","95.385","0.002","106.067","0.002","836.8","0.06","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl6 N2 O2 Sb -","- C32 H28 Cl6 N2 O2 Sb -","- C32 H28 Cl6 N2 O2 Sb -","1","0.5","","Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M.","Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4726","4738","10.1021/acs.macromol.1c00640","","","0.71073","MoKα","","0.0461","0.0327","","","0.0704","0.075","","","","","","1.002","","","","has coordinates","265768","2021-06-04","01:06:20",""
"1562360","11.6418","0.0005","18.8802","0.0007","18.9143","0.0007","90","","91.686","0.002","90","","4155.6","0.3","99.97","","99.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46.5 H32 Cl7 N O Sb -","- C46.5 H32 Cl7 N O Sb -","- C186 H128 Cl28 N4 O4 Sb4 -","4","1","","Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M.","Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4726","4738","10.1021/acs.macromol.1c00640","","","0.71073","MoKα","","0.099","0.065","","","0.1344","0.152","","","","","","1.185","","","","has coordinates,has disorder","265768","2021-06-04","01:06:22",""
"1562361","7.73","0.0006","10.3469","0.0009","16.7221","0.0014","78.825","0.003","77.881","0.003","83.304","0.003","1278.83","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 Br3 F6 N2 -","- C26 H16 Br3 F6 N2 -","- C52 H32 Br6 F12 N4 -","2","1","","Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M.","Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4507","4516","10.1021/acs.macromol.1c00501","","","0.71073","MoKα","","0.0834","0.0712","","","0.1867","0.1961","","","","","","1.049","","","","has coordinates,has disorder","265769","2021-06-04","01:06:31",""
"1562362","6.5181","0.0006","14.7409","0.0012","16.2314","0.0013","114.08","0.004","93.91","0.004","102.462","0.004","1368.8","0.2","104","2","104","2","","","","","","","","5","P -1","-P 1","2","JC-1-93","","","- C66 H56 F6 N2 O8 -","- C66 H56 F6 N2 O8 -","- C66 H56 F6 N2 O8 -","1","0.5","","Corbin, Daniel A.; Puffer, Katherine O.; Chism, Katherine A.; Cole, Justin P.; Theriot, Jordan C.; McCarthy, Blaine G.; Buss, Bonnie L.; Lim, Chern-Hooi; Lincoln, Sarah R.; Newell, Brian S.; Miyake, Garret M.","Radical Addition to N,N-Diaryl Dihydrophenazine Photoredox Catalysts and Implications in Photoinduced Organocatalyzed Atom Transfer Radical Polymerization","Macromolecules","2021","54","10","4507","4516","10.1021/acs.macromol.1c00501","","","0.71073","MoKα","","0.1041","0.0568","","","0.131","0.1563","","","","","","1.014","","","","has coordinates","265769","2021-06-04","01:06:31",""
"1562363","10.5345","0.0001","9.9038","0.0001","12.7437","0.0001","90","","104.117","0.0004","90","","1289.42","0.02","0","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O2 -","- C30 H30 Br N O2 -","- C60 H60 Br2 N2 O4 -","2","1","","Marfo-OWUSU, Emmanuel; THOMPSON, Amber L.","The Crystal Structure of an Inclusion Complex of Benzyltrimethylammonium Bromide with (<i>R</i>)-(+)-1,1′-binaphthalene-2,2′-diol","X-ray Structure Analysis Online","2021","37","0","19","20","10.2116/xraystruct.37.19","","","0.71073","MoKα","","0.0532","0.0383","","0.0583","0.049","0.0465","","","","","","1.0868","","","","has coordinates","264970","2021-05-05","09:11:30",""
"1562364","18.351","0.004","17.574","0.004","4.5721","0.0009","90","","90","","90","","1474.5","0.5","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","SUDA, Shintaro; ONAMI, Yuika; HARAGUCHI, Tomoyuki; AKITSU, Takashiro","Orthorhombic Polymorphism of 4-(2-Phenyldiazenyl)-2-[(phenylimino)methyl]phenol","X-ray Structure Analysis Online","2021","37","0","17","18","10.2116/xraystruct.37.17","","","0.71073","MoKα","","0.0882","0.0757","","","0.2283","0.2379","","","","","","1.079","","","","has coordinates","264971","2021-05-05","09:12:01",""
"1562365","15.5471","0.0019","14.3403","0.0017","11.7315","0.0015","90","","90","","90","","2615.5","0.6","301","2","301","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- B K1.78 Na1.22 O14 Si4 U -","- B K1.776 Na1.224 O14 Si4 U -","- B8 K14.208 Na9.792 O112 Si32 U8 -","8","0.5","","Pace, Kristen A.; Klepov, Vladislav V.; Smith, Mark D.; Williams, Travis; Morrison, Gregory; Lauterbach, Jochen A.; Misture, Scott T.; zur Loye, Hans-Conrad","Hydrothermal Synthesis and Structural Investigation of a Crystalline Uranyl Borosilicate","Inorganics","2021","9","4","25","","10.3390/inorganics9040025","","","0.71073","MoKα","","0.0376","0.0356","","","0.0678","0.0686","","","","","","1.251","","","","has coordinates","264973","2021-05-05","16:53:27",""
"1562366","8.431","0.003","35.524","0.014","13.404","0.005","90","","99.315","0.004","90","","3962","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H34 F6 N7 O4.5 P Ru -","- C40.5 H34 F6 N7 O4.5 P Ru -","- C162 H136 F24 N28 O18 P4 Ru4 -","4","1","","Shiga, Takuya; Tachibana, Minami; Oshio, Hiroki; Nihei, Masayuki","Synthesis of a Ru(II) Complex with a Naphthoquinone-Annelated Imidazole Ligand Exhibiting Proton-Responsive Redox and Luminescent Behavior","Inorganics","2021","9","4","24","","10.3390/inorganics9040024","","","0.71073","MoKα","","0.1512","0.0773","","","0.1962","0.2437","","","","","","1.032","","","","has coordinates","264974","2021-05-05","16:53:55",""
"1562367","7.208","0.002","7.208","0.002","23.094","0.007","90","","90","","90","","1199.9","0.6","93","","93","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- C5 H12 N2 -","- C5 H12 N2 -","- C40 H96 N16 -","8","0.5","","Aitken, R. Alan; Sonecha, Dheirya K.; Slawin, Alexandra M. Z.","Homopiperazine (Hexahydro-1,4-diazepine)","Molbank","2021","2021","2","M1200","","10.3390/M1200","","","0.71075","MoKα","","0.0649","0.0637","","","0.1633","0.1641","","","","","","1.137","","","","has coordinates","264976","2021-05-06","00:15:19",""
"1562368","7.878","0.0006","3.9147","0.0004","15.6886","0.0014","90","","102.569","0.007","90","","472.24","0.07","163","","163","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.0624","0.0452","","","0.1146","0.1295","","","","","","1.054","","","","has coordinates","264977","2021-05-06","00:55:20",""
"1562369","7.8846","0.0008","3.9372","0.0005","15.754","0.002","90","","102.594","0.012","90","","477.29","0.1","208","","208","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.1259","0.0554","","","0.0911","0.1103","","","","","","0.89","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562370","7.8868","0.001","3.9718","0.0005","15.822","0.002","90","","102.719","0.013","90","","483.46","0.11","283","","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.12","0.0572","","","0.1209","0.1616","","","","","","1.005","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562371","7.8876","0.0007","3.9434","0.0004","15.7578","0.0019","90","","102.624","0.011","90","","478.28","0.09","223","","223","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.0904","0.0533","","","0.1138","0.1367","","","","","","1.01","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562372","7.8728","0.0007","3.9608","0.0005","15.7845","0.0019","90","","102.664","0.009","90","","480.23","0.1","268","","268","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.1077","0.0547","","","0.1249","0.1601","","","","","","1.003","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562373","7.8758","0.0008","3.9534","0.0005","15.7573","0.0016","90","","102.653","0.01","90","","478.71","0.09","253","","253","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.0956","0.0551","","","0.123","0.1554","","","","","","1.022","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562374","7.8702","0.0009","3.9302","0.0006","15.732","0.002","90","","102.573","0.012","90","","474.94","0.11","193","","193","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.0841","0.052","","","0.1191","0.1411","","","","","","0.995","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562375","7.8662","0.0004","3.966","0.0003","15.7823","0.0011","90","","102.696","0.006","90","","480.33","0.06","298","","298","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.0724","0.0467","","","0.1153","0.1374","","","","","","1.046","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562376","7.8729","0.0008","3.9195","0.0005","15.7126","0.0018","90","","102.604","0.01","90","","473.17","0.1","178","","178","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.0773","0.0512","","","0.123","0.1443","","","","","","1.008","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562377","7.8864","0.0007","3.9488","0.0005","15.774","0.002","90","","102.624","0.01","90","","479.36","0.1","238","","238","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Hu, Yajing; Yao, Yang-Rong; Liu, Xuechen; Yu, Ao; Xie, Xiao-Ming; Abella, Laura; Rodriguez-Fortea, Antonio; Poblet, Josep M.; Akasaka, Takeshi; Peng, Ping; Zhang, Qianyan; Xie, Su-Yuan; Li, Fang-Fang; Lu, Xing","Unexpected Formation of 1,2- and 1,4-Bismethoxyl Sc3N@Ih-C80 Derivatives via Regioselective Anion Addition: Unambiguous Structural Identification and Mechanism Study","Chemical Science","2021","","","","","10.1039/D1SC01178B","","","0.71073","MoKα","","0.08","0.0489","","","0.1093","0.1304","","","","","","1.036","","","","has coordinates","264977","2021-05-06","00:55:21",""
"1562378","16.6691","0.001","10.8205","0.0005","20.3333","0.0013","90","","112.297","0.007","90","","3393.3","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Butyl-2-phenyl-1-tosyl-4-((triisopropylsilyl)oxy)-1,2-dihydrobenzofuro [3,2-b]pyridine","","- C37 H47 N O4 S Si -","- C37 H47 N O4 S Si -","- C148 H188 N4 O16 S4 Si4 -","4","1","","Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei","An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles","Chemical Science","2021","","","","","10.1039/D1SC00941A","","x-ray","1.54184","CuKα","","0.0726","0.0624","","","0.1655","0.1728","","","","","","1.002","","","","has coordinates,has disorder","264978","2021-05-06","00:56:10",""
"1562379","10.7086","0.0004","10.8936","0.0005","11.8325","0.0006","78.43","0.004","66.115","0.004","79.274","0.003","1227.96","0.1","100.02","0.1","100.02","0.1","","","","","","","","6","P -1","-P 1","2","","Trans-3-Butyl-3-chloro-2-(4-chlorophenyl)-1-tosyl-2,3-dihydrobenzofuro [3,2-b]pyridin-4(1H)-one","","- C28 H25 Cl2 N O4 S -","- C28 H25 Cl2 N O4 S -","- C56 H50 Cl4 N2 O8 S2 -","2","1","","Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei","An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles","Chemical Science","2021","","","","","10.1039/D1SC00941A","","x-ray","1.54184","CuKα","","0.031","0.0284","","","0.0725","0.0747","","","","","","1.043","","","","has coordinates","264978","2021-05-06","00:56:11",""
"1562380","10.7962","0.0005","10.9702","0.0004","11.8384","0.0005","78.442","0.004","65.815","0.004","79.502","0.004","1245.21","0.1","99.97","0.16","99.97","0.16","","","","","","","","7","P -1","-P 1","2","","Trans-3-Bromo-3-butyl-2-(4-chlorophenyl)-1-tosyl-2,3-dihydrobenzofuro [3,2-b]pyridin-4(1H)-one","","- C28 H25 Br Cl N O4 S -","- C28 H25 Br Cl N O4 S -","- C56 H50 Br2 Cl2 N2 O8 S2 -","2","1","","Feng, Qiang; Wu, An; Zhang, Xinhao; Song, Lijuan; Sun, Jianwei","An Unusual Formal Migrative Cycloaddition of Aurone-derived Azadienes: Synthesis of Benzofuran-fused Nitrogen Heterocycles","Chemical Science","2021","","","","","10.1039/D1SC00941A","","x-ray","1.54184","CuKα","","0.0242","0.0229","","","0.058","0.0588","","","","","","1.036","","","","has coordinates","264978","2021-05-06","00:56:11",""
"1562381","5.34558","0.00006","5.55762","0.00007","7.87444","0.00007","90","","90.2851","0.0007","90","","233.936","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Lu Mn Na O6 W -","- Lu Mn Na O6 W -","- Lu2 Mn2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","12.3278","10.431","","","","","","","has coordinates","265759","2021-06-04","01:03:15",""
"1562382","5.30219","0.00008","5.50632","0.00008","7.76771","0.00011","90","","90.2633","0.0013","90","","226.78","0.006","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Lu Na O6 W -","- Co Lu Na O6 W -","- Co2 Lu2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","6.3328","3.8787","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562383","5.32174","0.00003","5.51366","0.00003","7.77534","0.00003","90","","90.2722","0.0004","90","","228.144","0.002","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 Tm W -","- Co Na O6 Tm W -","- Co2 Na2 O12 Tm2 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","9.2904","4.8644","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562384","5.31027","0.00006","5.51156","0.00007","7.7711","0.00007","90","","90.2794","0.0007","90","","227.441","0.004","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Na O6 W Yb -","- Co Na O6 W Yb -","- Co2 Na2 O12 W2 Yb2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","13.469","5.5987","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562385","5.33407","0.00002","5.51959","0.00002","7.78263","0.00002","90","","90.2676","0.0003","90","","229.133","0.0013","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Co Er Na O6 W -","- Co Er Na O6 W -","- Co2 Er2 Na2 O12 W2 -","2","1","","P N, Ravi Shankar; Panda, Debendra Prasad; Sundaresan, Athinarayanan","Switchable and Nonswitchable Polarization in Doubly Ordered Perovskites NaLnCoWO6 (Ln = Er, Tm, Yb, and Lu)","The Journal of Physical Chemistry C","2021","125","19","10803","10809","10.1021/acs.jpcc.1c02316","powder diffraction","","1.5406","'CuKα'","","","","","","","","","7.455","3.1487","","","","","","","has coordinates","265759","2021-06-04","01:03:16",""
"1562386","9.5536","0.0001","10.5647","0.0001","15.067","0.0001","90","","90","","90","","1520.73","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O3 -","- C15 H20 Cl N O3 -","- C60 H80 Cl4 N4 O12 -","4","1","","Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang","Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines","Chemical Science","2021","","","","","10.1039/D1SC01337H","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0586","0.0587","","","","","","1.0359","","","","has coordinates","265009","2021-05-07","01:21:03",""
"1562387","13.7139","0.0001","14.6929","0.0001","20.8028","0.0001","90","","90","","90","","4191.7","0.05","100.3","0.7","100.3","0.7","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N O3 P S -","- C42 H68 N O3 P S -","- C168 H272 N4 O12 P4 S4 -","4","1","","Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang","Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines","Chemical Science","2021","","","","","10.1039/D1SC01337H","","x-ray","1.54184","CuKα","","0.0338","0.033","","","0.0822","0.0827","","","","","","1.039","","","","has coordinates","265009","2021-05-07","01:21:03",""
"1562388","20.0965","0.0008","5.88104","0.00018","26.5867","0.001","90","","98.87","0.004","90","","3104.7","0.2","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 N3 O6 S -","- C31 H31 N3 O6 S -","- C124 H124 N12 O24 S4 -","4","1","","Pirenne, Vincent; Robert, Emma G. L.; Waser, Jerome","Catalytic (3+2) Annulation of Donor-Acceptor Aminocyclopropane Monoesters and Indoles","Chemical Science","2021","","","","","10.1039/D1SC01127H","","x-ray","1.54184","CuKα","","0.078","0.0753","","","0.1829","0.1849","","","","","","1.074","","","","has coordinates,has disorder","265010","2021-05-07","01:21:50",""
"1562389","6.3612","0.00009","23.6708","0.0004","15.8181","0.0002","90","","91.6343","0.0014","90","","2380.84","0.06","140.01","0.1","140.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 N2 O4 S -","- C26 H32 N2 O4 S -","- C104 H128 N8 O16 S4 -","4","1","","Pirenne, Vincent; Robert, Emma G. L.; Waser, Jerome","Catalytic (3+2) Annulation of Donor-Acceptor Aminocyclopropane Monoesters and Indoles","Chemical Science","2021","","","","","10.1039/D1SC01127H","","x-ray","1.54184","CuKα","","0.0414","0.0347","","","0.088","0.0928","","","","","","1.032","","","","has coordinates","265010","2021-05-07","01:21:51",""
"1562390","9.5762","0.0004","10.0978","0.0005","10.1439","0.0003","87.983","0.003","78.962","0.003","69.485","0.004","901.15","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 F6 O6 S2 -","- C16 H10 F6 O6 S2 -","- C32 H20 F12 O12 S4 -","2","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.033","0.0312","","","0.0842","0.086","","","","","","1.053","","","","has coordinates","265012","2021-05-07","01:25:31",""
"1562391","5.4457","0.0005","9.7022","0.001","17.3622","0.0008","84.758","0.006","87.356","0.007","74.878","0.009","881.63","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 F6 O6 S2 -","- C16 H8 F6 O6 S2 -","- C32 H16 F12 O12 S4 -","2","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.0769","0.0614","","","0.1619","0.1782","","","","","","1.016","","","","has coordinates,has disorder","265012","2021-05-07","01:25:32",""
"1562392","10.1399","0.0008","11.8036","0.0011","12.2024","0.0011","104.246","0.004","90.62","0.005","111.016","0.005","1313.5","0.2","100","0.1","100","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C39.5 H24 -","- C39.5 H24 -","- C79 H48 -","2","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","","0.71073","MoKα","","0.1116","0.0624","","","0.1315","0.1564","","","","","","1.022","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562393","10.03642","0.00005","20.42255","0.00009","12.53918","0.00008","90","","111.752","0.0007","90","","2387.14","0.02","100.01","0.1","100.01","0.1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H20 -","- C36 H20 -","- C144 H80 -","4","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.0377","0.037","","","0.0988","0.0994","","","","","","1.043","","","","has coordinates","265012","2021-05-07","01:25:33",""
"1562394","14.4537","0.0008","14.7536","0.0006","20.5177","0.0007","100.327","0.003","98.165","0.004","99.886","0.004","4172.5","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C105 H89 B4 N4 -","- C105 H89 B4 N4 -","- C210 H178 B8 N8 -","2","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.1035","0.0598","","","0.1279","0.1475","","","","","","0.931","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562395","11.1578","0.0003","11.0555","0.0003","17.2821","0.0004","90","","98.594","0.002","90","","2107.9","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C54 H50 O4 -","- C54 H50 O4 -","- C108 H100 O8 -","2","0.5","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","0.71073","MoKα","","0.0548","0.0477","","","0.1392","0.1452","","","","","","1.073","","","","has coordinates","265012","2021-05-07","01:25:33",""
"1562396","11.74087","0.00005","32.1637","0.00014","9.77293","0.00005","90","","90","","90","","3690.55","0.03","100","0.1","100","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","2","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.026","0.0256","","","0.0675","0.0681","","","","","","1.032","","","","has coordinates","265012","2021-05-07","01:25:33",""
"1562397","14.0002","0.0004","40.895","0.0012","17.3331","0.0006","90","","91.677","0.003","90","","9919.6","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C104 H76 B4 N4 -","- C104 H76 B4 N4 -","- C416 H304 B16 N16 -","4","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.1196","0.0871","","","0.2509","0.2793","","","","","","1.051","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562398","19.2454","0.0007","28.1544","0.0012","29.7705","0.001","90","","90","","90","","16130.9","1.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C95.25 H84.87 B4 N9.62 -","- C95.248 H84.872 B4 N9.624 -","- C761.984 H678.976 B32 N76.992 -","8","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.1349","0.0687","","","0.1662","0.2177","","","","","","1.011","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562399","23.0669","0.0004","22.8536","0.0004","15.375","0.0004","90","","90","","90","","8105.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C87.33 H78.66 B4 Cl6.66 N8 -","- C87.33 H78.66 B4 Cl6.66 N8 -","- C349.32 H314.64 B16 Cl26.64 N32 -","4","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.0724","0.0605","","","0.1554","0.1723","","","","","","1.063","","","","has coordinates,has disorder","265012","2021-05-07","01:25:33",""
"1562400","26.4901","0.0004","26.4901","0.0004","44.94","0.0011","90","","90","","90","","31535.5","1","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C84 H76 B4 N10 -","- C84 H76 B4 N10 -","- C1344 H1216 B64 N160 -","16","1","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","1.54184","CuKα","","0.1095","0.075","","","0.1677","0.1949","","","","","","1.023","","","","has coordinates","265012","2021-05-07","01:25:33",""
"1562401","9.8376","0.0005","11.0362","0.0007","11.1225","0.0006","89.252","0.005","66.881","0.005","74.852","0.005","1066.53","0.12","100","0.1","99.95","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C52 H52 O5 -","- C48 H44 O4 -","- C48 H44 O4 -","1","0.5","","Niermeier, Philipp; Maibom, Kristina; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Georg; Mitzel, Norbert Werner","Hydrogen-Bond-Induced Selectivity of a Head-to-Head Photo- Dimerization of Dialkynylanthracene ‒ Access to Tetra Lewis Acids","Chemical Science","2021","","","","","10.1039/D1SC02065J","","x-ray","0.71073","MoKα","","0.0659","0.0509","","","0.1234","0.1321","","","","","","1.043","","","","has coordinates","265012","2021-05-07","01:25:34",""
"1562402","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2035","0.1738","","","0.4564","0.4704","","","","","","1.66","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562403","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2192","0.1784","","","0.4033","0.4232","","","","","","1.95","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562404","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2109","0.1816","","","0.458","0.473","","","","","","1.582","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562405","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2041","0.178","","","0.4564","0.4719","","","","","","1.595","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562406","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.1809","0.1502","","","0.4058","0.4266","","","","","","1.504","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562407","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2133","0.1792","","","0.4562","0.4763","","","","","","1.54","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562408","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2114","0.1815","","","0.4467","0.4718","","","","","","1.482","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562409","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.1927","0.1726","","","0.4634","0.4749","","","","","","1.719","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562410","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2013","0.1695","","","0.4391","0.4632","","","","","","1.49","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562411","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.2499","0.1813","","","0.4451","0.471","","","","","","1.568","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562412","13.654","0.0019","14.936","0.003","14.311","0.002","90","","118.162","0.011","90","","2573","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 N5 O0.5 Zn1.5 -","- C10 N5 O0.5 Zn1.5 -","- C80 N40 O4 Zn12 -","8","2","","Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao","On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks.","Faraday discussions","2021","231","0","66","80","10.1039/d1fd00020a","","","0.0251","electron","","0.193","0.1528","","","0.4052","0.4297","","","","","","1.415","","","","has coordinates","270454","2021-11-06","20:10:51",""
"1562413","12.5382","0.0011","7.5215","0.0007","15.2868","0.0019","90","","94.455","0.009","90","","1437.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","methyl 3-(p-tolylsulfonylamino)thiophene-2-carboxylate","","- C13 H13 N O4 S2 -","- C13 H13 N O4 S2 -","- C52 H52 N4 O16 S8 -","4","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54178","CuKα","","0.0729","0.0616","","","0.1678","0.1807","","","","","","1.069","","","","has coordinates","270453","2021-11-06","20:10:37",""
"1562414","19.992","0.006","12.091","0.0017","30.161","0.006","90","","96.166","0.016","90","","7248","3","293","2","293","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","Methyl 4-[[(4-methylphenyl)sulfonyl]amino][2,2'-bithiophene]-5-carboxylate","","- C17 H15 N O4 S3 -","- C17 H15 N O4 S3 -","- C272 H240 N16 O64 S48 -","16","2","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0586","0.0497","","","0.1348","0.1434","","","","","","1.032","","","","has coordinates","270453","2021-11-06","20:10:37",""
"1562415","5.968","0.003","7.371","0.003","24.21","0.005","90","","94.51","0.02","90","","1061.7","0.7","293","2","293","2","","","","","","","","4","I 1 a 1","I -2ya","9","","Methyl 4-(2-thienyl)benzoate","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0432","0.0419","","","0.1232","0.1251","","","","","","1.079","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562416","14.212","0.003","6.005","0.001","23.945","0.003","90","","90","","90","","2043.5","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","methyl-2,2'-bithienyl-5-carboxylate","","- C10 H8 O2 S2 -","- C10 H8 O2 S2 -","- C80 H64 O16 S16 -","8","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0481","0.0458","","","0.1266","0.1294","","","","","","1.071","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562417","20.4772","0.0013","12.4117","0.0008","7.2775","0.0008","90","","96.438","0.007","90","","1838","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-bithiophene-5-carboxylic acid","","- C9 H6 O2 S2 -","- C9 H6 O2 S2 -","- C72 H48 O16 S16 -","8","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.042","0.0403","","","0.1118","0.1141","","","","","","1.071","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562418","5.802","0.0006","8.7244","0.001","15.004","0.0019","90","","90","","90","","759.49","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z-3-chloro-3-(2-thienyl)-2-propenenitrile","","- C7 H4 Cl N S -","- C7 H4 Cl N S -","- C28 H16 Cl4 N4 S4 -","4","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0544","0.051","","","0.159","0.1673","","","","","","1.085","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562419","9.6146","0.0005","16.2601","0.0008","18.3252","0.0009","110.783","0.005","90.71","0.004","101.904","0.004","2609.4","0.2","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H29 N O2 -","- C36 H29 N O2 -","- C144 H116 N4 O8 -","4","2","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","0.71073","MoKα","","0.2122","0.0656","","","0.1038","0.1542","","","","","","0.939","","","","has coordinates","268969","2021-09-06","12:42:20",""
"1562420","9.25345","0.00019","34.5061","0.0006","8.13039","0.00016","90","","106.251","0.002","90","","2492.31","0.09","296.82","0.11","296.82","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N O2 -","- C35 H27 N O2 -","- C140 H108 N4 O8 -","4","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0694","0.0623","","","0.1669","0.1755","","","","","","1.054","","","","has coordinates","268969","2021-09-06","12:42:21",""
"1562421","9.7712","0.00017","15.2854","0.0002","16.9918","0.0003","90","","100.166","0.0016","90","","2498","0.07","296.1","0.8","296.1","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0767","0.0665","","","0.1888","0.2083","","","","","","1.047","","","","has coordinates","268969","2021-09-06","12:42:21",""
"1562422","9.2312","0.0005","10.2169","0.0007","14.6844","0.0008","76.439","0.005","87.971","0.005","67.26","0.006","1239.33","0.14","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H27 N O2 -","- C35 H27 N O2 -","- C70 H54 N2 O4 -","2","1","","Ran, You; Yang, Ge; Liu, Yang; Han, Weiguo; Gao, Ge; Su, Rongchuan; Bin, Zhengyang; You, Jingsong","A methyl-shield strategy enables efficient blue thermally activated delayed fluorescence hosts for high-performance fluorescent OLEDs","Materials Horizons","2021","8","7","2025","2031","10.1039/D1MH00530H","","x-ray","1.54184","CuKα","","0.0696","0.0584","","","0.1517","0.1664","","","","","","1.04","","","","has coordinates","268969","2021-09-06","12:42:21",""
"1562423","18.8533","0.0006","7.0067","0.0002","21.3135","0.0007","90","","98.186","0.001","90","","2786.81","0.15","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H42 O10 -","- C29 H42 O10 -","- C116 H168 O40 -","4","2","","Stierle, Andrea A.; Stierle, Donald B.; Decato, Daniel; Alverson, Jeremy; Apedaile, Lily","Cryptic Biosynthesis of the Berkeleypenostatins from Coculture of Extremophilic <i>Penicillium</i> sp.","Journal of natural products","2021","84","5","1656","1665","10.1021/acs.jnatprod.1c00248","","x-ray","1.54178","CuKα","","0.041","0.0342","","","0.0794","0.0831","","","","","","1.059","","","","has coordinates","265756","2021-06-04","01:01:03",""
"1562424","10.2734","0.0003","14.333","0.0006","21.7148","0.0006","90","","99.339","0.001","90","","3155.09","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cr N O4 P2 -","- C37 H27 Cr N O4 P2 -","- C148 H108 Cr4 N4 O16 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0668","0.0445","","","0.0903","0.1017","","","","","","1.042","","","","has coordinates","268492","2021-09-06","08:48:08",""
"1562425","13.8938","0.0013","14.4588","0.0013","18.342","0.0017","74.4602","0.0014","84.135","0.0014","83.5214","0.0014","3517.3","0.6","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H111 Na O12 Si6 Th -","- C57 H111 Na O12 Si6 Th -","- C114 H222 Na2 O24 Si12 Th2 -","2","1","","Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J.","Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States","Chemical Science","2021","","","","","10.1039/D1SC01906F","","","0.71073","MoKα","","0.0608","0.0479","","","0.1153","0.1218","","","","","","1.044","","","","has coordinates,has disorder","265047","2021-05-08","00:56:10",""
"1562426","18.737","0.004","18.571","0.004","16.803","0.003","90","","90.149","0.003","90","","5847","2","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 K O6 Si2 -","- C23 H45 K O6 Si2 -","- C184 H360 K8 O48 Si16 -","8","2","","Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J.","Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States","Chemical Science","2021","","","","","10.1039/D1SC01906F","","","0.71073","MoKα","","0.0964","0.05","","","0.0872","0.0996","","","","","","1.01","","","","has coordinates,has disorder","265047","2021-05-08","00:56:11",""
"1562427","12.1953","0.0008","12.7501","0.0008","22.2212","0.0014","100.671","0.001","104.376","0.0009","95.7421","0.001","3250.2","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 Cs N2 O6 Si6 Th -","- C51 H99 Cs N2 O6 Si6 Th -","- C102 H198 Cs2 N4 O12 Si12 Th2 -","2","1","","Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J.","Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States","Chemical Science","2021","","","","","10.1039/D1SC01906F","","","0.71073","MoKα","","0.0556","0.0382","","","0.0809","0.0866","","","","","","1.024","","","","has coordinates","265047","2021-05-08","00:56:11",""
"1562428","12.1971","0.0013","12.7473","0.0013","22.242","0.002","100.665","0.0013","104.473","0.0013","95.734","0.0013","3251.6","0.6","88","2","88","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H99 N2 O6 Rb Si6 Th -","- C51 H99 N2 O6 Rb Si6 Th -","- C102 H198 N4 O12 Rb2 Si12 Th2 -","2","1","","Wedal, Justin C.; Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.; Evans, William J.","Electrochemical Studies of Tris(cyclopentadienyl) Thorium and Uranium Complexes in the +2, +3, and +4 Oxidation States","Chemical Science","2021","","","","","10.1039/D1SC01906F","","","0.71073","MoKα","","0.0256","0.0212","","","0.0462","0.0475","","","","","","1.019","","","","has coordinates","265047","2021-05-08","00:56:11",""
"1562429","9.961","0.0008","8.9243","0.0007","9.7204","0.0007","90","","106.943","0.003","90","","826.59","0.11","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","","- C15 H14 Co F6 N2 P -","- C15 H14 Co F6 N2 P -","- C30 H28 Co2 F12 N4 P2 -","2","1","BV4038","Menia, Daniel; Höfer, Thomas; Wurst, Klaus; Bildstein, Benno","(Cobaltoceniumylamido)pyridinium hexafluoridophosphate","IUCrData","2021","6","5","","","10.1107/S2414314621004600","","","0.71073","MoKα","","0.0456","0.0373","","","0.0896","0.0932","","","","","","1.045","","","","has coordinates,has Fobs","265057","2021-05-08","07:53:47",""
"1562460","18.388","0.003","11.1669","0.0016","22.459","0.003","90","","94.007","0.005","90","","4600.4","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B4 N16 Th -","- C36 H48 B4 N16 Th -","- C144 H192 B16 N64 Th4 -","4","1","","DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M.","Actinide tetra-N-heterocyclic carbene ‘sandwiches’","Chemical Science","2021","","","","","10.1039/D1SC01007G","","","0.71073","MoKα","","0.0206","0.0186","","","0.0461","0.047","","","","","","1.043","","","","has coordinates","265076","2021-05-11","00:58:09",""
"1562461","14.118","0.002","20.636","0.003","37.423","0.006","90","","90","","90","","10903","3","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","((BMe2,EtTCH)2)U","","","- C40 H56 B4 N16 U -","- C40 H56 B4 N16 U -","- C320 H448 B32 N128 U8 -","8","0.25","","DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M.","Actinide tetra-N-heterocyclic carbene ‘sandwiches’","Chemical Science","2021","","","","","10.1039/D1SC01007G","","","0.71073","MoKα","","0.0549","0.0435","","","0.099","0.1032","","","","","","1.039","","","","has coordinates","265076","2021-05-11","00:58:09",""
"1562462","18.5705","0.0002","11.3097","0.0001","21.6322","0.0003","90","","94.305","0.001","90","","4530.52","0.09","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B4 N16 U -","- C36 H48 B4 N16 U -","- C144 H192 B16 N64 U4 -","4","1","","DeJesus, Joseph F.; Kerr, Ryan W. F.; Penchoff, Deborah A.; Carroll, Xian B.; Peterson, Charles C.; Arnold, Polly L.; Jenkins, David M.","Actinide tetra-N-heterocyclic carbene ‘sandwiches’","Chemical Science","2021","","","","","10.1039/D1SC01007G","","","0.71073","MoKα","","0.0365","0.0263","","","0.0525","0.0553","","","","","","1.052","","","","has coordinates","265076","2021-05-11","00:58:10",""
"1562463","8.9857","0.0002","10.0171","0.0002","11.6679","0.0002","66.192","0.001","82.839","0.001","66.429","0.001","879.85","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","BL-1-012","","","- C17 H25 N3 O3 -","- C17 H25 N3 O3 -","- C34 H50 N6 O6 -","2","1","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","1.54178","CuKα","","0.0775","0.0691","","","0.2121","0.225","","","","","","1.076","","","","has coordinates,has disorder","265077","2021-05-11","00:59:36",""
"1562464","6.0726","0.0003","9.9182","0.0005","26.154","0.0012","90","","93.362","0.0015","90","","1572.53","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CD-1-120","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","2","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","0.71073","MoKα","","0.0569","0.0419","","","0.0823","0.0882","","","","","","1.026","","","","has coordinates","265077","2021-05-11","00:59:36",""
"1562465","5.0586","0.0008","27.489","0.004","10.9711","0.0017","90","","90.664","0.004","90","","1525.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CD-2-020","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C64 H84 N12 O8 -","4","1","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","0.71073","MoKα","","0.0964","0.0754","","","0.1741","0.1829","","","","","","1.186","","","","has coordinates","265077","2021-05-11","00:59:36",""
"1562466","5.0802","0.0002","11.6666","0.0005","14.355","0.0006","101.704","0.0013","95.1179","0.0012","98.2498","0.0011","818.32","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C34 H46 N6 O6 -","2","1","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","1.54178","CuKα","","0.0447","0.0414","","","0.1061","0.1091","","","","","","1.046","","","","has coordinates","265077","2021-05-11","00:59:37",""
"1562467","6.1398","0.0002","9.9741","0.0003","28.544","0.0009","90","","95.15","0.001","90","","1740.95","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BL-1-016","","","- C17 H22 F3 N3 O2 -","- C17 H22 F3 N3 O2 -","- C68 H88 F12 N12 O8 -","4","1","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","1.54178","CuKα","","0.0383","0.0374","","","0.0915","0.0923","","","","","","1.042","","","","has coordinates","265077","2021-05-11","00:59:37",""
"1562468","5.1066","0.0001","10.9857","0.0002","15.6081","0.0003","105.298","0.001","96.929","0.001","91.011","0.001","837.29","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BL-1-021","","","- C17 H20 F3 N3 O2 -","- C17 H20 F3 N3 O2 -","- C34 H40 F6 N6 O4 -","2","1","","Davern, Carolynn M.; Lowe, Brandon D.; Rosfi, Adam; Ison, Elon A.; Proulx, Caroline","Submonomer Synthesis of Peptoids Containing trans-inducing N-imino- and N-alkylamino-glycines","Chemical Science","2021","","","","","10.1039/D1SC00717C","","","1.54178","CuKα","","0.0424","0.0368","","","0.0938","0.0984","","","","","","1.043","","","","has coordinates","265077","2021-05-11","00:59:37",""
"1562505","11.4373","0.0002","9.2045","0.0001","13.9862","0.0002","90","","112.03","0.002","90","","1364.89","0.04","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)-2<i>H</i>-chromen-2-one","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","ZL4043","Mamadrakhimov, Azimjon; Mutalliyev, Luqmonjon; Abdullaev, Sirojiddin; Khodjaniyazov, Khamid; Izotova, Lidiya; Aisa, Haji Akber","8-Hydroxy-6-methoxy-7-(3-methylbut-2-enyloxy)coumarin (capensine)","IUCrData","2021","6","5","x210451","","10.1107/S241431462100451X","","","1.54184","CuKα","","0.0459","0.0442","","","0.1272","0.129","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","265130","2021-05-12","05:00:09",""
"1562538","8.0711","0.0002","9.6743","0.0003","22.7439","0.0007","90","","90","","90","","1775.89","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0548","0.0406","","","0.1127","0.1181","","","","","","1.007","","","","has coordinates","265755","2021-06-04","01:00:54",""
"1562539","9.622","","13.246","","13.922","","90","","90","","90","","1774.4","","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0455","0.0441","","","0.126","0.1279","","","","","","1.027","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562540","14.195","0.0011","8.5829","0.0004","15.3489","0.001","90","","108.801","0.008","90","","1770.2","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","2","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54184","CuKα","","0.0703","0.0595","","","0.1577","0.1884","","","","","","1.151","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562541","10.1197","0.0002","13.3423","0.0002","14.0083","0.0002","90","","90","","90","","1891.4","0.05","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0381","0.0377","","","0.1044","0.105","","","","","","1.057","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562542","9.8531","0.0002","10.0264","0.0001","11.2177","0.0002","96.693","0.001","102.932","0.002","106.655","0.002","1015.23","0.03","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C42 H64 O12 -","2","2","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54184","CuKα","","0.0385","0.0368","","","0.1025","0.1042","","","","","","1.065","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562543","7.447","0.002","9.642","0.002","23.098","0.005","90","","90","","90","","1658.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0334","0.0299","","","0.0784","0.0811","","","","","","1.081","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562544","10.3562","0.0006","10.6612","0.0006","19.9903","0.0011","90","","90","","90","","2207.1","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","1","","Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.","Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>.","Journal of natural products","2021","84","5","1453","1458","10.1021/acs.jnatprod.0c01141","","x-ray","1.54178","CuKα","","0.0288","0.0288","","","0.0787","0.0787","","","","","","1.067","","","","has coordinates","265758","2021-06-04","01:02:16",""
"1562545","7.1585","0.0003","16.5713","0.0008","10.8248","0.0004","90","","102.657","0.002","90","","1252.89","0.09","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H38 O10 -","- C27 H38 O10 -","- C54 H76 O20 -","2","1","","Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.","Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>.","Journal of natural products","2021","84","5","1453","1458","10.1021/acs.jnatprod.0c01141","","x-ray","1.54178","CuKα","","0.025","0.025","","","0.0697","0.0698","","","","","","1.044","","","","has coordinates","265758","2021-06-04","01:02:16",""
"1562546","12.1262","0.0008","14.4026","0.0007","13.3342","0.0008","90","","105.607","0.004","90","","2242.9","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","2","","Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.","Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>.","Journal of natural products","2021","84","5","1453","1458","10.1021/acs.jnatprod.0c01141","","x-ray","1.54178","CuKα","","0.0483","0.0428","","","0.1056","0.1108","","","","","","1.033","","","","has coordinates","265758","2021-06-04","01:02:16",""
"1562547","14.1113","0.0003","14.1996","0.0003","6.88839","0.00013","90","","90","","90","","1380.26","0.05","149.95","0.1","149.95","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","Dimethyl Dithienopyrrol","","- C16 H13 N S2 -","- C16 H13 N S2 -","- C64 H52 N4 S8 -","4","0.5","","Förtsch, Sebastian; Mena-Osteritz, Elena; Bäuerle, Peter","Synthesis and characterization of β,β′-dimethylated dithieno[3,2-b:2′,3′-d]pyrroles and their corresponding regioregular conducting electropolymers","Polymer Chemistry","2021","12","22","3332","3345","10.1039/D1PY00479D","","x-ray","1.54184","CuKα","","0.0354","0.0307","","","0.086","0.0898","","","","","","1.087","","","","has coordinates","267254","2021-07-05","18:18:41",""
"1562548","16.1662","0.0015","12.7556","0.0012","16.3557","0.0015","90","","96.7815","0.0018","90","","3349.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 Si2 Zr2 -","- C33 H50 N2 Si2 Zr2 -","- C132 H200 N8 Si8 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0527","0.0449","","","0.1129","0.1216","","","","","","1.04","","","","has coordinates,has disorder","266994","2021-07-05","16:05:02",""
"1562549","8.4309","0.0006","8.6096","0.0006","10.3197","0.0008","89.1575","0.0017","78.2307","0.0018","74.7766","0.0017","706.99","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","1","0.5","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","1.54178","CuKα","","0.0328","0.0327","","","0.0889","0.089","","","","","","1.096","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562550","8.3405","0.0002","25.5764","0.0006","14.2103","0.0004","90","","100.188","0.002","90","","2983.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Si Zr2 -","- C33 H40 Si Zr2 -","- C132 H160 Si4 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0326","0.0265","","","0.0697","0.0712","","","","","","1.028","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562551","12.9147","0.0008","16.0454","0.0011","16.0971","0.001","73.455","0.003","74.142","0.003","82.668","0.003","3071.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C120.44 H165.32 Cl3.56 Si8 Zr8 -","4","2","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0311","0.0274","","","0.0685","0.0706","","","","","","1.174","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562552","15.9444","0.0003","19.642","0.0003","19.6889","0.0003","90","","90.009","0.001","90","","6166.17","0.18","120","0.5","120","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H52 N2 Zn -","- C33 H52 N2 Zn -","- C264 H416 N16 Zn8 -","8","4","","Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Zinc catalysed electrophilic C-H borylation of heteroarenes","Chemical Science","2021","","","","","10.1039/D1SC01883C","","x-ray","0.71073","MoKα","","0.0474","0.0389","","","0.0647","0.0675","","","","","","1.026","","","","has coordinates,has disorder","265202","2021-05-14","01:08:04",""
"1562553","11.8776","0.0006","4.6452","0.0002","12.931","0.0006","90","","113.246","0.006","90","","655.53","0.06","119.99","0.11","119.99","0.11","","","","","","","","6","P 1 c 1","P -2yc","7","","3-(1,3,2-benzodioxaborole)5-bromo-N-methylindole","","- C15 H11 B Br N O2 -","- C15 H11 B Br N O2 -","- C30 H22 B2 Br2 N2 O4 -","2","1","","Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Zinc catalysed electrophilic C-H borylation of heteroarenes","Chemical Science","2021","","","","","10.1039/D1SC01883C","","x-ray","0.71073","MoKα","","0.0356","0.0312","","","0.0668","0.0691","","","","","","1.041","","","","has coordinates","265202","2021-05-14","01:08:04",""
"1562554","19.26","0.005","12.118","0.003","19.857","0.007","90","","118.607","0.005","90","","4069","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 B F6 N3 O6 S2 -","- C35 H48 B F6 N3 O6 S2 -","- C140 H192 B4 F24 N12 O24 S8 -","4","1","","Grundy, Matthew; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Zinc catalysed electrophilic C-H borylation of heteroarenes","Chemical Science","2021","","","","","10.1039/D1SC01883C","","","0.71073","MoKα","","0.0851","0.0593","","","0.1383","0.1605","","","","","","1.097","","","","has coordinates","265202","2021-05-14","01:08:05",""
"1562555","14.4656","0.0001","14.4656","0.0001","14.4656","0.0001","90","","90","","90","","3026.98","0.04","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 K6.35 O96 P16.36 Si7.64 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","- Al24 K6.3544 O96 P16.3632 Si7.6368 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.01775","3.3713","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562556","14.472","0.0002","14.472","0.0002","14.472","0.0002","90","","90","","90","","3031","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Na7.9 O96 P16.36 Si7.64 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","- Al24 Na7.896 O96 P16.3584 Si7.6416 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.00658","1.5266","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562557","14.6832","0.0002","14.6832","0.0002","14.6832","0.0002","90","","90","","90","","3165.64","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O96 P16.26 Si7.74 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","- Al24 Cs6.6 O96 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.05352","4.2486","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562558","14.6833","0.0002","14.6833","0.0002","14.6833","0.0002","90","","90","","90","","3165.71","0.07","25","","25","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Al24 Cs6.6 O157.98 P16.26 Si7.74 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","- Al24 Cs6.5992 O157.984 P16.2552 Si7.7448 -","1","0.0416667","","Wang, Xiaohe; Yan, Nana; Xie, Miao; Liu, Puxu; Bai, Pu; Su, Haopeng; Wang, Binyu; Wang, Yunzheng; Li, Libo; Cheng, Tao; Guo, Peng; Yan, Wenfu; Yu, Jihong","The inorganic cation-tailored “trapdoor” effect of silicoaluminophosphate zeolite for highly selective CO2 separation","Chemical Science","2021","12","25","8803","8810","10.1039/D1SC00619C","powder diffraction","x-ray","1.5406","CuKa1","","","","","","","","","0.02336","2.1844","","","","","","","has coordinates","267088","2021-07-05","16:55:16",""
"1562560","32.2043","0.0012","7.6774","0.0003","34.1813","0.0013","90","","107.203","0.002","90","","8073.1","0.5","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 Cl9 Cu In N5 -","- C20 Cl9 Cu In N5 -","- C160 Cl72 Cu8 In8 N40 -","8","1","","Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.","Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption","Chemical Science","2021","","","","","10.1039/D1SC01159F","","x-ray","0.7288","synchrotron","","0.0603","0.0503","","","0.1587","0.1736","","","","","","1.047","","","","has coordinates,has disorder","265230","2021-05-15","00:46:36",""
"1562561","7.4458","0.0006","7.6348","0.0006","15.5065","0.0015","89.97","0.006","76.106","0.006","89.921","0.005","855.71","0.13","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C16 Cl8 Cu1.55 In0.45 N4 -","- C16 Cl8 Cu1.553 In0.447 N4 -","- C16 Cl8 Cu1.553 In0.447 N4 -","1","0.5","","Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.","Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption","Chemical Science","2021","","","","","10.1039/D1SC01159F","","","0.7288","synchrotron","","0.1145","0.0905","","","0.2586","0.279","","","","","","1.09","","","","has coordinates,has disorder","265230","2021-05-15","00:46:36",""
"1562562","7.4183","0.0004","32.1336","0.0018","7.259","0.0004","90","","90","","90","","1730.38","0.16","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H14 Cl6 Cu0.78 In0.22 N2 -","- C12 H14 Cl6 Cu0.781 In0.219 N2 -","- C48 H56 Cl24 Cu3.124 In0.876 N8 -","4","0.5","","Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.","Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption","Chemical Science","2021","","","","","10.1039/D1SC01159F","","x-ray","0.71073","MoKα","","0.0908","0.0777","","","0.1388","0.1434","","","","","","1.215","","","","has coordinates,has disorder","265230","2021-05-15","00:46:37",""
"1562563","16.441","0.0008","7.5928","0.0004","7.313","0.0004","90","","102.684","0.002","90","","890.63","0.08","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl6 Cu0.83 In0.17 N2 -","- C12 H14 Cl6 Cu0.833 In0.167 N2 -","- C24 H28 Cl12 Cu1.666 In0.334 N4 -","2","0.5","","Connor, Bridget; Smaha, Rebecca; Li, Jiayi; Gold-Parker, Aryeh; Heyer, Alexander; Toney, Michael F.; Lee, Young; Karunadasa, Hemamala I.","Alloying a Single and a Double Perovskite: A Cu+/2+ Mixed-Valence Layered Halide Perovskite with Strong Optical Absorption","Chemical Science","2021","","","","","10.1039/D1SC01159F","","","0.7288","synchrotron","","0.0503","0.049","","","0.1244","0.125","","","","","","1.091","","","","has coordinates,has disorder","265230","2021-05-15","00:46:40",""
"1562564","8.4465","0.0003","10.296","0.0004","12.1699","0.0004","91.24","0.001","95.072","0.001","92.102","0.001","1053.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C44 H46 N6 O4 -","2","1","","Sivapriya, S.; Priyanka, S.; Gopalakrishnan, M.; Manikandan, H.; Selvanayagam, S.","Ethyl 2-cyano-2-{(<i>Z</i>)-2-[2,2-dicyano-1-(4-methylphenyl)ethyl]cyclohexylidene}acetate","IUCrData","2021","6","5","x210500","","10.1107/S2414314621005009","","","0.71073","MoKα","","0.0919","0.0636","","","0.1805","0.2105","","","","","","0.973","","","","has coordinates,has Fobs","265249","2021-05-15","05:08:00",""
"1562619","7.345","0.0004","11.5313","0.0008","23.7692","0.0018","90","","90","","90","","2013.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N4 O5 S -","- C21 H16 N4 O5 S -","- C84 H64 N16 O20 S4 -","4","1","","Mondal, Bivas; Maiti, Rakesh; Yang, Xing; Xu, Jun; Tian, Weiyi; Yan, Jialei; Li, Xiangyang; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Annulation of Dinucleophilic Hydrazones and Bromoenals for Access to Aryl-Dihydropyridazinones and Related Drugs","Chemical Science","2021","","","","","10.1039/D1SC01891D","","x-ray","0.71073","MoKα","","0.0649","0.0456","","","0.0856","0.0945","","","","","","1.035","","","","has coordinates,has disorder","265285","2021-05-18","03:07:49",""
"1562620","10.2792","0.0001","9.3759","0.0001","14.5388","0.0002","90","","90","","90","","1401.2","0.03","293","2","293","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C5 H14 B3 F12 K N2 -","- C5 H14 B3 F12 K N2 -","- C20 H56 B12 F48 K4 N8 -","4","1","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","1.54178","CuKα","","0.0356","0.0344","","","0.0962","0.1019","","","","","","1.085","","","","has coordinates","265286","2021-05-18","03:08:44",""
"1562621","10.568","0.002","9.929","0.002","14.249","0.003","90","","90","","90","","1495.1","0.5","400","2","400","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C5 H14 B3 F12 K N2 -","- C4.5 H14 B3 F12 K N2 -","- C18 H56 B12 F48 K4 N8 -","4","0.25","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","0.77487","synchrotron","","0.079","0.0772","","","0.2331","0.2423","","","","","","1.039","","","","has coordinates,has disorder","265286","2021-05-18","03:08:45",""
"1562622","10.5005","0.0004","9.7685","0.0004","14.0216","0.0005","90","","90","","90","","1438.25","0.1","338","2","338","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C5 H14 B3 F12 K N2 -","- C5 H14 B3 F12 K N2 -","- C20 H56 B12 F48 K4 N8 -","4","0.5","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","0.77487","synchrotron","","0.0769","0.0678","","","0.22","0.2297","","","","","","1.088","","","","has coordinates,has disorder","265286","2021-05-18","03:08:45",""
"1562623","7.2964","0.0017","7.2964","0.0017","7.2964","0.0017","90","","90","","90","","388.44","0.16","463","0.2","463","0.2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C5 H14 B3 F12 K N2 -","- C4.4928 H13.9776 B3 F12 K N1.9968 -","- C4.4928 H13.9776 B3 F12 K N1.9968 -","1","0.0208333","","Chen, Xiao-Xian; Zhang, X. Y.; Liu, De-Xuan; Huang, Rui-Kang; Wang, Sha-Sha; Xiong, Li-Qun; Zhang, Wei-Xiong; Chen, Xiao-Ming","Room-temperature ferroelectric and ferroelastic orders coexisting in a new tetrafluoroborate-based perovskite","Chemical Science","2021","","","","","10.1039/D1SC01345A","","","0.71073","MoKα","","0.1483","0.0793","","","0.1678","0.2237","","","","","","0.928","","","","has coordinates,has disorder","265286","2021-05-18","03:08:45",""
"1562624","13.0037","0.0003","13.1533","0.0002","22.7428","0.0004","99.03","0.001","103.602","0.002","101.623","0.002","3617.03","0.13","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C79 H62 B Cl2 F4 N2 O4 Os P3 -","- C79 H62 B Cl2 F4 N2 O4 Os P3 -","- C158 H124 B2 Cl4 F8 N4 O8 Os2 P6 -","2","1","","Lin, Xusheng; Xie, Weiwei; Lin, Qin; Cai, Yuanting; Hua, Yuhui; Lin, Jianfeng; He, Guomei; Chen, Jiangxi","NIR-responsive metal-containing polymer hydrogel for light-controlled microvalve","Polymer Chemistry","2021","12","23","3375","3382","10.1039/D1PY00404B","","x-ray","1.54184","CuKα","","0.0758","0.068","","","0.1716","0.1825","","","","","","1.046","","","","has coordinates","267255","2021-07-05","18:18:49",""
"1562675","11.434","0.004","16.592","0.006","7.918","0.003","90","","101.679","0.004","90","","1471","0.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Br3 N2 Pb -","- C9 H17 Br3 N2 Pb -","- C36 H68 Br12 N8 Pb4 -","4","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.039","0.025","","","0.0491","0.0525","","","","","","1.047","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562676","7.941","0.002","9.783","0.003","16.168","0.005","90","","90","","90","","1256","0.6","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 Br3 N2 Pb -","- C6 H12 Br3 N2 Pb -","- C24 H48 Br12 N8 Pb4 -","4","0.5","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0319","0.0254","","","0.0551","0.0576","","","","","","1.076","","","","has coordinates,has disorder","265760","2021-06-04","01:03:27",""
"1562677","17.6424","0.0002","7.7315","0.0001","19.1592","0.0002","90","","90","","90","","2613.36","0.05","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Br3 N2 Pb -","- C7 H12 Br3 N2 Pb -","- C56 H96 Br24 N16 Pb8 -","8","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","x-ray","1.54184","CuKα","","0.0408","0.0395","","","0.105","0.106","","","","","","1.067","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562678","10.2578","0.0008","23.1688","0.0018","7.7621","0.0006","90","","101.481","0.001","90","","1807.8","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 Br3 N2 O Pb -","- C10 H23 Br3 N2 O Pb -","- C40 H92 Br12 N8 O4 Pb4 -","4","1","","Zhao, Jian-Qiang; Jing, Chang-Qing; Wu, Jia-Hang; Zhang, Wei-Feng; Feng, Li-Juan; Yue, Cheng-Yang; Lei, Xiao-Wu","Systematic Approach of One-Dimensional Lead Perovskites with Face-Sharing Connectivity to Realize Efficient and Tunable Broadband Light Emission","The Journal of Physical Chemistry C","2021","125","20","10850","10859","10.1021/acs.jpcc.1c00515","","","0.71073","MoKα","","0.0734","0.0425","","","0.113","0.1317","","","","","","1.0041","","","","has coordinates","265760","2021-06-04","01:03:27",""
"1562679","29.5021","0.0013","9.0794","0.0003","9.482","0.0004","90","","90","","90","","2539.86","0.18","123","2","123","2","","","","","","","","6","I b a 2","I 2 -2c","45","","2-(3,5-dichloro-2-iodo-6-(methylthio)phenyl)-2H-1,2,3-triazole","","- C9 H6 Cl2 I N3 S -","- C9 H6 Cl2 I N3 S -","- C72 H48 Cl16 I8 N24 S8 -","8","1","","Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul","Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene","Chemical Science","2021","","","","","10.1039/D1SC01777B","","","0.71073","MoKα","","0.0369","0.0317","","","0.0722","0.0757","","","","","","1.059","","","","has coordinates","265321","2021-05-19","01:00:20",""
"1562680","8.0355","0.0004","11.4221","0.0006","13.059","0.0005","105.984","0.004","104.098","0.004","96.492","0.004","1096.49","0.1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","(4-bromo-2,5-dimethoxyphenyl)(5-(4-(trimethylsilyl)-1H- 1,2,3-triazol-1-yl)benzo[d][1,3]dioxol-4-yl)methanol","","- C21 H24 Br N3 O5 Si -","- C21 H24 Br N3 O5 Si -","- C42 H48 Br2 N6 O10 Si2 -","2","1","","Hess, Andreas; Prohaska, Jan Philip; Doerrich, Sabrina Bettina; Trauner, Florian; Lutter, Ferdinand Hermann; Lemaire, Sébastien; Wagschal, Simon; Karaghiosoff, Konstantin; Knochel, Paul","Directed Regioselective ortho,ortho’-Magnesiations of Aromatics and Heterocycles using sBu2Mg in Toluene","Chemical Science","2021","","","","","10.1039/D1SC01777B","","","0.71073","MoKα","","0.0826","0.0475","","","0.0929","0.1078","","","","","","1.032","","","","has coordinates","265321","2021-05-19","01:00:21",""
"1562681","18.7348","0.0005","21.8196","0.0009","27.4073","0.0011","93.167","0.003","101.052","0.003","107.422","0.003","10415.3","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H202 N9 O28 Pt2 -","- C222 H202 N9 O28 Pt2 -","- C444 H404 N18 O56 Pt4 -","2","1","","Sumida, Ryuki; Tanaka, Yuya; Niki, Keita; Sei, Yoshihisa; Toyota, Shinji; Yoshizawa, Michito","Cyclic Monoterpenes Trapped in a Polyaromatic Capsule: Unusual Selectivity, Isomerization, and Volatility Suppression","Chemical Science","2021","","","","","10.1039/D1SC01987B","","x-ray","1.54184","CuKα","","0.1741","0.0917","","","0.2324","0.2877","","","","","","0.967","","","","has coordinates,has disorder","265322","2021-05-19","01:02:10",""
"1562682","18.6373","0.0005","22.054","0.0005","27.1149","0.0005","93.016","0.002","101.669","0.002","106.888","0.002","10369.9","0.4","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C215.33 H189.33 N10 O30.5 Pt2 -","- C215.333 H189.333 N10 O30.5 Pt2 -","- C430.666 H378.666 N20 O61 Pt4 -","2","1","","Sumida, Ryuki; Tanaka, Yuya; Niki, Keita; Sei, Yoshihisa; Toyota, Shinji; Yoshizawa, Michito","Cyclic Monoterpenes Trapped in a Polyaromatic Capsule: Unusual Selectivity, Isomerization, and Volatility Suppression","Chemical Science","2021","","","","","10.1039/D1SC01987B","","x-ray","1.54184","CuKα","","0.1037","0.0779","","","0.231","0.2538","","","","","","0.915","","","","has coordinates","265322","2021-05-19","01:02:11",""
"1562683","8.8717","0.0008","18.8801","0.0001","9.9362","0.0005","90","","100.916","0.001","90","","1634.19","0.17","150","","150","","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C30 H38 Cu2 N4 O19 -","- C30 H38 Cu2 N4 O19 -","- C60 H76 Cu4 N8 O38 -","2","0.25","","Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong","Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride","Transition Metal Chemistry","2021","46","","283","290","10.1007/s11243-020-00444-2","","x-ray","1.34139","GaKα","","0.0443","0.0441","","","0.1168","0.1171","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","265329","2021-05-19","13:09:34",""
"1562684","7.047","0.0014","8.9611","0.0018","9.4376","0.0019","76.52","0.03","71.24","0.03","86.47","0.03","548.7","0.2","333","2","333","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl3 N4 O0.6 -","- C24 H20 Cl3 N4 O0.4 -","- C24 H20 Cl3 N4 O0.4 -","1","0.5","","Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul","Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating","The Journal of Physical Chemistry C","2021","125","20","10991","10997","10.1021/acs.jpcc.0c10644","","","0.63","synchrotron","","0.1322","0.075","","","0.2128","0.2513","","","","","","0.998","","","","has coordinates,has disorder","265761","2021-06-04","01:03:34",""
"1562685","7.0475","0.0005","27.97","0.002","11.386","0.0008","90","","102.511","0.004","90","","2191.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H10 Cl1.19 N2 O0.4 -","- C12 H10 Cl1.187 N2 O0.4 -","- C96 H80 Cl9.496 N16 O3.2 -","8","1","","Koo, Jin Young; Kwon, Taeyeon; Ahn, Yoolim; Choi, Hee Cheul","Phase Change-Driven Radical Population and Electrical Conductivity Increases of Organic Radical Crystals by Mild Heating","The Journal of Physical Chemistry C","2021","125","20","10991","10997","10.1021/acs.jpcc.0c10644","","","0.71073","MoKα","","0.1509","0.0795","","","0.2307","0.2963","","","","","","1.049","","","","has coordinates","265761","2021-06-04","01:03:34",""
"1562686","12.102","0.002","23.347","0.006","31.702","0.009","90","","99.798","0.016","90","","8827","4","173","2","172.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H54 Br6 I2 N12 O12 -","- C90 H54 Br6 I2 N12 O12 -","- C360 H216 Br24 I8 N48 O48 -","4","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.2163","0.1368","","","0.3099","0.3416","","","","","","1.37","","","","has coordinates,has disorder","267039","2021-07-05","16:22:29",""
"1562687","14.159","0.007","23.995","0.013","14.229","0.007","90","","104.068","0.014","90","","4689","4","170","2","169.96","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C90 H60 Br6 N12 O15 -","- C90 H60 Br6 N12 O15 -","- C180 H120 Br12 N24 O30 -","2","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.1844","0.087","","","0.2093","0.2689","","","","","","0.961","","","","has coordinates","267039","2021-07-05","16:22:29",""
"1562688","12.1313","0.0008","23.4871","0.0017","31.769","0.002","90","","99.44","0.004","90","","8929.3","1","173","2","172.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90 H54 Br2 I6 N12 O12 -","- C90 H54 Br2 I6 N12 O12 -","- C360 H216 Br8 I24 N48 O48 -","4","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.2937","0.1652","","","0.3397","0.3825","","","","","","1.649","","","","has coordinates","267039","2021-07-05","16:22:29",""
"1562689","14.4602","0.0005","21.9065","0.0008","25.836","0.001","106.98","0.001","100.14","0.001","109.181","0.001","7049.7","0.5","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C150 H108 Br6 N12 O27 -","- C150 H108 Br6 N12 O27 -","- C300 H216 Br12 N24 O54 -","2","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","0.71073","MoKα","","0.1767","0.1393","","","0.3247","0.3485","","","","","","1.043","","","","has coordinates","267039","2021-07-05","16:22:29",""
"1562690","21.62","0.003","25.189","0.003","26.682","0.003","99.495","0.009","108.239","0.007","105.86","0.007","12767","3","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C233 H147 Br12 N24 O49 -","- C233 H147 Br12 N24 O49 -","- C466 H294 Br24 N48 O98 -","2","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.1836","0.1431","","","0.3051","0.3198","","","","","","1.007","","","","has coordinates,has disorder","267039","2021-07-05","16:22:29",""
"1562691","18.8016","0.0017","21.9859","0.0017","28.453","0.002","90","","108.666","0.006","90","","11143","1.6","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C100 H65 Br6 N12 O15 -","- C100 H65 Br6 N12 O15 -","- C400 H260 Br24 N48 O60 -","4","1","","Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao","A water-soluble naphthalenediimide-containing hexacationic cage.","Chemical communications (Cambridge, England)","2021","57","49","6074","6077","10.1039/d1cc02242c","","","1.34139","GaKα","","0.2889","0.1777","","","0.3724","0.4512","","","","","","1.044","","","","has coordinates","267039","2021-07-05","16:22:29",""
"1562692","15.46","","17.12","","20.31","","76.74","","69.11","","72.2","","4737.81","","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C126 H108 O24 -","- C126 H108 O24 -","- C252 H216 O48 -","2","1","","Fernandez-Bartolomé, Estefania; Gamonal, Arturo; Santos, Jose; Khodabakhshi, Saeed; Rodriguez, Eider; Sañudo, E. Carolina; Martín, Nazario; Sanchez Costa, Jose","Playing with the Weakest Supramolecular Interactions in a 3D Crystalline Hexakis[60]Fullerene Induces Control over Hydrogenation Selectivity","Chemical Science","2021","","","","","10.1039/D1SC00981H","","","0.72931","Synchrotron","","0.0795","0.0765","","","0.2197","0.2243","","","","","","1.036","","","","has coordinates,has disorder","265343","2021-05-20","01:03:45",""
"1562693","15.48","","17.08","","20.49","","77.04","","69.9","","71.44","","4782.64","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C126 H108 O24 -","- C126 H108 O24 -","- C252 H216 O48 -","2","1","","Fernandez-Bartolomé, Estefania; Gamonal, Arturo; Santos, Jose; Khodabakhshi, Saeed; Rodriguez, Eider; Sañudo, E. Carolina; Martín, Nazario; Sanchez Costa, Jose","Playing with the Weakest Supramolecular Interactions in a 3D Crystalline Hexakis[60]Fullerene Induces Control over Hydrogenation Selectivity","Chemical Science","2021","","","","","10.1039/D1SC00981H","","","0.72931","Synchrotron","","0.1788","0.1184","","","0.281","0.3283","","","","","","1.032","","","","has coordinates,has disorder","265343","2021-05-20","01:03:46",""
"1562694","36.038","0.003","19.4536","0.0015","14.1461","0.0011","90","","109.424","0.001","90","","9352.9","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H56 Eu2 F18 N6 O16 S6 -","- C94 H56 Eu2 F18 N6 O16 S6 -","- C376 H224 Eu8 F72 N24 O64 S24 -","4","0.5","","Suko, Natsumi; Itamoto, Hideki; Okayasu, Yoshinori; Okura, Naoya; Yuasa, Junpei","Helix-mediated over 1 nm-range chirality recognition by ligand-to-ligand interactions of dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01611C","","","0.71073","MoKα","","0.0494","0.0413","","","0.1132","0.1177","","","","","","1.059","","","","has coordinates,has disorder","265344","2021-05-20","01:04:22",""
"1562695","10.6986","0.0003","10.1128","0.0002","15.0273","0.0004","90","","94.84","0.002","90","","1620.05","0.07","101","3","101","3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 Fe2 -","- C52 H32 Fe2 -","- C104 H64 Fe4 -","2","0.5","","Metzelaars, Marvin; Schneider, Claus M.; Rawson, Jeff; Bürgler, Daniel E.; Sanz, Sergio; Matthes, Frank; Kögerler, Paul; Hattori, Takuma; Schleicher, Sebastian; Borca, Bogdana","Cyclophane with Eclipsed Pyrene Units Enables Construction of Spin Interfaces with Chemical Accuracy","Chemical Science","2021","","","","","10.1039/D1SC01036K","","x-ray","0.71073","MoKα","","0.0968","0.0483","","","0.0964","0.118","","","","","","1.025","","","","has coordinates","265345","2021-05-20","01:05:00",""
"1562696","11.1819","0.0004","7.9345","0.0002","14.519","0.0005","90","","100.936","0.003","90","","1264.77","0.07","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Fe2 -","- C36 H26 Fe2 -","- C72 H52 Fe4 -","2","0.5","","Metzelaars, Marvin; Schneider, Claus M.; Rawson, Jeff; Bürgler, Daniel E.; Sanz, Sergio; Matthes, Frank; Kögerler, Paul; Hattori, Takuma; Schleicher, Sebastian; Borca, Bogdana","Cyclophane with Eclipsed Pyrene Units Enables Construction of Spin Interfaces with Chemical Accuracy","Chemical Science","2021","","","","","10.1039/D1SC01036K","","x-ray","0.71073","MoKα","","0.0679","0.0402","","","0.0695","0.0829","","","","","","1.05","","","","has coordinates","265345","2021-05-20","01:05:01",""
"1562742","32.412","0.012","6.476","0.003","23.549","0.008","90","","132.313","0.005","90","","3655","3","295","2","295","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H100 F4 N6 O21 S4 -","- C68 H100 F4 N6 O21 S4 -","- C136 H200 F8 N12 O42 S8 -","2","0.5","","Zhang, Dongfeng; Li, Peng; Gao, Yongxin; Song, Yaoyao; Zhu, Yaqin; Su, Hong; Yang, Beibei; Li, Li; Li, Gang; Gong, Ningbo; Lu, Yang; Shao, Huanjie; Yu, Chunrong; Huang, Haihong","Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase Including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00082","","","1.54178","CuKα","","0.0624","0.0562","","","0.1368","0.1426","","","","","","1.015","","","","has coordinates,has disorder","265381","2021-05-20","22:59:07",""
"1562743","5.9932","0.0002","14.6831","0.0007","19.3382","0.0007","90","","94.406","0.002","90","","1696.71","0.12","170","2","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","2","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0442","0.0378","","","0.0892","0.0938","","","","","","1.049","","","","has coordinates","265757","2021-06-04","01:02:04",""
"1562744","7.7064","0.0014","37.225","0.006","12.4547","0.0017","90","","90","","90","","3572.9","1","298","","298","","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C34 H54 O13 -","- C34 H54 O13 -","- C136 H216 O52 -","4","0.5","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0408","0.0378","","","0.1047","0.1087","","","","","","1.055","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562745","8.7335","0.0003","12.167","0.0004","16.1121","0.0005","90","","90","","90","","1712.08","0.1","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0336","0.0326","","","0.0835","0.0845","","","","","","1.078","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562746","6.0582","0.0002","12.5066","0.0004","22.5946","0.0007","90","","90","","90","","1711.94","0.09","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C68 H104 O24 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54184","CuKα","","0.0382","0.0358","","","0.0915","0.0936","","","","","","1.08","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562747","6.1916","0.0002","13.7904","0.0003","18.8869","0.0004","90","","90","","90","","1612.65","0.07","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0303","0.0292","","","0.0728","0.074","","","","","","1.055","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562748","6.3429","0.0003","12.3949","0.0007","8.7256","0.0005","90","","99.915","0.002","90","","675.76","0.06","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0352","0.0349","","","0.0943","0.0946","","","","","","1.129","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562749","12.1025","0.0003","16.7657","0.0004","7.1219","0.0002","90","","90","","90","","1445.08","0.06","140","","140","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0318","0.031","","","0.0832","0.0839","","","","","","1.076","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562750","6.4265","0.0002","9.3215","0.0004","22.7177","0.0008","90","","90","","90","","1360.9","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0381","0.0376","","","0.1069","0.1075","","","","","","1.047","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562751","6.6413","0.0001","14.8419","0.0003","16.7613","0.0003","90","","90","","90","","1652.15","0.05","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0292","0.0282","","","0.0712","0.0722","","","","","","1.084","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562752","17.1493","0.0007","17.1493","0.0007","17.1493","0.0007","90","","90","","90","","5043.6","0.4","294.99","","294.99","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","","","- C70 I8 Sn2 -","- C70.014 I8 Sn2 -","- C280.056 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.0911","0.0679","","","0.191","0.2144","","","","","","1.066","","","","has coordinates,has disorder","265394","2021-05-20","23:41:07",""
"1562753","16.8763","0.0013","16.8763","0.0013","16.8763","0.0013","90","","90","","90","","4806.5","0.6","295.01","","295.01","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- C65 I8 Sn2 -","- C64.974 I8 Sn2 -","- C259.896 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.1241","0.0794","","","0.1478","0.1714","","","","","","1.188","","","","has coordinates,has disorder","265395","2021-05-20","23:41:51",""
"1562754","16.739","0.0013","16.739","0.0013","16.739","0.0013","90","","90","","90","","4690.2","0.6","295","","295","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- C62.5 I8 Sn2 -","- C62.514 I8 Sn2 -","- C250.056 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.1277","0.0759","","","0.1507","0.1725","","","","","","1.163","","","","has coordinates,has disorder","265396","2021-05-20","23:42:35",""
"1562755","17.0312","0.0003","17.0312","0.0003","17.0312","0.0003","90","","90","","90","","4940.1","0.15","295","","295","","","","","","","","","3","P 43 3 2","P 4acd 2ab 3","212","","","","- C67.5 I8 Sn2 -","- C67.512 I8 Sn2 -","- C270.048 I32 Sn8 -","4","0.166667","","Straus, Daniel B.; Cava, Robert J.","Generalizing the Chiral Self-Assembly of Spheres and Tetrahedra to Non-Spherical and Polydisperse Molecules in (C70)x(C60)1‒x(SnI4)2","Nano Letters","2021","","","","","10.1021/acs.nanolett.1c01181","","","0.71073","MoKα","","0.0823","0.058","","","0.1532","0.1761","","","","","","1.034","","","","has coordinates,has disorder","265397","2021-05-20","23:43:20",""
"1562756","11.746","0.002","12.121","0.002","20.783","0.004","90","","90","","90","","2958.9","0.9","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N3 Ni O3 -","- C34 H37 N3 Ni O3 -","- C136 H148 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0638","0.0445","","","0.0944","0.103","","","","","","1.02","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562757","10.1084","0.0004","12.8143","0.0005","21.4068","0.0009","90","","90","","90","","2772.87","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N3 Ni O3 -","- C31 H33 N3 Ni O3 -","- C124 H132 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0314","0.028","","","0.0709","0.073","","","","","","1.033","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562813","10.4771","0.0007","9.1278","0.0007","15.7435","0.0012","90","","102.494","0.007","90","","1469.94","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H40 O7 -","- C31 H40 O7 -","- C62 H80 O14 -","2","1","","Xiao, Yao; Wang, Neng; Wan, Lin-Xi; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng","Iron-Catalyzed Skeletal Conversion of Lathyrane to Premyrsinane Euphorbia Diterpenes and Their Cytotoxic Activities","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01363","","x-ray","0.71073","MoKα","","0.0869","0.0534","","","0.1118","0.1298","","","","","","1.037","","","","has coordinates,has disorder","265438","2021-05-21","23:09:09",""
"1562814","10.9276","0.0007","12.2037","0.0007","21.9741","0.0013","90","","90","","90","","2930.4","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O7 -","- C31 H40 O7 -","- C124 H160 O28 -","4","1","","Xiao, Yao; Wang, Neng; Wan, Lin-Xi; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng","Iron-Catalyzed Skeletal Conversion of Lathyrane to Premyrsinane Euphorbia Diterpenes and Their Cytotoxic Activities","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01363","","x-ray","0.71073","MoKα","","0.1041","0.0668","","","0.1561","0.1816","","","","","","1.035","","","","has coordinates,has disorder","265439","2021-05-21","23:09:29",""
"1562815","10.315","0.002","10.817","0.002","11.741","0.002","89.82","0.03","77.69","0.03","69.51","0.03","1195.3","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 B10 -","- C23 H28 B10 -","- C46 H56 B20 -","2","1","","You, Dong Kyun; So, Hyunhee; Ryu, Chan Hee; Kim, Mingi; Lee, Kang Mun","Strategic molecular design of closo-ortho-carboranyl luminophores to manifest thermally activated delayed fluorescence","Chemical Science","2021","","","","","10.1039/D1SC00791B","","","0.71073","MoKα","","0.0652","0.0516","","","0.1204","0.1296","","","","","","1.004","","","","has coordinates","265445","2021-05-22","01:05:22",""
"1562816","12.297","0.002","10.173","0.002","15.922","0.003","90","","98.61","0.03","90","","1969.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 B10 -","- C17 H24 B10 -","- C68 H96 B40 -","4","1","","You, Dong Kyun; So, Hyunhee; Ryu, Chan Hee; Kim, Mingi; Lee, Kang Mun","Strategic molecular design of closo-ortho-carboranyl luminophores to manifest thermally activated delayed fluorescence","Chemical Science","2021","","","","","10.1039/D1SC00791B","","","0.71073","MoKα","","0.11","0.0722","","","0.2197","0.2709","","","","","","1.029","","","","has coordinates","265445","2021-05-22","01:05:22",""
"1562817","12.3205","0.0004","10.0468","0.0004","22.4474","0.0008","90","","99.69","0.0011","90","","2738.93","0.17","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 B10 -","- C26 H35 B10 -","- C104 H140 B40 -","4","1","","You, Dong Kyun; So, Hyunhee; Ryu, Chan Hee; Kim, Mingi; Lee, Kang Mun","Strategic molecular design of closo-ortho-carboranyl luminophores to manifest thermally activated delayed fluorescence","Chemical Science","2021","","","","","10.1039/D1SC00791B","","","0.71073","MoKα","","0.0606","0.0535","","","0.1382","0.1448","","","","","","1.052","","","","has coordinates,has disorder","265445","2021-05-22","01:05:22",""
"1562818","11.777","0.002","13.127","0.003","15.795","0.003","90","0.03","87.43","0.03","90","0.03","2439.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 B10 -","- C23 H28 B10 -","- C92 H112 B40 -","4","2","","You, Dong Kyun; So, Hyunhee; Ryu, Chan Hee; Kim, Mingi; Lee, Kang Mun","Strategic molecular design of closo-ortho-carboranyl luminophores to manifest thermally activated delayed fluorescence","Chemical Science","2021","","","","","10.1039/D1SC00791B","","","0.71073","MoKα","","0.1702","0.0751","","","0.1558","0.219","","","","","","1.006","","","","has coordinates","265445","2021-05-22","01:05:22",""
"1562819","7.3179","0.0004","8.0093","0.0004","17.5057","0.0009","91.8513","0.0018","92.9102","0.0018","116.684","0.0016","913.82","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[2,2'-({[2-(Dimethylamino)ethyl]azanediyl}bis(methylene))bis(4,6-difluorophenolato)]dioxidomolybdenum(VI))","","- C18 H18 F4 Mo N2 O4 -","- C18 H18 F4 Mo N2 O4 -","- C36 H36 F8 Mo2 N4 O8 -","2","1","PK4033","Bowen, Christina L.; Wile, Bradley M.","Dioxidomolybdenum(VI) complex featuring a 2,4-difluoro-substituted amine bis(phenolate) ligand","IUCrData","2021","6","5","x210516","","10.1107/S2414314621005162","","","0.71073","MoKα","","0.0219","0.0192","","","0.0478","0.049","","","","","","1.121","","","","has coordinates,has Fobs","265455","2021-05-22","05:18:56",""
"1562833","15.2478","0.0011","19.3901","0.0011","19.4093","0.0012","90","","90","","90","","5738.5","0.6","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C19 H9.5 B Li N0.5 O6 -","- C19 H8 B Li N0.5 O6 -","- C152 H64 B8 Li8 N4 O48 -","8","1","","Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei","Single crystals of mechanically entwined helical covalent polymers","Nature Chemistry","2021","","","1","","10.1038/s41557-021-00686-2","","","0.7288","synchrotron","","0.0802","0.078","","","0.2131","0.2172","","","","","","1.176","","","","has coordinates","265465","2021-05-24","08:21:07",""
"1562834","15.2523","0.0014","19.3821","0.0018","19.4331","0.0018","90","","90","","90","","5744.8","0.9","100","2","100","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C19 H10 B Li N0.5 O6.25 -","- C19 H8 B Li N0.5 O6.25 -","- C152 H64 B8 Li8 N4 O50 -","8","1","","Hu, Yiming; Teat, Simon J.; Gong, Wei; Zhou, Zhou; Jin, Yinghua; Chen, Hongxuan; Wu, Jingyi; Cui, Yong; Jiang, Tao; Cheng, Xinbin; Zhang, Wei","Single crystals of mechanically entwined helical covalent polymers","Nature Chemistry","2021","","","1","","10.1038/s41557-021-00686-2","","","0.7288","synchrotron","","0.09","0.0882","","","0.2428","0.2475","","","","","","1.115","","","","has coordinates","265465","2021-05-24","08:21:08",""
"1562835","5.6323","0.0001","13.4731","0.0002","12.4161","0.0003","90","","100.114","0.002","90","","927.55","0.03","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","xstr1192","","- C9 H12 N2 S -","- C9 H12 N2 S -","- C36 H48 N8 S4 -","4","1","","Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.","Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides","Chemical Science","2021","","","","","10.1039/D1SC01846A","","x-ray","1.54184","CuKα","","0.0341","0.0329","","","0.0906","0.0918","","","","","","1.066","","","","has coordinates","265471","2021-05-25","00:53:28",""
"1562836","10.7219","0.0001","10.9998","0.0001","17.8205","0.0002","90","","104.193","0.001","90","","2037.57","0.04","151","1","151","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","xstr1294","","- C16.5 H29 N3 O S Zn -","- C16.5 H29 N3 O S Zn -","- C66 H116 N12 O4 S4 Zn4 -","4","1","","Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.","Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides","Chemical Science","2021","","","","","10.1039/D1SC01846A","","x-ray","1.54184","CuKα","","0.0442","0.0432","","","0.1209","0.1219","","","","","","1.039","","","","has coordinates,has disorder","265471","2021-05-25","00:53:29",""
"1562837","8.5467","0.0002","9.625","0.0002","15.3938","0.0004","90","","105.349","0.003","90","","1221.16","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1205","","- C11 H16 N2 S Zn -","- C11 H16 N2 S Zn -","- C44 H64 N8 S4 Zn4 -","4","1","","Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.","Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides","Chemical Science","2021","","","","","10.1039/D1SC01846A","","x-ray","1.54184","CuKα","","0.0264","0.0258","","","0.0687","0.0693","","","","","","1.075","","","","has coordinates","265471","2021-05-25","00:53:29",""
"1562838","11.8641","0.0001","8.3888","0.0001","18.435","0.0002","90","","95.994","0.001","90","","1824.72","0.03","149.94","0.1","149.94","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","xstr1300","","- C14.5 H24 N3 O S Zn -","- C14.5 H24 N3 O S Zn -","- C58 H96 N12 O4 S4 Zn4 -","4","1","","Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.","Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides","Chemical Science","2021","","","","","10.1039/D1SC01846A","","x-ray","1.54184","CuKα","","0.033","0.0321","","","0.0883","0.0892","","","","","","1.047","","","","has coordinates,has disorder","265471","2021-05-25","00:53:29",""
"1562839","27.1708","0.0003","8.98003","0.00013","58.2262","0.0007","90","","91.0722","0.0012","90","","14204.4","0.3","150","0.4","150","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","xstr1318","","- C92 H169.6 N16 S8 Zn8 -","- C92 H169.6 N16 S8 Zn8 -","- C460 H848 N80 S40 Zn40 -","5","0.625","","Bhide, Malavika; Mears, Kristian Luke; Carmalt, Claire J.; Knapp, Caroline E.","Synthesis, solution dynamics and chemical vapour deposition of heteroleptic zinc complexes via ethyl and amide zinc thioureides","Chemical Science","2021","","","","","10.1039/D1SC01846A","","x-ray","1.54184","CuKα","","0.0497","0.0458","","","0.1158","0.1185","","","","","","1.079","","","","has coordinates","265471","2021-05-25","00:53:29",""
"1562851","8.3692","0.0005","13.6847","0.0009","18.8298","0.0008","105.445","0.005","99.637","0.004","99.462","0.005","1999.2","0.2","110","0.1","110","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 O P2 -","- C48 H52 O P2 -","- C96 H104 O2 P4 -","2","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","","1.54184","CuKα","","0.0846","0.0537","","","0.1252","0.1449","","","","","","1.006","","","","has coordinates","265490","2021-05-26","01:14:13",""
"1562852","12.9929","0.0004","16.2926","0.0006","17.9735","0.0006","82.461","0.003","84.317","0.003","84.684","0.003","3741.1","0.2","150.01","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H56 B F24 O5 P2 Rh -","- C79 H56 B F24 O5 P2 Rh -","- C158 H112 B2 F48 O10 P4 Rh2 -","2","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","","1.54184","CuKα","","0.0435","0.0409","","","0.1092","0.1115","","","","","","1.032","","","","has coordinates,has disorder","265490","2021-05-26","01:14:13",""
"1562853","13.1702","0.0002","15.7363","0.0003","17.8817","0.0003","81.607","0.002","84.675","0.001","84.508","0.001","3637.75","0.11","150.01","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H56 B F24 O P2 Rh -","- C79 H56 B F24 O P2 Rh -","- C158 H112 B2 F48 O2 P4 Rh2 -","2","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","","1.54184","CuKα","","0.0438","0.0421","","","0.1129","0.1146","","","","","","1.055","","","","has coordinates,has disorder","265490","2021-05-26","01:14:14",""
"1562854","20.4389","0.0001","18.0447","0.0001","24.4986","0.0002","90","","113.562","0.001","90","","8282.12","0.11","150","0.3","150","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87 H72 B F24 O P2 Rh -","- C87 H72 B F24 O P2 Rh -","- C348 H288 B4 F96 O4 P8 Rh4 -","4","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","x-ray","1.54184","CuKα","","0.0384","0.0306","","","0.0753","0.0801","","","","","","1.021","","","","has coordinates,has disorder","265490","2021-05-26","01:14:14",""
"1562855","20.5769","0.0002","16.5065","0.0001","24.064","0.0002","90","","110.108","0.001","90","","7675.2","0.12","150","0.3","150","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H64 B F24 O2 P2 Rh -","- C81 H64 B F24 O2 P2 Rh -","- C324 H256 B4 F96 O8 P8 Rh4 -","4","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","x-ray","1.54184","CuKα","","0.0522","0.0438","","","0.1162","0.1242","","","","","","1.03","","","","has coordinates,has disorder","265490","2021-05-26","01:14:14",""
"1562856","13.4274","0.0002","13.6083","0.0002","21.8679","0.0003","106.362","0.001","96.945","0.001","91.235","0.001","3799.34","0.1","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C83 H62 B F25 O P2 Rh -","- C83 H62 B F25 O P2 Rh -","- C166 H124 B2 F50 O2 P4 Rh2 -","2","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","","1.54184","CuKα","","0.0451","0.0428","","","0.1139","0.1162","","","","","","1.037","","","","has coordinates,has disorder","265490","2021-05-26","01:14:14",""
"1562857","14.2087","0.0006","17.3935","0.0005","18.5698","0.0006","114.334","0.003","98.207","0.003","103.273","0.003","3921.4","0.3","150.01","0.1","150","","","","","","","","","8","P -1","-P 1","2","","","","- C83 H72 B2 F24 N O P2 Rh -","- C83 H72 B2 F24 N O P2 Rh -","- C166 H144 B4 F48 N2 O2 P4 Rh2 -","2","1","","Race, James; Burnage, Arron; Boyd, Timothy M.; Heyam, Alex; Martinez-Martinez, Antonio J.; Macgregor, Stuart Alan; Weller, Andrew S.","Ortho-aryl substituted DPEphos ligands: Rhodium Complexes Featuring C‒H Anagostic Interactions and B‒H Agostic Bonds.","Chemical Science","2021","","","","","10.1039/D1SC01430G","","","1.54184","CuKα","","0.0753","0.051","","","0.1284","0.144","","","","","","1.016","","","","has coordinates,has disorder","265490","2021-05-26","01:14:14",""
"1562858","13.088","0.0018","13.8413","0.0018","22.771","0.003","75.588","0.005","76.138","0.004","74.316","0.004","3780.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-methylimidazole)[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-\ nicotinamidophenyl)porphinato]iron(II)‒1-methylimidazole‒tetrahydrofuran (1/1/1.5)","","- C86 H74 Fe N18 O5.5 -","- C86 H74 Fe N18 O5.5 -","- C172 H148 Fe2 N36 O11 -","2","1","BH4061","Fan, Yingying; Li, Jianfeng","Bis(1-methylimidazole)[<i>meso</i>-α,α,α,α-tetrakis(<i>o</i>-nicotinamidophenyl)porphinato]iron(II)‒1-methylimidazole‒tetrahydrofuran (1/1/1.5)","IUCrData","2021","6","5","","","10.1107/S2414314621005319","","","0.71073","MoKα","","0.1024","0.0701","","","0.1943","0.2187","","","","","","1.032","","","","has coordinates,has Fobs","265500","2021-05-26","05:38:00",""
"1562887","11.2412","0.0002","6.9608","0.0001","15.8191","0.0004","90","","96.779","0.002","90","","1229.16","0.04","99.9","0.9","99.9","0.9","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H40 O3 -","- C28 H40 O3 -","- C56 H80 O6 -","2","1","","Zhang, Wenge; Lu, Xiuxiang; Huo, Luqiong; Zhang, Sha; Chen, Yan; Zou, Zhenxing; Tan, Haibo","Sesquiterpenes and Steroids from an Endophytic <i>Eutypella scoparia</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01167","","x-ray","1.54184","CuKα","","0.0488","0.0427","","","0.1097","0.1139","","","","","","1.043","","","","has coordinates","265507","2021-05-26","23:09:22",""
"1562888","11.9979","0.0001","7.3887","0.0001","16.0537","0.0002","90","","102.2","0.001","90","","1391","0.03","106","8","106","8","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O2 -","- C31 H50 O2 -","- C62 H100 O4 -","2","1","","Zhang, Wenge; Lu, Xiuxiang; Huo, Luqiong; Zhang, Sha; Chen, Yan; Zou, Zhenxing; Tan, Haibo","Sesquiterpenes and Steroids from an Endophytic <i>Eutypella scoparia</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01167","","x-ray","1.54184","CuKα","","0.0387","0.0357","","","0.0914","0.093","","","","","","1.051","","","","has coordinates","265508","2021-05-26","23:09:44",""
"1562889","11.4643","0.0002","11.4643","0.0002","16.5327","0.0004","90","","90","","120","","1881.78","0.07","297","2","297","2","","","","","","","","3","P 31","P 31","144","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C78 H90 O27 -","3","1","","Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun","Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00021","","","1.54178","CuKα","","0.0337","0.0326","","","0.0995","0.1024","","","","","","0.712","","","","has coordinates","265509","2021-05-26","23:10:06",""
"1562890","7.5511","0.0003","14.0211","0.0005","7.6587","0.0003","90","","114.495","0.001","90","","737.88","0.05","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O6 -","- C15 H24 O6 -","- C30 H48 O12 -","2","1","","Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun","Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00021","","","1.54178","CuKα","","0.0282","0.028","","","0.0811","0.0813","","","","","","1","","","","has coordinates","265510","2021-05-26","23:10:29",""
"1562891","8.548","0.004","11.424","0.003","12.563","0.003","90","","91.3","0.03","90","","1226.5","0.7","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O9 -","- C26 H32 O9 -","- C52 H64 O18 -","2","1","","Fang, Sheng-Tao; Liu, Xiang-Hong; Yan, Bing-Fei; Miao, Feng-Ping; Yin, Xiu-Li; Li, Wen-Zuo; Ji, Nai-Yun","Terpenoids from the Marine-Derived Fungus <i>Aspergillus</i> sp. RR-YLW-12, Associated with the Red Alga <i>Rhodomela confervoides</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00021","","","1.54178","CuKα","","0.1229","0.0407","","","0.117","0.1726","","","","","","1.23","","","","has coordinates","265511","2021-05-26","23:10:51",""
"1562892","7.3339","0.0001","11.0182","0.0002","20.2959","0.0004","90","","90","","90","","1640.04","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Cheng, Gui-Guang; Liu, Ya-Ping; Gu, Ji; Qian, Sheng-Yan; Yang, Hong-Jun; Na, Zhong-Yuan; Luo, Xiao-Dong","Phytochemicals and Allelopathy of Induced Water Hyacinth against <i>Microcystis aeruginosa</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00075","","","1.54178","CuKα","","0.0535","0.0506","","","0.1398","0.141","","","","","","1.065","","","","has coordinates","265512","2021-05-26","23:11:49",""
"1562893","9.4652","0.0009","9.6082","0.0009","24.647","0.003","90","","90.999","0.003","90","","2241.1","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O2 Os -","- C25 H28 Cl N O2 Os -","- C100 H112 Cl4 N4 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.0626","0.0404","","","0.0712","0.0798","","","","","","0.969","","","","has coordinates","268493","2021-09-06","08:48:31",""
"1562894","6.961","0.003","19.454","0.007","16.217","0.006","90","","95.607","0.008","90","","2185.6","1.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 N2 O2 Os -","- C26 H16 Cl2 N2 O2 Os -","- C104 H64 Cl8 N8 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.1337","0.0765","","","0.127","0.1488","","","","","","1.072","","","","has coordinates","268493","2021-09-06","08:48:42",""
"1562895","5.8533","0.0012","7.9653","0.0017","34.781","0.008","90","","90","","90","","1621.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Nelson, Eryn; Formen, Jeffrey S. S. K.; Wolf, Christian","Rapid Organocatalytic Chirality Analysis of Amines, Amino Acids, Alcohols, Amino Alcohols and Diols with Achiral Iso(thio)cyanate Probes","Chemical Science","2021","","","","","10.1039/D1SC02061G","","","0.71073","MoKα","","0.0364","0.032","","","0.0737","0.076","","","","","","1.06","","","","has coordinates","265514","2021-05-27","01:02:11",""
"1562896","4.6413","0.0001","11.0456","0.0003","13.6158","0.0004","90","","96.422","0.002","90","","693.65","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","","Nelson, Eryn; Formen, Jeffrey S. S. K.; Wolf, Christian","Rapid Organocatalytic Chirality Analysis of Amines, Amino Acids, Alcohols, Amino Alcohols and Diols with Achiral Iso(thio)cyanate Probes","Chemical Science","2021","","","","","10.1039/D1SC02061G","","","1.54178","CuKα","","0.0471","0.0459","","","0.1259","0.1272","","","","","","1.065","","","","has coordinates","265514","2021-05-27","01:02:11",""
"1562940","14.8723","0.0011","9.839","0.0009","16.6022","0.0012","90","","113.386","0.003","90","","2229.8","0.3","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B N O2 -","- C24 H40 B N O2 -","- C96 H160 B4 N4 O8 -","4","1","","Yang, Li; Zhang, Yao-Yao; Yang, Guan-Wen; Xie, Rui; Wu, Guang-Peng","Controlled Ring-Opening Polymerization of β-Butyrolactone Via Bifunctional Organoboron Catalysts","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00250","","","0.71073","MoKα","","0.0811","0.064","","","0.1629","0.1773","","","","","","1.056","","","","has coordinates,has disorder","265560","2021-05-27","23:41:57",""
"1562941","13.1732","0.0009","6.5528","0.0005","15.2376","0.0011","90","","105.385","0.001","90","","1268.2","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Watson, Donald; Gao, Run-Duo; Shular, Scott","Tandem Aza-Heck Suzuki and Carbonylation Reactions of O-Phenyl Hydroxamic Ethers: Complex Lactams via Carboamination","Chemical Science","2021","","","","","10.1039/D1SC02075G","","","0.71073","MoKα","","0.0436","0.0396","","","0.109","0.1133","","","","","","1.081","","","","has coordinates","265566","2021-05-28","01:05:52",""
"1562942","15.3278","0.0015","5.7994","0.0006","17.8481","0.0017","90","","103.677","0.001","90","","1541.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Watson, Donald; Gao, Run-Duo; Shular, Scott","Tandem Aza-Heck Suzuki and Carbonylation Reactions of O-Phenyl Hydroxamic Ethers: Complex Lactams via Carboamination","Chemical Science","2021","","","","","10.1039/D1SC02075G","","","0.71073","MoKα","","0.0537","0.0473","","","0.1358","0.1431","","","","","","1.041","","","","has coordinates","265566","2021-05-28","01:06:01",""
"1562943","11.9474","0.0005","13.1954","0.0005","13.9109","0.0006","65.097","0.001","73.267","0.002","76.047","0.002","1886.7","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21.5 H18.5 Cl1.5 N2 O2 -","- C21.5 H18.5 Cl1.5 N2 O2 -","- C86 H74 Cl6 N8 O8 -","4","2","","Watson, Donald; Gao, Run-Duo; Shular, Scott","Tandem Aza-Heck Suzuki and Carbonylation Reactions of O-Phenyl Hydroxamic Ethers: Complex Lactams via Carboamination","Chemical Science","2021","","","","","10.1039/D1SC02075G","","","1.54178","CuKα","","0.0524","0.0497","","","0.1349","0.1376","","","","","","1.098","","","","has coordinates,has disorder","265566","2021-05-28","01:06:01",""
"1562962","19.6265","0.0018","12.6274","0.0014","17.4555","0.0017","90","","120.196","0.007","90","","3739","0.7","170","","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl2 N3 O2 -","- C21 H17 Cl2 N3 O2 -","- C168 H136 Cl16 N24 O16 -","8","1","","Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao","Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00398","","","0.71073","MoKα","","0.0698","0.0432","","","0.088","0.0984","","","","","","1.048","","","","has coordinates","265597","2021-05-28","23:24:17",""
"1562963","9.9578","0.0009","11.0634","0.001","12.0224","0.001","82.132","0.003","78.467","0.003","81.112","0.003","1274.4","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl5 N3 O3 -","- C24 H22 Cl5 N3 O3 -","- C48 H44 Cl10 N6 O6 -","2","1","","Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao","Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00398","","","0.71073","MoKα","","0.1476","0.0655","","","0.09","0.1178","","","","","","1.061","","","","has coordinates","265598","2021-05-28","23:24:43",""
"1562964","10.138","0.004","14.487","0.006","25.836","0.008","90","","96.065","0.01","90","","3773","2","299","","299","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl2 N3 O3 -","- C20 H17 Cl2 N3 O3 -","- C160 H136 Cl16 N24 O24 -","8","2","","Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao","Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00398","","","0.71073","MoKα","","0.1688","0.0819","","","0.2027","0.2609","","","","","","1.031","","","","has coordinates","265599","2021-05-28","23:25:12",""
"1562965","21.8663","0.0014","13.134","0.0009","23.2675","0.0016","90","","94.217","0.002","90","","6664.1","0.8","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.33333 H16.33333 Cl3 F3 N3 O2 -","- C20.3333 H16.3333 Cl3 F3 N3 O2 -","- C244 H196 Cl36 F36 N36 O24 -","12","3","","Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao","Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP–AMP Synthase","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00398","","","0.71073","MoKα","","0.1822","0.0762","","","0.1687","0.2289","","","","","","1.016","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1562966","12.9023","0.0017","12.742","0.0014","18.9596","0.0019","90","","103.842","0.004","90","","3026.5","0.6","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 N3 O4 -","- C21 H21 Cl2 N3 O4 -","- C126 H126 Cl12 N18 O24 -","6","3","","Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao","Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase","Journal of Medicinal Chemistry","2021","","","","","10.1021/acs.jmedchem.1c00398","","","0.71073","MoKα","","0.1713","0.0998","","","0.2061","0.2543","","","","","","1.075","","","","has coordinates,has disorder","265601","2021-05-28","23:26:19",""
"1562967","6.919","0.002","9.653","0.003","19.319","0.006","90","","90","","90","","1290.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","HB4383","Yang, Xing; Long, Sihui","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","IUCrData","2021","6","5","x210539","","10.1107/S2414314621005393","","","0.71073","MoKα","","0.0783","0.0475","","","0.1256","0.1441","","","","","","1.011","","","","has coordinates,has Fobs","265615","2021-05-29","05:36:01",""
"1563058","21.4576","0.0012","4.4693","0.0003","14.9836","0.0009","90","","123.3","0.003","90","","1201","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cd I2 N2 -","- C10 H10 Cd I2 N2 -","- C40 H40 Cd4 I8 N8 -","4","0.5","","Roy, Krittish; Jana, Srikanta; Mallick, Zinnia; Ghosh, Sujoy Kumar; Dutta, Basudeb; Sarkar, Subrata; Sinha, Chittaranjan; Mandal, Dipankar","Two-Dimensional MOF Modulated Fiber Nanogenerator for Effective Acoustoelectric Conversion and Human Motion Detection","Langmuir","2021","","","","","10.1021/acs.langmuir.1c00700","","","0.71073","MoKα","","0.0243","0.0232","","","0.0605","0.0612","","","","","","1.024","","","","has coordinates","265658","2021-06-01","23:52:34",""
"1563059","15.649","0.002","14.575","0.002","12.3068","0.0018","90","","108.364","0.006","90","","2664","0.6","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Mn2 Mo N12 O8 -","- C14 H16 Mn2 Mo N12 O8 -","- C56 H64 Mn8 Mo4 N48 O32 -","4","0.5","","Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid","Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer","Chemical Science","2021","","","","","10.1039/D1SC02060A","","","0.71073","MoKα","","0.06","0.0416","","","0.0926","0.1014","","","","","","1.049","","","","has coordinates,has disorder","265660","2021-06-02","01:17:55",""
"1563060","16.4048","0.0006","12.9596","0.0006","12.1716","0.0005","90","","119.34","0.002","90","","2255.75","0.17","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Mn2 Mo N12 O2 -","- C14 H8 Mn2 Mo N12 O2 -","- C56 H32 Mn8 Mo4 N48 O8 -","4","0.5","","Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid","Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer","Chemical Science","2021","","","","","10.1039/D1SC02060A","powder diffraction","x-ray","1.5418","CuKa","","0.0875","0.0875","","0.0976","0.0975","","","","0.78","","","","","","","has coordinates","265660","2021-06-02","01:17:59",""
"1563061","10.4152","0.0006","10.4382","0.0006","12.0481","0.0008","74.301","0.004","67.315","0.003","75.015","0.004","1145.74","0.12","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Mn2 Mo N12 O3 -","- C14 H8 Mn2 Mo N12 O3 -","- C28 H16 Mn4 Mo2 N24 O6 -","2","1","","Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid","Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer","Chemical Science","2021","","","","","10.1039/D1SC02060A","powder diffraction","x-ray","1.5418","CuKa","","0.0937","0.0769","","0.0837","0.0686","","","","0.57","","","","","","","has coordinates","287886","2023-11-30","13:23:35",""
"1563062","15.8209","0.0011","14.7258","0.0009","12.4024","0.0007","90","","108.213","0.002","90","","2744.7","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cd2 Mo N12 O8 -","- C14 H20 Cd2 Mo N12 O8 -","- C56 H80 Cd8 Mo4 N48 O32 -","4","0.5","","Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid","Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer","Chemical Science","2021","","","","","10.1039/D1SC02060A","","","0.71073","MoKα","","0.0451","0.0359","","","0.0789","0.0831","","","","","","1.061","","","","has coordinates,has disorder","265660","2021-06-02","01:18:00",""
"1563063","9.8543","0.0005","10.0005","0.0005","10.8395","0.0006","95.383","0.01","103.956","0.009","103.284","0.006","996.27","0.11","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Mn2 Mo N12 -","- C14 H8 Mn2 Mo N12 -","- C28 H16 Mn4 Mo2 N24 -","2","1","","Magott, Michal; Gaweł, Bartłomiej A.; Sarewicz, Marcin; Reczyński, Mateusz; Ogorzały, Karolina; Makowski, Wacław; Pinkowicz, Dawid","Large breathing effect induced by water sorption in a remarkably stable nonporous cyanide-bridged coordination polymer","Chemical Science","2021","","","","","10.1039/D1SC02060A","powder diffraction","x-ray","1.5418","CuKa","","0.046","0.0455","","0.0519","0.0517","","","","0.41","","","","","","","has coordinates","265660","2021-06-02","01:18:00",""
"1563092","28.1451","0.0014","28.482","0.0015","36.1611","0.0009","90","","90","","90","","28988","2","104","7","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Cr7NiF8(O2CBu)16](ImCH2NH2(CH2)2C6H5)[Cu(O2C5HF6)2OCCH3]","","- C102 H162.41 Cr8 Cu F20 N3 O36.2 -","- C102 H162.378 Cr8 Cu F20 N3 O36.189 -","- C816 H1299.02 Cr64 Cu8 F160 N24 O289.512 -","8","1","","Lockyer, Selena; Chiesa, Alessandro; Timco, Grigore A.; Bennett, Thomas M.; Vitorica-Yrzebal, Inigo; McInnes, Eric J. L.; Carretta, Stefano; Winpenny, Richard E. P.","Targeting Molecular Quantum Memory with Embedded Error Correction","Chemical Science","2021","","","","","10.1039/D1SC01506K","","","1.54184","CuKα","","0.1015","0.0779","","","0.2275","0.2469","","","","","","1.116","","","","has coordinates,has disorder","265687","2021-06-03","01:09:28",""
"1563093","20.388","0.0001","29.9713","0.0002","24.0737","0.0002","90","","90.436","0.001","90","","14709.9","0.17","100","0.1","293.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[Cr7NiF(O2CBu)16](pyCH2CH2NH2CH2C6H4SCH3)[Cu(O2C5HF6)2OCCH3)]","","- C108.2 H173.6 Cr7 Cu F20 N3 Ni O37.73 S -","- C108.202 H173.606 Cr7 Cu F20 N3 Ni O37.734 S -","- C432.808 H694.424 Cr28 Cu4 F80 N12 Ni4 O150.936 S4 -","4","1","","Lockyer, Selena; Chiesa, Alessandro; Timco, Grigore A.; Bennett, Thomas M.; Vitorica-Yrzebal, Inigo; McInnes, Eric J. L.; Carretta, Stefano; Winpenny, Richard E. P.","Targeting Molecular Quantum Memory with Embedded Error Correction","Chemical Science","2021","","","","","10.1039/D1SC01506K","","","1.54184","CuKα","","0.0717","0.0581","","","0.153","0.1621","","","","","","1.048","","","","has coordinates,has disorder","265687","2021-06-03","01:09:32",""
"1563094","20.4253","0.0011","30.2613","0.0012","23.6931","0.0013","90","","90.912","0.005","90","","14642.8","1.3","100","0.7","100","0.7","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C206 H328 Cl12 Cr12.56 Cu F28 N4 Ni2 O68 S2 -","- C206 H328 Cl12 Cr12.56 Cu F28 N4 Ni2 O68 S2 -","- C412 H656 Cl24 Cr25.12 Cu2 F56 N8 Ni4 O136 S4 -","2","0.5","","Lockyer, Selena; Chiesa, Alessandro; Timco, Grigore A.; Bennett, Thomas M.; Vitorica-Yrzebal, Inigo; McInnes, Eric J. L.; Carretta, Stefano; Winpenny, Richard E. P.","Targeting Molecular Quantum Memory with Embedded Error Correction","Chemical Science","2021","","","","","10.1039/D1SC01506K","","x-ray","1.54184","CuKα","","0.1578","0.0919","","","0.2485","0.2936","","","","","","1.042","","","","has coordinates,has disorder","265687","2021-06-03","01:09:41",""
"1563131","36.1891","0.0003","13.7667","0.0001","33.3782","0.0003","90","","107.739","0.001","90","","15838.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 Cl2 F8 Fe N3 -","- C85 H71 Cl2 F8 Fe N3 -","- C680 H568 Cl16 F64 Fe8 N24 -","8","2","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0619","0.0467","","","0.1191","0.133","","","","","","1.051","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563132","14.6606","0.0003","14.6606","0.0003","22.0189","0.0005","90","","90","","120","","4098.55","0.15","169.99","0.1","169.99","0.1","","","","","","","","6","P 31","P 31","144","","","","- C57 H51 Cl2 F4 Fe N3 -","- C57 H51 Cl2 F4 Fe N3 -","- C171 H153 Cl6 F12 Fe3 N9 -","3","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0703","0.0494","","","0.1173","0.1315","","","","","","1.038","","","","has coordinates","268491","2021-09-06","08:47:43",""
"1563133","20.1017","0.0005","15.0497","0.0003","18.8974","0.0005","90","","117.144","0.003","90","","5087.3","0.3","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Cl4 F4 Fe N3 -","- C58 H53 Cl4 F4 Fe N3 -","- C232 H212 Cl16 F16 Fe4 N12 -","4","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.092","0.0799","","","0.2087","0.2188","","","","","","1.036","","","","has coordinates","268491","2021-09-06","08:47:56",""
"1563134","16.42","0.08","20.342","0.012","21.545","0.017","83.045","0.014","80.54","0.08","67.32","0.11","6536","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C79 H88 O12 -","- C79 H88 O12 -","- C316 H352 O48 -","4","2","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.145","0.0962","","","0.2623","0.3057","","","","","","1.017","","","","has coordinates,has disorder","265765","2021-06-04","01:05:36",""
"1563135","10.909","0.005","34.548","0.003","18.627","0.0007","90","","91.334","0.006","90","","7018","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C85 H100 O10 -","- C85 H100 O10 -","- C340 H400 O40 -","4","1","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.0999","0.0762","","","0.1869","0.2038","","","","","","1.093","","","","has coordinates","265765","2021-06-04","01:05:38",""
"1563136","19.35","0.004","19.423","0.004","21.727","0.004","96.66","0.03","90.16","0.03","95.39","0.03","8074","3","100","2","100","2","","","","","","","synthetic","4","P -1","-P 1","2","","","","- C91.775 H99.55 Cl3.55 O12 -","- C90 H96 O12 -","- C360 H384 O48 -","4","2","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.0987","0.0684","","","0.1895","0.2133","","","","","","1.027","","","","has coordinates,has disorder","265765","2021-06-04","01:05:38",""
"1563137","13.308","0.009","30.108","0.018","23.23","0.03","90","","104.36","0.16","90","","9017","16","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C109 H128 O12 -","- C109 H128 O12 -","- C436 H512 O48 -","4","0.5","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.1362","0.0912","","","0.2549","0.2983","","","","","","1.036","","","","has coordinates,has disorder","265765","2021-06-04","01:05:38",""
"1563138","21.686","0.011","22.528","0.01","22.906","0.007","81.367","0.006","80.862","0.014","68.83","0.03","10250","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102.1 H86.2 B Cl2.2 F24 N O10 -","- C101 H84 B F24 N O10 -","- C404 H336 B4 F96 N4 O40 -","4","2","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.2416","0.1565","","","0.3939","0.4607","","","","","","1.197","","","","has coordinates","265765","2021-06-04","01:05:38",""
"1563139","38.56","0.03","17.306","0.002","22.875","0.007","90","","120.862","0.015","90","","13103","11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C137.7 H105.4 B2 Cl1.4 F48 N2 O10 -","- C137.7 H105.4 B2 Cl1.4 F48 N2 O10 -","- C550.8 H421.6 B8 Cl5.6 F192 N8 O40 -","4","0.5","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.0959","0.0646","","","0.1691","0.202","","","","","","1.029","","","","has coordinates,has disorder","265765","2021-06-04","01:05:39",""
"1563140","34.824","0.014","30.1","0.03","26.489","0.007","90","","90","","90","","27766","3","100","2","100","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C121.57 H111.15 B Cl7.15 F24 N O12 -","- C118 H104 B F24 N O12 -","- C944 H832 B8 F192 N8 O96 -","8","0.5","","DELLA SALA, PAOLO; Del Regno, Rocco; Di Marino, Luca; Calabrese, Carmela; Palo, Carmine; Talotta, Carmen; Geremia, Silvano; Hickey, Neal; Capobianco, Amedeo; Neri, Placido; Gaeta, Carmine","An Intramolecularly Self-Templated Synthesis of Macrocycles: The Self-Filling Effects on the Formation of Prismarenes","Chemical Science","2021","","","","","10.1039/D1SC02199K","","x-ray","0.7","Synchrotron","","0.1959","0.176","","","0.4399","0.4581","","","","","","1.607","","","","has coordinates,has disorder","265765","2021-06-04","01:05:39",""
"1563141","15.66789","0.00014","17.47136","0.00016","24.16489","0.00019","90","","93.6596","0.0008","90","","6601.39","0.1","140","0.1","140","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H100 K N5 O6 Si6 U -","- C50 H100 K N5 O6 Si6 U -","- C200 H400 K4 N20 O24 Si24 U4 -","4","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0306","0.0273","","","0.0648","0.0665","","","","","","1.04","","","","has coordinates","265778","2021-06-04","10:52:10",""
"1563142","22.6297","0.0005","23.9733","0.0005","23.9063","0.0005","90","","92.9909","0.0018","90","","12951.7","0.5","139.9","0.6","139.9","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C384 H800 K8 N56 O48 Si48 U8 -","8","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.0934","0.0502","","","0.1186","0.1328","","","","","","0.841","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563143","11.477","0.0003","16.679","0.0008","19.0067","0.0008","103.478","0.004","101.463","0.003","90.908","0.003","3460.2","0.2","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48 H100 K N7 O6 Si6 U -","- C48 H100 K N7 O6 Si6 U -","- C96 H200 K2 N14 O12 Si12 U2 -","2","1","","Modder, Dieuwertje K.; Palumbo, Chad T.; Douair, Iskander; Scopelliti, Rosario; Maron, Laurent; Mazzanti, Marinella","Single metal four-electron reduction by U(ii) and masked ""U(ii)"" compounds.","Chemical science","2021","12","17","6153","6158","10.1039/d1sc00668a","","x-ray","1.54184","CuKα","","0.1104","0.1069","","","0.2799","0.2818","","","","","","1.147","","","","has coordinates","265778","2021-06-04","10:52:11",""
"1563144","6.0066","0.0001","13.4882","0.0001","30.9882","0.0004","90","","90","","90","","2510.61","0.06","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 O9 -","- C29 H30 O9 -","- C116 H120 O36 -","4","1","","Li, Xiaoxia; Wu, Ping; Li, Hanxiang; Xue, Jinghua; Xu, Hanhong; Wei, Xiaoyi","Antibacterial and Cytotoxic Phenyltetracenoid Polyketides from <i>Streptomyces morookaense</i>.","Journal of natural products","2021","84","6","1806","1815","10.1021/acs.jnatprod.1c00208","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","266970","2021-07-04","01:46:12",""
"1563145","8.7239","0.0011","8.507","0.007","6.5045","0.0013","90","","90.697","0.016","90","","482.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1226","0.0865","","","0.2169","0.2619","","","","","","1.105","","","","has coordinates","266973","2021-07-04","01:49:53",""
"1563146","8.327","0.0011","9.205","0.008","8.4719","0.0014","90","","90.299","0.014","90","","649.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1248","0.083","","","0.1989","0.2502","","","","","","1.052","","","","has coordinates","266973","2021-07-04","01:50:01",""
"1563147","8.8127","0.0009","8.643","0.006","6.5945","0.0015","90","","90.534","0.011","90","","502.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.1189","0.0939","","","0.2495","0.2946","","","","","","1.143","","","","has coordinates","266973","2021-07-04","01:50:01",""
"1563148","8.83268","0.00013","8.7958","0.001","6.92308","0.00016","90","","90.0647","0.0017","90","","537.86","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0846","0.0475","","","0.102","0.1453","","","","","","1.162","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563149","8.2829","0.0005","9.301","0.005","8.7479","0.001","90","","90.324","0.008","90","","673.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0623","0.0441","","","0.0922","0.1269","","","","","","1.201","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563150","8.3477","0.0004","9.3692","0.0019","8.9074","0.0004","90","","90.318","0.003","90","","696.65","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.2903","synchrotron","","0.0328","0.0285","","","0.0652","0.0688","","","","","","1.026","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563151","8.5901","0.0017","8.483","0.008","6.464","0.002","90","","89.13","0.03","90","","471","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.2117","0.1357","","","0.3502","0.4337","","","","","","1.318","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563152","8.8272","0.0003","8.735","0.002","6.8311","0.0004","90","","90.177","0.004","90","","526.71","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.2082","0.1296","","","0.2798","0.3443","","","","","","1.149","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563153","8.7767","0.0005","8.564","0.004","6.5417","0.0005","90","","90.501","0.006","90","","491.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0779","0.0643","","","0.165","0.1768","","","","","","1.083","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563154","8.3189","0.0002","9.3438","0.0015","8.8428","0.0003","90","","90.322","0.002","90","","687.34","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0288","0.0243","","","0.0517","0.0575","","","","","","1.121","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563155","8.2768","0.0002","9.2699","0.0016","8.6896","0.0003","90","","90.34","0.003","90","","666.7","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0632","0.046","","","0.1204","0.154","","","","","","1.121","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563156","8.8562","0.0003","8.672","0.003","6.6496","0.0005","90","","90.452","0.004","90","","510.68","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr -","- Al8 O32 Si8 Sr4 -","4","1","","Gorelova, Liudmila A.; Pakhomova, Anna S.; Krzhizhanovskaya, Maria G.; Pankin, Dmitrii V.; Krivovichev, Sergey V.; Dubrovinsky, Leonid S.; Kasatkin, Anatoly V.","Crystal Structure Evolution of Slawsonite SrAl2Si2O8 and Paracelsian BaAl2Si2O8 upon Compression and Decompression","The Journal of Physical Chemistry C","2021","125","23","13014","13023","10.1021/acs.jpcc.1c02949","","","0.41106","synchrotron","","0.0836","0.0676","","","0.175","0.1933","","","","","","1.093","","","","has coordinates","266973","2021-07-04","01:50:02",""
"1563157","11.4016","0.0003","9.5092","0.0002","19.0932","0.0004","90","","96.95","0.002","90","","2054.88","0.08","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N3 O2 -","- C23 H25 N3 O2 -","- C92 H100 N12 O8 -","4","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0498","0.0452","","","0.1244","0.1321","","","","","","1.043","","","","has coordinates,has disorder","265817","2021-06-05","01:22:52",""
"1563158","6.12164","0.00016","18.5825","0.0005","11.369","0.0002","90","","97.117","0.002","90","","1283.32","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C68 H44 F4 O8 -","4","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0369","0.0328","","","0.0881","0.092","","","","","","1.035","","","","has coordinates","265817","2021-06-05","01:22:53",""
"1563159","10.40586","0.00017","28.8016","0.0004","11.4833","0.0002","90","","109.194","0.0018","90","","3250.29","0.1","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 -","- C18 H21 N3 O2 -","- C144 H168 N24 O16 -","8","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0417","0.0371","","","0.1105","0.1136","","","","","","1.068","","","","has coordinates","265817","2021-06-05","01:22:53",""
"1563160","5.82517","0.00017","19.3273","0.0005","11.7017","0.0003","90","","92.745","0.003","90","","1315.92","0.06","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 Cl F O2 -","- C17 H10 Cl F O2 -","- C68 H40 Cl4 F4 O8 -","4","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0381","0.0333","","","0.088","0.0903","","","","","","1.043","","","","has coordinates","265817","2021-06-05","01:22:53",""
"1563161","10.4488","0.0006","13.1778","0.0008","15.6415","0.001","109.27","0.006","97.031","0.005","111.857","0.006","1811.5","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0859","0.0654","","","0.1676","0.1839","","","","","","1.092","","","","has coordinates","265817","2021-06-05","01:22:53",""
"1563162","6.16235","0.00012","18.5749","0.0004","11.4059","0.0002","90","","97.2906","0.0017","90","","1295.02","0.04","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H10 F2 O2 -","- C17 H10 F2 O2 -","- C68 H40 F8 O8 -","4","1","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0352","0.0313","","","0.0784","0.0822","","","","","","1.044","","","","has coordinates","265817","2021-06-05","01:22:53",""
"1563163","7.9105","0.0003","9.8857","0.0003","17.563","0.0004","83.587","0.002","81.245","0.003","85.103","0.003","1345.67","0.07","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C68 H44 Cl4 O8 -","4","2","","Tan, Jin-Fay; Bormann, Carl Thomas; Severin, Kay; Cramer, Nicolai","Alkynyl Triazenes Enable Divergent Syntheses of 2-Pyrones","Chemical Science","2021","","","","","10.1039/D1SC02583J","","x-ray","1.54184","CuKα","","0.0412","0.0347","","","0.0888","0.0938","","","","","","1.027","","","","has coordinates","265817","2021-06-05","01:22:53",""
"1563164","8.306","0.0001","15.1608","0.0002","22.8838","0.0003","90","","90","","90","","2881.66","0.06","294","3","294","3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 O3 S -","- C18 H12 O3 S -","- C144 H96 O24 S8 -","8","1","","Chen, Junru; Chen, Xiaojie; Liu, Yanyan; Li, Yang; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","A color-tunable single-component luminescent molecule with multiple emission centers","Chemical Science","2021","","","","","10.1039/D1SC02094C","","x-ray","1.54184","CuKα","","0.0563","0.054","","","0.1348","0.1379","","","","","","1.084","","","","has coordinates","265818","2021-06-05","01:23:58",""
"1563165","11.44","0.002","7.6431","0.0014","16.451","0.003","90","","95.999","0.006","90","","1430.5","0.4","298","2","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 O3 S -","- C18 H12 O3 S -","- C72 H48 O12 S4 -","4","1","","Chen, Junru; Chen, Xiaojie; Liu, Yanyan; Li, Yang; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Chi, Zhenguo","A color-tunable single-component luminescent molecule with multiple emission centers","Chemical Science","2021","","","","","10.1039/D1SC02094C","","","0.71075","MoKα","","0.1672","0.0715","","","0.117","0.1469","","","","","","1.015","","","","has coordinates","265818","2021-06-05","01:23:59",""
"1563166","9.652","0.003","14.867","0.006","17.914","0.006","94.222","0.007","103.853","0.005","100.292","0.004","2437.4","1.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)bis(4-{(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate","","- C33.33333 H40 Br2 N4 O0.66667 -","- C33.3333 H40 Br2 N4 O0.666667 -","- C100 H120 Br6 N12 O2 -","3","1.5","HB4370","Wang, Shengnan; Liu, Gang; Wu, Zhichao","1,1'-(Ethane-1,2-diyl)bis(4-{(<i>E</i>)-2-[4-(dimethylamino)phenyl]ethenyl}pyridin-1-ium) dibromide ethanol 0.67-solvate","IUCrData","2021","6","6","x210396","","10.1107/S2414314621003965","","","0.71073","MoKα","","0.1186","0.0524","","","0.1231","0.1528","","","","","","0.963","","","","has coordinates,has Fobs","277994","2022-09-20","08:32:41",""
"1563167","6.4973","0.0002","11.5323","0.0005","11.2908","0.0005","90","","91.5","0.004","90","","845.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","PK4034","Gao, Jun; Long, Sihui","Ethyl 4-oxo-1,4-dihydropyridine-3-carboxylate","IUCrData","2021","6","6","","","10.1107/S2414314621005551","","x-ray","1.54184","CuKα","","0.0512","0.0464","","","0.1249","0.1292","","","","","","1.108","","","","has coordinates,has Fobs","265828","2021-06-05","05:46:47",""
"1563168","17.059","0.001","8.7467","0.0004","18.855","0.001","90","","111.468","0.004","90","","2618.2","0.2","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate","1-Ethoxy-1-oxopropan-2-aminium tetracyanoborate","","- C9 H12 B N5 O2 -","- C9 H12 B N5 O2 -","- C72 H96 B8 N40 O16 -","8","2","HB4385","Peppel, Tim; Köckerling, Martin","(<i>S</i>)-Alanine ethyl ester tetracyanidoborate, (C~5~H~12~NO)[B(CN)~4~]","IUCrData","2021","6","6","x210562","","10.1107/S2414314621005629","","","0.71073","MoKα","","0.0857","0.0531","","","0.1155","0.1328","","","","","","1.003","","","","has coordinates,has Fobs","265829","2021-06-05","05:47:10",""
"1563169","14.6485","0.0005","19.2428","0.0006","7.5851","0.0003","90","","104.253","0.004","90","","2072.26","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O5 Zn -","- C21 H26 N4 O5 Zn -","- C84 H104 N16 O20 Zn4 -","4","1","","MITSUHASHI, Ryoji","Synthesis and Crystal Structure of Bis[2-(2-imidazolinyl)-6-methoxyphenolato]zinc(II)","X-ray Structure Analysis Online","2021","37","0","25","26","10.2116/xraystruct.37.25","","","0.71073","MoKα","","0.0402","0.0304","","","0.0801","0.0833","","","","","","1.063","","","","has coordinates","266184","2021-06-05","19:39:26",""
"1563170","8.3368","0.0002","8.9193","0.0002","16.7407","0.0004","79.659","0.002","77.822","0.002","78.551","0.002","1180.22","0.05","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H19 B2 F8 N S2 -","- C21 H19 B2 F8 N S2 -","- C42 H38 B4 F16 N2 S4 -","2","1","","FUJII, Takayoshi; KURIBAYASHI, Megumi; KUBO, Kanji","Crystal Structure of 1,3-Diphenyl-2,3-dihydro-1<i>H</i>-benzo[<i>d</i>][1,3]dithiole-1,3-dinium Bis(tetrafluoroborate) Acetonitrile Solvate","X-ray Structure Analysis Online","2021","37","0","21","23","10.2116/xraystruct.37.21","","x-ray","0.71073","MoKα","","0.1012","0.077","","","0.2373","0.2579","","","","","","1.075","","","","has coordinates","266185","2021-06-05","19:40:01",""
"1563171","10.532","0.0006","13.2619","0.0007","18.1118","0.001","70.883","0.005","74.056","0.005","85.86","0.004","2297.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H92 Co5 N2 O48 -","- C76 H52 Co5 O44 -","- C76 H52 Co5 O44 -","1","0.5","","Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei","Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2","Crystals","2021","11","6","574","","10.3390/cryst11060574","","","0.71073","MoKα","","0.1538","0.0847","","","0.1648","0.1883","","","","","","1.211","","","","has coordinates","266187","2021-06-06","00:06:52",""
"1563172","11.2564","0.0006","15.9785","0.0009","16.5583","0.001","62.347","0.006","73.527","0.005","70.219","0.005","2453.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H86 Co6 N2 O48 -","- C82 H52 Co6 N2 O46 -","- C82 H52 Co6 N2 O46 -","1","0.5","","Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei","Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2","Crystals","2021","11","6","574","","10.3390/cryst11060574","","","0.71073","MoKα","","0.1109","0.0663","","","0.1369","0.1559","","","","","","1.175","","","","has coordinates","266187","2021-06-06","00:07:04",""
"1563173","9.3972","0.0002","17.3629","0.0003","12.9511","0.0003","90","","97.019","0.002","90","","2097.3","0.08","300.48","0.1","300.48","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 N4 Ru -","- C16 H22 Cl2 N4 Ru -","- C64 H88 Cl8 N16 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","","0.71073","MoKα","","0.034","0.0274","","","0.06","0.0624","","","","","","1.032","","","","has coordinates","266194","2021-06-06","02:14:12",""
"1563174","11.7136","0.0004","10.34","0.0003","17.0882","0.0006","90","","101.06","0.004","90","","2031.26","0.12","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl4 N8 O2 Ru2 -","- C36 H52 Cl4 N8 O2 Ru2 -","- C72 H104 Cl8 N16 O4 Ru4 -","2","0.5","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","x-ray","0.71073","MoKα","","0.0348","0.0267","","","0.0591","0.0616","","","","","","1.045","","","","has coordinates","266195","2021-06-06","02:14:59",""
"1563175","6.832","0.0003","18.2051","0.0008","13.6361","0.0005","90","","90","","90","","1696.02","0.12","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H20 Cl2 N2 Ru -","- C17 H20 Cl2 N2 Ru -","- C68 H80 Cl8 N8 Ru4 -","4","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Samsonenko, Denis G.; Ermakova, Ekaterina A.; Klyushova, Lyubov S.; Baykov, Sergey V.; Boyarskiy, Vadim P.; Potapov, Andrei S.","Synthesis and Structural Characterization of Half-Sandwich Arene‒Ruthenium(II) Complexes with Bis(imidazol-1-yl)methane, Imidazole and Benzimidazole","Inorganics","2021","9","5","34","","10.3390/inorganics9050034","","","0.71073","MoKα","","0.0207","0.0193","","","0.0401","0.0406","","","","","","1.073","","","","has coordinates","266196","2021-06-06","02:15:31",""
"1563176","9.9554","0.0005","9.3037","0.0004","25.2695","0.0012","90","","94.67","0.003","90","","2332.74","0.19","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6.67 Cu N2 O4.33 -","- C6 H6.66667 Cu N2 O4.33333 -","- C72 H80 Cu12 N24 O52 -","12","3","","Marino, Nadia; Calatayud, María Luisa; Orts-Arroyo, Marta; Pascual-Álvarez, Alejandro; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; De Munno, Giovanni; Ruiz-García, Rafael; Castro, Isabel","Magnetic Switching in Vapochromic Oxalato-Bridged 2D Copper(II)-Pyrazole Compounds for Biogenic Amine Sensing","Magnetochemistry","2021","7","5","65","","10.3390/magnetochemistry7050065","","","1.54178","CuKα","","0.069","0.0497","","","0.1309","0.1422","","","","","","1.079","","","","has coordinates","266197","2021-06-06","04:56:31",""
"1563177","4.52","0.003","5.8014","0.0017","4.009","0.004","90","","90","","90","","105.13","0.13","293","","293","","","","","","","","high-pressure high-temperature synthesis","2","P n m a","-P 2ac 2n","62","Nickel carbide (3/1)","Nickel carbide (3/1)","","- C Ni3 -","- C Ni3 -","- C4 Ni12 -","4","0.5","","Fedotenko, Timofey; Khandarkhaeva, Saiana; Dubrovinsky, Leonid; Glazyrin, Konstantin; Sedmak, Pavel; Dubrovinskaia, Natalia","Synthesis and Compressibility of Novel Nickel Carbide at Pressures of Earth’s Outer Core","Minerals","2021","11","5","516","","10.3390/min11050516","","x-ray","0.2895","synchrotron","","0.1167","0.0659","","","0.1321","0.1571","","","","1.77","1.77","1.34","","","","has coordinates","266198","2021-06-06","07:34:28",""
"1563206","8.8774","0.0004","11.4152","0.0004","13.2381","0.0005","90","","95.989","0.002","90","","1334.19","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","chen, Herong; Zhou, Zhijun; Kong, Wangqing","Allylic Alcohol Synthesis by Ni-Catalyzed Direct and Selective Coupling of Alkynes and Methanol","Chemical Science","2021","","","","","10.1039/D1SC02625A","","","1.54178","CuKα","","0.0372","0.0329","","","0.0869","0.0901","","","","","","1.037","","","","has coordinates","266239","2021-06-08","01:16:32",""
"1563207","7.721","0.00012","5.37518","0.00007","12.143","0.0004","90","","90.165","0.004","90","","503.954","0.019","","","298","","","","100","","","","","4","P 1 21/n 1","-P 2yn","14","Mg C O6 D6","","nesquehonite deuterated","- C D2 Mg O34 -","- C D6 Mg O6 -","- C4 D24 Mg4 O24 -","4","1","","Yamamoto, G.; Kyono, A.; Abe, J.; Sano-Furukawa, A.; Hattori, T.","Crystal structure of nesquehonite, MgCO3*3H(D)2O by neutron diffraction and effect of pH on structural formulas of nesquehonite","Journal of Mineralogical and Petrological Sciences","2021","116","","96","103","10.2465/jmps.200117","","","","","","","","","","","","","","","","","","","","","has coordinates","266254","2021-06-08","07:18:30",""
"1563267","10.3118","0.0003","9.8749","0.0003","16.4567","0.0005","90","","105.396","0.001","90","","1615.62","0.08","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 S -","- C17 H22 N2 O2 S -","- C68 H88 N8 O8 S4 -","4","1","","Schulz, Emmanuelle; Abi Fayssal, Sandra; Naret, Timothée; Huc, Vincent; Buendia, Julien; Martini, Cyril","Benzyloxycalix[8]arene supported Pd-NHC cinnamyl complexes for Buchwald-Hartwig C-N cross-couplings","Catalysis Science & Technology","2021","","","","","10.1039/D1CY00669J","","","0.71073","MoKα","","0.0332","0.0294","","","0.0803","0.0834","","","","","","1.039","","","","has coordinates","266329","2021-06-10","00:49:22",""
"1563268","27.864","0.004","9.0235","0.0019","17.39","0.02","90","","94.11","0.04","90","","4361","5","292.9","0.11","292.9","0.11","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H17 F2 N3 O2 S -","- C24 H17 F2 N3 O2 S -","- C192 H136 F16 N24 O16 S8 -","8","1","","Ye, Changqing; Jiao, Yihang; Chiou, Mong-Feng; Li, Yajun; Bao, Hongli","Direct Synthesis of Pentasubstituted Pyrroles and Hexasubstituted Pyrrolines from Propargyl Sulfonylamides and Allenamides","Chemical Science","2021","","","","","10.1039/D1SC02090K","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1061","0.1155","","","","","","1.047","","","","has coordinates","266336","2021-06-10","01:27:00",""
"1563269","24.8324","0.0004","9.0541","0.0001","21.9042","0.0004","90","","109.819","0.002","90","","4633.13","0.14","110.43","0.1","110.43","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C208 H168 N24 O8 -","8","1","","Ye, Changqing; Jiao, Yihang; Chiou, Mong-Feng; Li, Yajun; Bao, Hongli","Direct Synthesis of Pentasubstituted Pyrroles and Hexasubstituted Pyrrolines from Propargyl Sulfonylamides and Allenamides","Chemical Science","2021","","","","","10.1039/D1SC02090K","","x-ray","1.3405","GaKα","","0.0376","0.0362","","","0.0944","0.0953","","","","","","1.04","","","","has coordinates","266336","2021-06-10","01:27:01",""
"1563270","19.8786","0.0011","5.1836","0.0003","27.5685","0.0017","90","","90.923","0.004","90","","2840.4","0.3","170","2","170.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 N2 O6 S2 -","- C64 H78 N2 O6 S2 -","- C128 H156 N4 O12 S4 -","2","0.5","","Wang, Cheng; Li, Rongjin; Dang, Yanfeng; Wei, Haipeng; Jiang, Yu; Zhao, Xuxia; Geng, Yanhou; Yao, Jiarong; Deng, Yunfeng; Du, Tian; Li, Riqing","High-Yield and Sustainable Synthesis of Quinoidal Compounds Assisted by Keto-Enol Tautomerism","Chemical Science","2021","","","","","10.1039/D1SC01685G","","","1.34139","GaKα","","0.1385","0.0946","","","0.2388","0.2707","","","","","","0.886","","","","has coordinates","266337","2021-06-10","01:27:38",""
"1563271","13.9538","0.0016","6.9261","0.0009","4.7629","0.0006","90","","90","","90","","460.31","0.1","294.86","0.1","294.86","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- F2 Ga H2 I O4 -","- F2 Ga H2 I O4 -","- F8 Ga4 H8 I4 O16 -","4","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Lin, Yuan; Chen, Jin; Li, Bing-Xuan; Mao, Jiang-Gao","[GaF(H2O)][IO3F]: a promising NLO material obtained by anisotropic polycation substitution","Chemical Science","2021","","","","","10.1039/D1SC01401C","","x-ray","0.71073","MoKα","","0.0388","0.0369","","","0.0804","0.0814","","","","","","1.058","","","","has coordinates,has disorder","266338","2021-06-10","01:28:02",""
"1563272","18.299","0.003","29.627","0.005","14.364","0.003","90","","104.263","0.01","90","","7547","2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87 H94 B N5 -","- C87 H94 B N5 -","- C348 H376 B4 N20 -","4","1","","Liu, Yang; Xiao, Xin; You, Ran; Bin, Zhengyang; You, Jingsong","Molecular Design of Thermally Activated Delayed Fluorescent Emitters for Narrowband Orange−Red OLEDs: Boosted by a Cyano-Functionalization Strategy","Chemical Science","2021","","","","","10.1039/D1SC02042K","","","1.54178","CuKα","","0.1416","0.0923","","","0.2561","0.3044","","","","","","1.068","","","","has coordinates,has disorder","266339","2021-06-10","01:29:08",""
"1563273","26.9599","0.0004","26.9599","0.0004","11.349","0.0002","90","","90","","120","","7143.7","0.2","270.82","0.19","270.82","0.19","","","","","","","","5","P 61","P 61","169","","","","- C36 H38 Cl Ir N4 -","- C36 H38 Cl Ir N4 -","- C216 H228 Cl6 Ir6 N24 -","6","1","","Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming","An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation","Chemical Science","2021","","","","","10.1039/D1SC02344F","","x-ray","1.54184","CuKα","","0.0445","0.0417","","","0.1134","0.1154","","","","","","1.077","","","","has coordinates","266340","2021-06-10","01:30:44",""
"1563274","17.07243","0.00019","17.07243","0.00019","21.9046","0.0004","90","","90","","90","","6384.49","0.15","149.96","0.1","149.96","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15 H23 N O Si -","- C15 H23 N O Si -","- C240 H368 N16 O16 Si16 -","16","1","","Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming","An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation","Chemical Science","2021","","","","","10.1039/D1SC02344F","","x-ray","1.54184","CuKα","","0.0518","0.048","","","0.1321","0.1356","","","","","","1.083","","","","has coordinates","266340","2021-06-10","01:30:45",""
"1563275","15.6492","0.0002","11.05361","0.00016","16.4956","0.0002","90","","102.773","0.0015","90","","2782.8","0.07","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cl Ir N3 -","- C34 H33 Cl Ir N3 -","- C136 H132 Cl4 Ir4 N12 -","4","1","","Yan, Zhi-Bo; Peng, Meng; Chen, Qi-Long; Lu, Ka; Tu, Yong Qiang; Dai, Kun Long; Zhang, Fu-Min; Zhang, Xiao-Ming","An Effective and Versatile Strategy for the Synthesis of Structurally Diverse Heteroarylsilanes via Ir(III)-Catalyzed C−H Silylation","Chemical Science","2021","","","","","10.1039/D1SC02344F","","x-ray","1.54184","CuKα","","0.0202","0.0188","","","0.047","0.048","","","","","","1.049","","","","has coordinates","266340","2021-06-10","01:30:45",""
"1563314","8.495","0.0007","5.4887","0.0004","24.023","0.002","90","","98.001","0.009","90","","1109.21","0.15","200","2","200","2","","","","","","","","3","I 1 a 1","I -2ya","9","","","","- C14 H12 F2 -","- C14 H12 F2 -","- C56 H48 F8 -","4","1","","Winterson, Bethan; Rennigholtz, Tim; Wirth, Thomas","Flow electrochemistry: a safe tool for fluorine chemistry","Chemical Science","2021","","","","","10.1039/D1SC02123K","","","1.54184","CuKα","","0.0871","0.0772","","","0.2231","0.2388","","","","","","1.091","","","","has coordinates","266371","2021-06-11","01:00:10",""
"1563315","7.8286","0.0003","5.5513","0.0002","16.0794","0.0006","90","","94.759","0.004","90","","696.38","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O -","- C9 H7 F O -","- C36 H28 F4 O4 -","4","1","","Winterson, Bethan; Rennigholtz, Tim; Wirth, Thomas","Flow electrochemistry: a safe tool for fluorine chemistry","Chemical Science","2021","","","","","10.1039/D1SC02123K","","","1.54184","CuKα","","0.0456","0.0382","","","0.0958","0.1019","","","","","","1.051","","","","has coordinates","266371","2021-06-11","01:00:11",""
"1563316","10.131","0.0006","6.6921","0.0005","15.405","0.001","90","","90","","90","","1044.42","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H9 F N2 O3 -","- C10 H9 F N2 O3 -","- C40 H36 F4 N8 O12 -","4","0.5","","Winterson, Bethan; Rennigholtz, Tim; Wirth, Thomas","Flow electrochemistry: a safe tool for fluorine chemistry","Chemical Science","2021","","","","","10.1039/D1SC02123K","","","1.54184","CuKα","","0.0589","0.0478","","","0.126","0.1433","","","","","","1.04","","","","has coordinates","266371","2021-06-11","01:00:12",""
"1563317","5.9791","0.0002","18.0925","0.0008","14.6578","0.0005","90","","97.5759","0.0019","90","","1571.79","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","SIT_107_03_needle_150K","","","- C16 H18 Cl N O3 Os -","- C16 H18 Cl N O3 Os -","- C64 H72 Cl4 N4 O12 Os4 -","4","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0443","0.0308","","","0.0545","0.0582","","","","","","1.006","","","","has coordinates","266372","2021-06-11","01:02:14",""
"1563318","13.5256","0.001","9.3193","0.0005","16.0284","0.0012","90","","90.59","0.004","90","","2020.3","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SIT_107_3_150K","","","- C9 H12 Cl2 O Os -","- C9 H12 Cl2 O Os -","- C72 H96 Cl16 O8 Os8 -","8","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0404","0.0252","","","0.0446","0.0503","","","","","","1.03","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1563319","15.5999","0.0004","7.8848","0.0003","25.8551","0.0008","90","","90","","90","","3180.23","0.18","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","SIT_100_150K","","","- C18 H18 Cl N O2 Os -","- C18 H18 Cl N O2 Os -","- C144 H144 Cl8 N8 O16 Os8 -","8","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0344","0.0213","","","0.0386","0.0424","","","","","","1.016","","","","has coordinates","266372","2021-06-11","01:02:14",""
"1563320","7.2647","0.0003","19.3763","0.0009","17.386","0.0006","90","","100.473","0.0019","90","","2406.53","0.17","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","SIT_117_01_150K","","","- C23 H26 Cl F6 N2 O Os P -","- C23 H26 Cl F6 N2 O Os P -","- C92 H104 Cl4 F24 N8 O4 Os4 P4 -","4","2","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0321","0.0268","","","0.0421","0.0445","","","","","","1.034","","","","has coordinates","266372","2021-06-11","01:02:14",""
"1563321","8.9047","0.0003","13.1177","0.0003","19.501","0.0006","90","","90","","90","","2277.9","0.12","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","SIT_116PF6_150K","","","- C21 H22 Cl F6 N2 O Os P -","- C21 H22 Cl F6 N2 O Os P -","- C84 H88 Cl4 F24 N8 O4 Os4 P4 -","4","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0348","0.0305","","","0.078","0.0798","","","","","","1.071","","","","has coordinates","266372","2021-06-11","01:02:15",""
"1563322","14.5072","0.0003","11.075","0.0002","15.5411","0.0003","90","","104.426","0.0007","90","","2418.22","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","SIT_56C_150K","","","- C23 H27 F6 N2 O3 Os P -","- C23 H27 F6 N2 O3 Os P -","- C92 H108 F24 N8 O12 Os4 P4 -","4","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0318","0.0245","","","0.0524","0.055","","","","","","1.019","","","","has coordinates","266372","2021-06-11","01:02:15",""
"1563323","12.3794","0.0004","12.3794","0.0004","17.8331","0.0006","90","","90","","120","","2366.77","0.13","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","SIT_105_150K","","","- C16 H18 Cl N O3.25 Os -","- C16 H18 Cl N O3.25 Os -","- C96 H108 Cl6 N6 O19.5 Os6 -","6","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0417","0.0364","","","0.0992","0.1032","","","","","","1.071","","","","has coordinates,has disorder","266372","2021-06-11","01:02:15",""
"1563324","10.0552","0.0003","11.2003","0.0003","13.0423","0.0004","90","","96.916","0.001","90","","1458.15","0.07","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","SIT_99_150K","","","- C15 H16 Cl N O3 Os -","- C15 H16 Cl N O3 Os -","- C60 H64 Cl4 N4 O12 Os4 -","4","2","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0313","0.0257","","","0.0496","0.0673","","","","","","1.032","","","","has coordinates","266372","2021-06-11","01:02:15",""
"1563325","13.2493","0.0006","16.1549","0.0009","13.9996","0.0007","90","","113.515","0.002","90","","2747.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 N O5 -","- C33 H31 N O5 -","- C132 H124 N4 O20 -","4","1","","Zhang, Yajun; Jiang, Dandan; Fang, Zheng; Zhu, Ning; Sun, Naixian; He, Wei; Liu, Chengkou; Zhao, Lili; Guo, Kai","Photomediated core modification of organic photoredox catalysts in radical addition: mechanism and applications","Chemical Science","2021","","","","","10.1039/D1SC02258J","","","0.71073","MoKα","","0.1267","0.0746","","","0.1774","0.2116","","","","","","1.069","","","","has coordinates","266373","2021-06-11","01:03:15",""
"1563354","5.2479","0.00004","18.15502","0.00012","21.35505","0.00016","90","","90","","90","","2034.62","0.03","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S2 -","- C24 H23 N O2 S2 -","- C96 H92 N4 O8 S8 -","4","1","","Zhu, Xin-Qi; Hong, Pan; Zheng, Yan-Xin; Zhen, Ying-Ying; Hong, Feng-Lin; Lu, Xin; Ye, Long-Wu","Copper-catalyzed asymmetric cyclization of alkenyl diynes: method development and new mechanistic insights","Chemical Science","2021","","","","","10.1039/D1SC02773E","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.074","0.0745","","","","","","1.04","","","","has coordinates","266405","2021-06-12","00:57:09",""
"1563355","24.65475","0.00012","20.81653","0.00009","8.55464","0.00004","90","","90","","90","","4390.47","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H32 N2 O2 S -","- C25 H32 N2 O2 S -","- C200 H256 N16 O16 S8 -","8","2","","Zhu, Xin-Qi; Hong, Pan; Zheng, Yan-Xin; Zhen, Ying-Ying; Hong, Feng-Lin; Lu, Xin; Ye, Long-Wu","Copper-catalyzed asymmetric cyclization of alkenyl diynes: method development and new mechanistic insights","Chemical Science","2021","","","","","10.1039/D1SC02773E","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0702","0.0707","","","","","","0.983","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1563356","6.7493","0.0001","10.072","0.0001","20.462","0.006","90","","94.781","0.001","90","","1386.1","0.4","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0441","0.0441","","","0.0862","0.0872","","","","","","1.139","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563357","6.7637","","10.0716","","20.4697","0.0002","90","","94.79","","90","","1389.55","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","1.54184","","","0.028","0.028","","","0.0374","0.039","","","","","","1.083","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563358","6.7832","","10.0779","","20.4867","0.0002","90","","94.754","","90","","1395.66","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","","","0.0301","0.0301","","","0.0371","0.0389","","","","","","0.982","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1563359","6.7983","","10.0786","","20.4949","0.0002","90","","94.744","","90","","1399.44","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","1.54184","","","0.0314","0.0314","","","0.0381","0.0394","","","","","","1.271","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563360","6.8159","","10.0882","","20.5143","","90","","94.74","","90","","1405.74","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0377","0.0377","","","0.034","0.0369","","","","","","0.94","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1563361","6.8491","","10.096","0.0002","20.5281","0.0003","90","","94.735","","90","","1414.64","0.03","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0408","0.0408","","","0.0356","0.0378","","","","","","1.111","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563362","6.855","","10.0998","","20.5333","0.0002","90","","94.69","","90","","1416.84","0.014","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0426","0.0426","","","0.0334","0.0357","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563363","6.8717","0.0001","10.105","0.0001","20.5512","0.0002","90","","94.688","0.001","90","","1422.27","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0441","0.0441","","","0.0414","0.0463","","","","","","0.832","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563364","6.8752","","10.1004","0.0002","20.5391","0.0004","90","","94.709","0.002","90","","1421.47","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0432","0.0432","","","0.0384","0.0427","","","","","","0.84","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563365","6.9337","0.0008","10.1217","0.0007","20.599","0.002","90","","94.713","0.009","90","","1440.8","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0418","0.0418","","","0.0267","0.0284","","","","","","0.408","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563366","6.9626","0.0001","10.1312","0.0009","20.609","0.002","90","","94.7","","90","","1448.86","0.19","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.0567","0.0567","","","0.0518","0.0537","","","","","","1.328","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563367","6.8312","0.0004","10.0839","0.0001","20.5232","0.0001","90","","94.635","0.006","90","","1409.12","0.08","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1295","0.1295","","","0.0576","0.0799","","","","","","0.733","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563368","6.7445","0.0003","10.0486","0.0001","20.4539","0.0001","90","","94.589","0.004","90","","1381.77","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1308","0.1308","","","0.0689","0.0962","","","","","","1.804","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563369","6.6277","0.0004","10.005","0.0001","20.3418","0.0001","90","","94.609","0.005","90","","1344.51","0.08","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1231","0.1231","","","0.0633","0.0715","","","","","","1.27","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563370","6.5155","0.0003","9.9444","0.0001","20.2293","0.0001","90","","94.662","0.004","90","","1306.38","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1119","0.1119","","","0.0611","0.0723","","","","","","1.373","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563371","6.4387","0.0002","9.9135","0.0001","20.1349","0.0001","90","","94.729","0.003","90","","1280.84","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1167","0.1167","","","0.0683","0.0853","","","","","","1.565","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563372","6.259","0.0002","9.8519","0.0001","19.8571","0.0001","90","","95.624","0.004","90","","1218.56","0.04","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.1108","0.1108","","","0.0766","0.0935","","","","","","1.588","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563373","6.2058","0.0003","9.8299","0.0001","19.7739","0.0001","90","","95.781","0.005","90","","1200.12","0.06","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H7 Cl2 N4 O2 -","- C15 H7 Cl2 N4 O2 -","- C60 H28 Cl8 N16 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir; Krawczuk, Anna; Bogdanov, Nikita E.; Zakharov, Boris A.; Boldyreva, Elena V.; Jelsch, Christian; Kojić-Prodić, Biserka","Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure","IUCrJ","2021","8","4","","","10.1107/S2052252521005273","","","0.71073","MoKα","","0.103","0.103","","","0.0663","0.079","","","","","","1.623","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1563374","17.4184","0.0015","10.2177","0.0008","18.5136","0.0016","90","","109.164","0.003","90","","3112.4","0.5","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","","- C34 H41 B F4 N2 P Rh -","- C34 H41 B F4 N2 P Rh -","- C136 H164 B4 F16 N8 P4 Rh4 -","4","1","WM4147","Rood, Jeffrey A.; Subedi, Chhatra B.; Risell, John P.; Astashkin, Andrei V.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](1-ethyl-3-isopropyl-1,3-imidazol-2-ylidene)(triphenylphosphane)rhodium(I) tetrafluoridoborate","IUCrData","2021","6","6","x210597","","10.1107/S2414314621005976","","","0.71073","MoKα","","0.0164","0.0161","","","0.0404","0.0406","","","","","","1.045","","","","has coordinates,has Fobs","266416","2021-06-12","05:10:39",""
"1563375","10.4914","0.0005","10.4914","0.0005","10.4914","0.0005","90","","90","","90","","1154.78","0.1","293","","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","Cs8Au3.5In1.5Cl23 Black (Eg=1.43eV)","","","- Au3.5 Cl23 Cs8 In1.5 -","- Au3.4999 Cl23.0004 Cs8 In1.5001 -","- Au3.4999 Cl23.0004 Cs8 In1.5001 -","1","0.0208333","","Jin, Jianbo; Folgueras, Maria C.; Gao, Mengyu; Yu, Sunmoon; Louisia, Sheena; Zhang, Ye; Quan, Li Na; Chen, Chubai; Zhang, Rui; Seeler, Fabian; Schierle-Arndt, Kerstin; Yang, Peidong","A New Perspective and Design Principle for Halide Perovskites: Ionic Octahedron Network (ION).","Nano letters","2021","21","12","5415","5421","10.1021/acs.nanolett.1c01897","","x-ray","0.71073","MoKα","","0.064","0.0512","","","0.1214","0.1273","","","","","","1.115","","","","has coordinates,has disorder","266976","2021-07-04","01:53:52",""
"1563376","10.4849","0.0002","10.4849","0.0002","10.4849","0.0002","90","","90","","90","","1152.64","0.04","293","","293","","","","","","","","","4","P m -3 m","-P 4 2 3","221","Cs8Au3.5In1.5Cl23 Yellow (Eg=2.37eV)","","","- Au3.5 Cl23 Cs8 In1.5 -","- Au3.4999 Cl23.0004 Cs8 In1.5001 -","- Au3.4999 Cl23.0004 Cs8 In1.5001 -","1","0.0208333","","Jin, Jianbo; Folgueras, Maria C.; Gao, Mengyu; Yu, Sunmoon; Louisia, Sheena; Zhang, Ye; Quan, Li Na; Chen, Chubai; Zhang, Rui; Seeler, Fabian; Schierle-Arndt, Kerstin; Yang, Peidong","A New Perspective and Design Principle for Halide Perovskites: Ionic Octahedron Network (ION).","Nano letters","2021","21","12","5415","5421","10.1021/acs.nanolett.1c01897","","x-ray","0.71073","MoKα","","0.0576","0.0477","","","0.123","0.1294","","","","","","1.135","","","","has coordinates,has disorder","266976","2021-07-04","01:54:05",""
"1563411","5.1068","0.0004","8.5769","0.0006","17.3195","0.0011","90","","90","","90","","758.6","0.09","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H6 B F4 Li O2 S -","- C2 H6 B F4 Li O2 S -","- C8 H24 B4 F16 Li4 O8 S4 -","4","1","","Ugata, Yosuke; Sasagawa, Shohei; Tatara, Ryoichi; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","Structural Effects of Solvents on Li-Ion-Hopping Conduction in Highly Concentrated LiBF<sub>4</sub>/Sulfone Solutions.","The journal of physical chemistry. B","2021","125","24","6600","6608","10.1021/acs.jpcb.1c01361","","","0.71073","MoKα","","0.0505","0.0453","","","0.1131","0.1162","","","","","","1.08","","","","has coordinates","266972","2021-07-04","01:48:38",""
"1563412","6.9422","0.0009","18.635","0.002","29.823","0.003","90","","90","","90","","3858.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C176 H216 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1247","0.0686","","","0.1574","0.1931","","","","","","1.03","","","","has coordinates","268627","2021-09-06","10:08:49",""
"1563413","9.5249","0.0005","9.5481","0.0006","12.5232","0.0007","90.01","0.004","96.492","0.004","105.918","0.004","1087.64","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 N3 O3 -","- C25 H33 N3 O3 -","- C50 H66 N6 O6 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1185","0.0591","","","0.1241","0.1504","","","","","","0.968","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563414","4.92","0.0004","16.6625","0.0017","18.9799","0.0017","87.245","0.003","87.143","0.003","86.58","0.003","1549.7","0.2","100.01","","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H50 N4 O4 -","- C33 H50 N4 O4 -","- C66 H100 N8 O8 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.1653","0.0679","","","0.1123","0.1405","","","","","","1.016","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563415","24.1436","0.0007","9.2164","0.0003","18.0242","0.0005","90","","90","","90","","4010.7","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C23 H29 N3 O3 -","- C23 H29 N3 O3 -","- C184 H232 N24 O24 -","8","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.0615","0.047","","","0.1089","0.1159","","","","","","1.028","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563416","8.6541","0.0015","9.2597","0.0018","13.842","0.003","104.249","0.008","97.838","0.008","96.127","0.008","1053.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O3 -","- C24 H31 N3 O3 -","- C48 H62 N6 O6 -","2","1","","Biswas, Suprakash; Dutta, Tanoy; Silswal, Akshay; Bhowal, Rohit; Chopra, Deepak; Koner, Apurba L.","Strategic engineering of alkyl spacer length for a pH-tolerant lysosome marker and dual organelle localization.","Chemical science","2021","12","28","9630","9644","10.1039/d1sc00542a","","","0.71073","MoKα","","0.064","0.0462","","","0.1135","0.1233","","","","","","1.047","","","","has coordinates","268627","2021-09-06","10:08:50",""
"1563417","11.734","0.002","15.683","0.003","18.431","0.003","84.631","0.003","80.158","0.003","81.477","0.003","3296.8","1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.99 H13.02 Cl0.68 F15 N4 O -","- C38.995 H13.021 Cl0.6765 F15 N4 O -","- C155.98 H52.084 Cl2.706 F60 N16 O4 -","4","2","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.7829","Synchrotron","","0.1208","0.0699","","","0.181","0.2443","","","","","","1.136","","","","has coordinates,has disorder","266448","2021-06-15","01:02:27",""
"1563418","15.303","0.003","16.985","0.003","20.28","0.004","92.31","0.002","94.162","0.002","101.368","0.002","5146.1","1.7","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C56.5 H49.5 Cl F15 N5 O Zn -","- C56.5 H49.5 Cl F15 N5 O Zn -","- C226 H198 Cl4 F60 N20 O4 Zn4 -","4","2","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.7829","Synchrotron","","0.1383","0.0853","","","0.2113","0.296","","","","","","1.196","","","","has coordinates,has disorder","266448","2021-06-15","01:02:28",""
"1563419","8.8987","0.0002","18.572","0.0005","32.3929","0.0008","90","","90.213","0.002","90","","5353.4","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H38 F15 N7 O Pd -","- C66 H38 F15 N7 O Pd -","- C264 H152 F60 N28 O4 Pd4 -","4","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.78192","Synchrotron","","0.1528","0.0878","","","0.2039","0.2495","","","","","","0.966","","","","has coordinates","266448","2021-06-15","01:02:28",""
"1563420","8.2881","0.0003","22.4879","0.0006","26.3395","0.0009","90","","90","","90","","4909.2","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 F15 N5 O Pd -","- C54 H44 F15 N5 O Pd -","- C216 H176 F60 N20 O4 Pd4 -","4","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.78192","Synchrotron","","0.1046","0.0641","","","0.1539","0.1982","","","","","","1.101","","","","has coordinates,has disorder","266448","2021-06-15","01:02:28",""
"1563421","8.1911","0.0016","22.065","0.004","25.559","0.005","90","","90","","90","","4619.4","1.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 F15 N5 O Pt -","- C54 H44 F15 N5 O Pt -","- C216 H176 F60 N20 O4 Pt4 -","4","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.7829","Synchrotron","","0.0846","0.0636","","","0.1351","0.1609","","","","","","1.127","","","","has coordinates","266448","2021-06-15","01:02:28",""
"1563422","7.389","0.002","13.345","0.004","26.551","0.008","103.059","0.004","93.168","0.004","93.947","0.004","2537.6","1.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 F15 N7 O2 -","- C66 H42 F15 N7 O2 -","- C132 H84 F30 N14 O4 -","2","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.7829","Synchrotron","","0.1039","0.0629","","","0.1427","0.1752","","","","","","1.055","","","","has coordinates","266448","2021-06-15","01:02:28",""
"1563423","8.493","0.0004","28.6109","0.0013","22.8426","0.0009","90","","96.787","0.003","90","","5511.7","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H41 F15 N8 Ni O -","- C68 H41 F15 N8 Ni O -","- C272 H164 F60 N32 Ni4 O4 -","4","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.78192","Synchrotron","","0.1726","0.0956","","","0.1942","0.2334","","","","","","1.06","","","","has coordinates,has disorder","266448","2021-06-15","01:02:28",""
"1563506","6.2434","0.0003","21.3584","0.001","6.8938","0.0003","90","","93.118","0.002","90","","917.92","0.07","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H15 N3 O8 -","- C19 H15 N3 O8 -","- C38 H30 N6 O16 -","2","1","BH4062","Howarth, Alexis; Barbosa, Tony J.; Zeller, Matthias; Hillesheim, Patrick C.","Pyridinium 3-nitrobenzoate‒3-nitrobenzoic acid (1/1)","IUCrData","2021","6","6","x210581","","10.1107/S2414314621005812","","","0.71073","MoKα","","0.0564","0.0439","","","0.0995","0.107","","","","","","1.052","","","","has coordinates,has Fobs","266483","2021-06-16","04:54:48",""
"1563507","6.4514","0.0003","7.0785","0.0004","13.3144","0.0007","78.906","0.002","85.276","0.002","79.628","0.002","586.19","0.05","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","3-(4-Methylphenyl)-4<i>H</i>-chromen-4-one","","- C16 H12 O2 -","- C16 H12 O2 -","- C32 H24 O4 -","2","1","HB4386","Yoo, Miri; Koh, Dongsoo","3-(4-Methylphenyl)-4<i>H</i>-chromen-4-one","IUCrData","2021","6","6","x210590","","10.1107/S2414314621005903","","","0.71073","MoKα","","0.0525","0.0444","","","0.1176","0.1241","","","","","","1.058","","","","has coordinates,has Fobs","266484","2021-06-16","04:55:11",""
"1563531","34.747","0.005","6.7509","0.0009","8.0407","0.0013","90","","90","","90","","1886.1","0.5","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 I N2 -","- C21 H23 I N2 -","- C84 H92 I4 N8 -","4","1","","Li, Xuechen; Niu, Guangle; Tian, Minggang; Lu, Qing; Cui, Yuezhi; Yu, Xiaoqiang","Two-Color Visualization of Cholesterol Fluctuation in Plasma Membranes by Spatial Distribution-Controllable Single Fluorescent Probes","Analytical Chemistry","2021","","","","","10.1021/acs.analchem.1c00481","","","0.71073","MoKα","","0.1511","0.1153","","","0.2708","0.29","","","","","","1.126","","","","has coordinates","266498","2021-06-16","22:10:16",""
"1563532","18","0.003","5.587","0.0009","15.124","0.002","90","","94.465","0.004","90","","1516.3","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Marek167b (Rahul Suresh)","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Suresh, Rahul; Massad, Itai; Marek, Ilan","Stereoselective Tandem Iridium-Catalyzed Alkene Isomerization-Cope Rearrangement of ω-diene Epoxides: Efficient Access to Acyclic 1,6-Dicarbonyl Compounds","Chemical Science","2021","","","","","10.1039/D1SC02575A","","","0.71073","MoKα","","0.1014","0.0511","","","0.1154","0.1325","","","","","","1.019","","","","has coordinates","266507","2021-06-17","01:21:00",""
"1563533","6.6436","0.0007","9.1155","0.001","16.003","0.019","90","","90.97","","90","","969","1.2","223","2","223","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C8 H22 Cl8 Cr2 N2 -","- C8 H22 Cl8 Cr2 N2 -","- C16 H44 Cl16 Cr4 N4 -","2","1","","Ai, Yong; Sun, Rong; Zeng, Yu-Ling; Liu, Jun-Chao; Tang, Yuan-Yuan; Wang, Bing-Wu; Wang, Zheming; Gao, Song; Xiong, Ren-Gen","Coexistence of Magnetic and Electric Orderings in a Divalent Cr2±Based Multiaxial Molecular Ferroelectric","Chemical Science","2021","","","","","10.1039/D1SC01871J","","","0.71073","MoKα","","0.093","0.0861","","","0.2384","0.2438","","","","","","1.002","","","","has coordinates","266508","2021-06-17","01:21:41",""
"1563534","9.4058","0.001","9.4058","0.001","6.6531","0.0008","90","","90","","120","","509.74","0.1","415","2","415","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C4 H11 Cl4 Cr N -","- C4.0008 H11.0022 Cl4.0002 Cr N1.0002 -","- C8.0016 H22.0044 Cl8.0004 Cr2 N2.0004 -","2","0.166667","","Ai, Yong; Sun, Rong; Zeng, Yu-Ling; Liu, Jun-Chao; Tang, Yuan-Yuan; Wang, Bing-Wu; Wang, Zheming; Gao, Song; Xiong, Ren-Gen","Coexistence of Magnetic and Electric Orderings in a Divalent Cr2±Based Multiaxial Molecular Ferroelectric","Chemical Science","2021","","","","","10.1039/D1SC01871J","","","0.71073","MoKα","","0.1901","0.1247","","","0.309","0.3474","","","","","","1.006","","","","has coordinates,has disorder","266508","2021-06-17","01:21:42",""
"1563535","9.2586","0.0002","9.6167","0.0002","15.5862","0.0004","89.2238","0.0012","75.0508","0.0011","65.7927","0.001","1216.17","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 N2 O3 S2 -","- C22 H32 N2 O3 S2 -","- C44 H64 N4 O6 S4 -","2","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.085","0.0737","","","0.2182","0.2338","","","","","","1.037","","","","has coordinates","268962","2021-09-06","12:40:02",""
"1563536","9.871","0.0003","9.8841","0.0003","10.9592","0.0003","98.4485","0.0011","94.876","0.0011","94.1161","0.0012","1049.96","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O3 S2 -","- C19 H26 N2 O3 S2 -","- C38 H52 N4 O6 S4 -","2","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.0832","0.0743","","","0.2076","0.2207","","","","","","1.042","","","","has coordinates","268962","2021-09-06","12:40:11",""
"1563537","13.081","0.004","23.84","0.008","15.426","0.005","90","","101.148","0.012","90","","4720","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N4 O4 S2 Ti -","- C34 H36 N4 O4 S2 Ti -","- C136 H144 N16 O16 S8 Ti4 -","4","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.0769","0.0585","","","0.1552","0.1676","","","","","","1.111","","","","has coordinates,has disorder","268962","2021-09-06","12:40:11",""
"1563538","17.719","0.0009","10.8186","0.0005","21.7958","0.0011","90","","93.293","0.002","90","","4171.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40.03 H46.03 N4 O4 S2 Ti -","- C40.028 H46.026 N4 O4 S2 Ti -","- C160.112 H184.104 N16 O16 S8 Ti4 -","4","1","","Roymuhury, Sagnik K.; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Homoleptic titanium and zirconium complexes exhibiting unusual Oiminol‒metal coordination: application in stereoselective ring-opening polymerization of lactide","Polymer Chemistry","2021","12","27","3953","3967","10.1039/D1PY00237F","","","0.71073","MoKα","","0.073","0.0471","","","0.1194","0.1493","","","","","","1.057","","","","has coordinates,has disorder","268962","2021-09-06","12:40:11",""
"1563558","6.24107","0.00009","8.21018","0.00012","26.5277","0.0005","90","","90","","90","","1359.29","0.04","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00246","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.078","0.0795","","","","","","1.014","","","","has coordinates","266542","2021-06-17","23:08:49",""
"1563559","6.3116","0.0002","23.9499","0.0006","9.3031","0.0003","90","","90","","90","","1406.28","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00246","","x-ray","1.54184","CuKα","","0.0518","0.0505","","","0.134","0.1346","","","","","","1.099","","","","has coordinates","266543","2021-06-17","23:09:12",""
"1563560","7.4494","0.0004","9.7601","0.0004","11.3665","0.0006","76.475","0.004","86.519","0.004","67.953","0.004","744.41","0.07","100","0.1","100","0.1","","","","","","","","3","P 1","P 1","1","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C30 H56 O6 -","2","2","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00246","","x-ray","1.54184","CuKα","","0.07","0.0663","","","0.1495","0.1514","","","","","","1.085","","","","has coordinates","266544","2021-06-17","23:09:33",""
"1563591","46.6254","0.0009","6.7239","0.0001","10.3609","0.0002","90","","96.127","0.001","90","","3229.63","0.1","170","2","169.98","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H48 O5 -","- C38 H48 O5 -","- C152 H192 O20 -","4","1","","Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min","Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC02710G","","","1.34139","GaKα","","0.0647","0.0554","","","0.1416","0.1514","","","","","","1.021","","","","has coordinates","266581","2021-06-20","00:47:30",""
"1563592","10.349","0.0002","43.8716","0.0009","7.7286","0.0002","90","","90","","90","","3508.99","0.13","170","2","170.02","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C39 H50 O7 -","- C39 H50 O7 -","- C156 H200 O28 -","4","1","","Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min","Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC02710G","","","1.34139","GaKα","","0.0416","0.0384","","","0.0971","0.0998","","","","","","1.013","","","","has coordinates","266581","2021-06-20","00:47:31",""
"1563593","18.0938","0.001","7.0743","0.0004","24.2239","0.0014","90","","92.505","0.003","90","","3097.7","0.3","170","","170","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C38 H46 O5 -","- C38 H46 O5 -","- C152 H184 O20 -","4","1","","Zhou, Bin; Gao, Xinhua; Zhang, Minmin; Zheng, Chengyu; Liu, Hongchun; Yue, Jian-Min","Discovery of Four Modified Classes of Triterpenoids Delineated a Metabolic Cascade: Compound Characterization and Biomimetic Synthesis","Chemical Science","2021","","","","","10.1039/D1SC02710G","","","1.54178","CuKα","","0.0563","0.0516","","","0.1218","0.1279","","","","","","1.087","","","","has coordinates,has disorder","266582","2021-06-20","00:48:03",""
"1563594","11.323","0.002","11.661","0.002","14.412","0.003","109.18","0.03","106.05","0.03","91.67","0.03","1712.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H51 N Ni P2 -","- C39 H51 N Ni P2 -","- C78 H102 N2 Ni2 P4 -","2","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.7","Synchrotron","","0.1225","0.067","","","0.1831","0.2155","","","","","","1.026","","","","has coordinates,has disorder","266584","2021-06-20","00:49:55",""
"1563595","10.849","0.003","16.888","0.005","18.019","0.006","90","","90","","90","","3301.4","1.7","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H51 N Ni P2 -","- C36 H51 N Ni P2 -","- C144 H204 N4 Ni4 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0694","0.0492","","","0.1171","0.1297","","","","","","1.062","","","","has coordinates","266584","2021-06-20","00:49:55",""
"1563596","17.2049","0.0009","18.875","0.0011","10.0825","0.0006","90","","90","","90","","3274.2","0.3","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H49 N Ni P2 -","- C35 H49 N Ni P2 -","- C140 H196 N4 Ni4 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0539","0.0448","","","0.0984","0.1016","","","","","","1.046","","","","has coordinates","266584","2021-06-20","00:49:56",""
"1563597","10.0108","0.0001","35.7026","0.0004","16.8198","0.0001","90","","90.704","0.001","90","","6011.14","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N Ni P2 -","- C31 H47 N Ni P2 -","- C248 H376 N8 Ni8 P16 -","8","2","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","1.54178","CuKα","","0.0535","0.0474","","","0.1288","0.1322","","","","","","1.056","","","","has coordinates,has disorder","266584","2021-06-20","00:49:56",""
"1563598","10.5857","0.0018","10.7679","0.0018","17.167","0.003","90.798","0.003","106.671","0.003","93.003","0.003","1871.1","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H60 N3 Na Ni O2 P2 -","- C37 H60 N3 Na Ni O2 P2 -","- C74 H120 N6 Na2 Ni2 O4 P4 -","2","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0827","0.0521","","","0.1296","0.1576","","","","","","0.738","","","","has coordinates","266584","2021-06-20","00:49:56",""
"1563599","17.416","0.007","19.138","0.007","10.025","0.004","90","","90","","90","","3341","2","273","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36 H51 N Ni P2 -","- C36 H51 N Ni P2 -","- C144 H204 N4 Ni4 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0734","0.0445","","","0.1043","0.1214","","","","","","0.722","","","","has coordinates","266584","2021-06-20","00:49:57",""
"1563600","26.713","0.012","14.214","0.006","26.937","0.012","90","","101.278","0.006","90","","10030","8","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H146 N2 Ni2 O2 P4 -","- C115 H146 N2 Ni2 O2 P4 -","- C460 H584 N8 Ni8 O8 P16 -","4","0.5","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.1574","0.0875","","","0.2089","0.2579","","","","","","1.04","","","","has coordinates,has disorder","266584","2021-06-20","00:49:57",""
"1563601","13.371","0.0005","22.6835","0.0009","13.9334","0.0005","90","","97.868","0.002","90","","4186.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H67 N Ni O2 P2 -","- C44 H67 N Ni O2 P2 -","- C176 H268 N4 Ni4 O8 P8 -","4","1","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0921","0.0599","","","0.1527","0.1708","","","","","","1.026","","","","has coordinates","266584","2021-06-20","00:49:57",""
"1563602","15.116","0.003","24.653","0.005","18.153","0.004","90","","90","","90","","6765","2","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H51 N Ni P2 -","- C36 H51 N Ni P2 -","- C288 H408 N8 Ni8 P16 -","8","2","","Min, Sehye; Choi, Jonghoon; Yoo, Changho; Graham, Peter M.; Lee, Yunho","Ni(0)-Promoted Activation of Csp2‒H and Csp2‒O Bonds","Chemical Science","2021","","","","","10.1039/D1SC02210E","","","0.71073","MoKα","","0.0606","0.04","","","0.0806","0.0879","","","","","","0.999","","","","has coordinates","266584","2021-06-20","00:49:57",""
"1563603","9.3386","0.0003","10.3729","0.0003","24.4089","0.0007","90","","90","","90","","2364.45","0.12","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O6 -","- C24 H25 N3 O6 -","- C96 H100 N12 O24 -","4","1","","Wu, Yong-Jie; Xie, Pei-Pei; Zhou, Gang; Yao, Qi-Jun; Hong, Xin; Shi, Bing-Feng","Atroposelective synthesis of N-aryl peptoid atropisomers via a palladium(ii)-catalyzed asymmetric C‒H alkynylation strategy","Chemical Science","2021","","","","","10.1039/D1SC01130H","","","1.54178","CuKα","","0.0288","0.0287","","","0.0733","0.0734","","","","","","1.071","","","","has coordinates,has disorder","266585","2021-06-20","00:50:52",""
"1563604","10.869","0.0012","12.0085","0.0014","20.318","0.002","80.274","0.002","76.661","0.002","65.621","0.002","2342.1","0.4","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","neisc20","","","- C60 H49 Br Fe P4 -","- C60 H49 Br Fe P4 -","- C120 H98 Br2 Fe2 P8 -","2","1","","DeMuth, Joshua C.; Song, Zhihui; Carpenter, Stephanie H.; Boddie, Theresa E.; Radović, Aleksa; Baker, Tessa M.; Gutierrez, Osvaldo; Neidig, Michael L.","Experimental and computational studies of the mechanism of iron-catalysed C‒H activation/functionalisation with allyl electrophiles","Chemical Science","2021","","","","","10.1039/D1SC01661J","","","0.71073","MoKα","","0.1209","0.0682","","","0.1258","0.1467","","","","","","1.038","","","","has coordinates","266586","2021-06-20","00:51:15",""
"1563605","7.794","0.0006","10.9301","0.0011","11.6145","0.0007","105.899","0.007","96.387","0.006","109.955","0.008","871.21","0.14","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 Sb6 Zr2 -","- C26 H42 Sb6 Zr2 -","- C26 H42 Sb6 Zr2 -","1","0.5","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.54184","CuKα","","0.0422","0.0367","","","0.0981","0.1036","","","","","","1.061","","","","has coordinates","266587","2021-06-20","00:52:44",""
"1563606","10.4528","0.0003","14.3499","0.0004","20.1596","0.0005","93.653","0.002","101.854","0.002","104.007","0.002","2850.83","0.14","123","1","123.15","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H87 Fe3 Sb6 -","- C51 H87 Fe3 Sb6 -","- C102 H174 Fe6 Sb12 -","2","1","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.54184","CuKα","","0.0263","0.0223","","","0.0482","0.0495","","","","","","1.086","","","","has coordinates","266587","2021-06-20","00:52:44",""
"1563607","13.0892","0.0008","13.0892","0.0008","36.0383","0.0018","90","","90","","120","","5347.1","0.5","123","1","123.15","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C68 H116 Co4 Sb4 -","- C68 H116 Co4 Sb4 -","- C204 H348 Co12 Sb12 -","3","0.25","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.54184","CuKα","","0.0572","0.0468","","","0.1064","0.1154","","","","","","1.094","","","","has coordinates,has disorder","266587","2021-06-20","00:52:44",""
"1563608","12.3188","0.0002","20.5303","0.0004","20.549","0.0004","87.329","0.002","89.455","0.001","88.319","0.001","5188.97","0.17","123","0.2","123","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H87 Fe3 Sb2 -","- C51 H87 Fe3 Sb2 -","- C204 H348 Fe12 Sb8 -","4","2","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.39222","CuKβ","","0.0453","0.0411","","","0.1101","0.116","","","","","","1.05","","","","has coordinates","266587","2021-06-20","00:52:44",""
"1563609","16.0588","0.0002","19.7981","0.0002","30.5084","0.0004","90","","91.176","0.001","90","","9697.6","0.2","128.5","0.3","128.5","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C127 H113 Co3 Sb2 -","- C127 H113 Co3 Sb2 -","- C508 H452 Co12 Sb8 -","4","1","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.54184","CuKα","","0.037","0.0306","","","0.0742","0.0771","","","","","","1.034","","","","has coordinates","266587","2021-06-20","00:52:44",""
"1563610","46.3369","0.0013","19.0535","0.0005","19.5836","0.0006","90","","92.226","0.003","90","","17276.9","0.8","122.97","0.13","122.97","0.13","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C85 H145 Ni4.5 Sb4 -","- C85 H145 Ni4.5 Sb4 -","- C680 H1160 Ni36 Sb32 -","8","1","","Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Transfer of Polyantimony Units","Chemical Science","2021","","","","","10.1039/D1SC02498A","","x-ray","1.54184","CuKα","","0.0471","0.0326","","","0.069","0.0755","","","","","","1","","","","has coordinates","266587","2021-06-20","00:52:44",""
"1563644","10.3885","0.0002","14.7402","0.0004","19.0069","0.0005","90","","90","","90","","2910.5","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N O12 -","- C31 H35 N O12 -","- C124 H140 N4 O48 -","4","1","","Zhao, Yuxiang; Zhu, Yanren; Ma, Guolan; Wei, Qi; Yang, Shaoxiong; Zeng, Xiaoyu; Zhang, Hongbin; Chen, Jingbo","Short, enantioselective, gram-scale synthesis of (−)-zephyranthine","Chemical Science","2021","","","","","10.1039/D1SC03147C","","","1.54178","CuKα","","0.026","0.0256","","","0.0631","0.0635","","","","","","1.074","","","","has coordinates","266622","2021-06-23","00:54:59",""
"1563645","8.3456","0.001","24.203","0.004","8.4795","0.0011","90","","95.737","0.004","90","","1704.2","0.4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl2 O2 Si -","- C15 H22 Cl2 O2 Si -","- C60 H88 Cl8 O8 Si4 -","4","1","","Saito, Hayate; Shimokawa, Jun; Yorimitsu, Hideki","Dioxasilepanyl Group as a Versatile Organometallic Unit: Studies in Stability, Reactivity, and Utility","Chemical Science","2021","","","","","10.1039/D1SC02083H","","","1.54187","CuKα","","0.0268","0.0252","","","0.0693","0.07","","","","","","1.095","","","","has coordinates","266623","2021-06-23","00:57:20",""
"1563646","15.2765","0.0007","7.2467","0.0003","24.6245","0.0012","90","","91.077","0.004","90","","2725.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 N6 -","- C33 H24 N6 -","- C132 H96 N24 -","4","1","","Liang, Juncong; Liang, Junhui; Hao, Aiyou; Xing, Pengyao","Symmetry breaking-induced double-strand helices in H-bonded coassembly.","Nanoscale","2021","13","30","12929","12937","10.1039/d1nr02515e","","x-ray","1.54184","CuKα","","0.0879","0.0538","","","0.1388","0.1555","","","","","","1.036","","","","has coordinates","268829","2021-09-06","11:49:19",""
"1563647","11.7863","0.0014","24.768","0.003","28.259","0.003","112.963","0.003","96.27","0.003","103.206","0.003","7211.6","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H18 N6 -","- C21 H18 N6 -","- C336 H288 N96 -","16","8","","Liang, Juncong; Liang, Junhui; Hao, Aiyou; Xing, Pengyao","Symmetry breaking-induced double-strand helices in H-bonded coassembly.","Nanoscale","2021","13","30","12929","12937","10.1039/d1nr02515e","","","0.71073","MoKα","","0.3552","0.1506","","","0.3029","0.3853","","","","","","1.329","","","","has coordinates","268829","2021-09-06","11:49:19",""
"1563666","13.0089","0.0003","18.5762","0.0004","19.9212","0.0005","90","","101.582","0.001","90","","4716.05","0.19","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H120 Mg2 N4 O4 -","- C96 H120 Mg2 N4 O4 -","- C192 H240 Mg4 N8 O8 -","2","0.5","","Cui, Haiyan; Hu, Zhaobo; Chen, Chao; Ruan, Huapeng; Fang, Yong; Zhang, Li; Zhao, Yue; Tan, Gengwen; Song, You; Wang, Xinping","A high-spin diradical dianion and its bridged chemically switchable single-molecule magnet","Chemical Science","2021","","","","","10.1039/D1SC01932E","","","1.34139","GaKα","","0.1221","0.0673","","","0.1251","0.1374","","","","","","1.097","","","","has coordinates","266646","2021-06-24","00:54:22",""
"1563667","12.3217","0.0014","14.4239","0.0017","15.785","0.002","90.292","0.004","93.572","0.005","92.232","0.004","2797.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H136 K2 Mg2 N4 O8 -","- C98 H136 K2 Mg2 N4 O8 -","- C98 H136 K2 Mg2 N4 O8 -","1","0.5","","Cui, Haiyan; Hu, Zhaobo; Chen, Chao; Ruan, Huapeng; Fang, Yong; Zhang, Li; Zhao, Yue; Tan, Gengwen; Song, You; Wang, Xinping","A high-spin diradical dianion and its bridged chemically switchable single-molecule magnet","Chemical Science","2021","","","","","10.1039/D1SC01932E","","","0.71073","MoKα","","0.087","0.0603","","","0.1586","0.1756","","","","","","1.019","","","","has coordinates","266646","2021-06-24","00:54:31",""
"1563668","12.9263","0.0005","18.6784","0.0006","19.8163","0.0007","90","","100.993","0.002","90","","4696.7","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H104 Fe2 N4 O4 -","- C82 H104 Fe2 N4 O4 -","- C164 H208 Fe4 N8 O8 -","2","0.5","","Cui, Haiyan; Hu, Zhaobo; Chen, Chao; Ruan, Huapeng; Fang, Yong; Zhang, Li; Zhao, Yue; Tan, Gengwen; Song, You; Wang, Xinping","A high-spin diradical dianion and its bridged chemically switchable single-molecule magnet","Chemical Science","2021","","","","","10.1039/D1SC01932E","","","1.34139","GaKα","","0.0739","0.0488","","","0.1544","0.1686","","","","","","1.049","","","","has coordinates","266646","2021-06-24","00:54:31",""
"1563669","13.1826","0.0007","13.9086","0.0007","19.523","0.0011","92.382","0.002","107.892","0.002","116.504","0.002","2980.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H136 Fe2 K2 N4 O8 -","- C98 H136 Fe2 K2 N4 O8 -","- C98 H136 Fe2 K2 N4 O8 -","1","0.5","","Cui, Haiyan; Hu, Zhaobo; Chen, Chao; Ruan, Huapeng; Fang, Yong; Zhang, Li; Zhao, Yue; Tan, Gengwen; Song, You; Wang, Xinping","A high-spin diradical dianion and its bridged chemically switchable single-molecule magnet","Chemical Science","2021","","","","","10.1039/D1SC01932E","","","0.71073","MoKα","","0.0609","0.052","","","0.1532","0.1616","","","","","","1.054","","","","has coordinates,has disorder","266646","2021-06-24","00:54:32",""
"1563670","59.5294","0.0011","59.5294","0.0011","6.96369","0.00019","90","","90","","120","","21371.4","0.8","90","","90","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TolHAT","4,4',4'',4''',4'''',4'''''-((dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexaylhexakis(benzene-4,1-diyl))hexakis(ethyne-2,1-diyl))hexabenzoic acid","","- C102 H60 N6 O12 -","- C102 H60 N6 O12 -","- C612 H360 N36 O72 -","6","0.166667","","Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro","Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion","Chemical Science","2021","","","","","10.1039/D1SC02690A","","","0.81106","synchrotron","","0.1994","0.1267","","","0.3874","0.42","","","","","","1.265","","","","has coordinates","266647","2021-06-24","00:55:46",""
"1563671","9.3082","0.0003","53.691","0.0012","30.7096","0.0006","90","","97.504","0.002","90","","15216.2","0.7","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","BPTp","4',4''',4''''',4''''''',4'''''''''-(11-(4'-methyl-[1,1'-biphenyl]-4-yl)triphenylene-2,3,6,7,10-pentayl)pentakis(([1,1'-biphenyl]-4-carboxylic acid))","","- C108 H72 Cl6 O12 -","- C108 H72 Cl6 O12 -","- C432 H288 Cl24 O48 -","4","0.5","","Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro","Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion","Chemical Science","2021","","","","","10.1039/D1SC02690A","","x-ray","1.54184","CuKα","","0.1786","0.1349","","","0.3858","0.4215","","","","","","1.377","","","","has coordinates,has disorder","266647","2021-06-24","00:55:47",""
"1563672","65.827","0.005","65.827","0.005","6.9879","0.0007","90","","90","","120","","26223","4","95","","95","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","ThiaHAT","4,4',4'',4''',4'''',4'''''-((dipyrazino[2,3-f:2',3'-h]quinoxaline-2,3,6,7,10,11-hexaylhexakis(benzene-4,1-diyl))hexakis(benzo[c][1,2,5]thiadiazole-7,4-diyl))hexabenzoic acid","","- C126 H66 N18 O12 S6 -","- C126 H66 N18 O12 S6 -","- C756 H396 N108 O72 S36 -","6","0.166667","","Suzuki, Yuto; GUTIÉRREZ, MARIO; Tanaka, Senri; Gomez Garcia, Eduardo; Tohnai, Norimitsu; Yasuda, Nobuhiro; Matubayasi, Nobuyuki; Douhal, Abderrazzak; Hisaki, Ichiro","Construction of Isostructural Hydrogen-bonded Organic Frameworks: Limitations and Possibilities of Pore Expansion","Chemical Science","2021","","","","","10.1039/D1SC02690A","","","0.81128","synchrotron","","0.2018","0.1673","","","0.4068","0.4353","","","","","","1.363","","","","has coordinates,has disorder","266647","2021-06-24","00:55:47",""
"1563673","8.3314","0.0003","7.6652","0.0003","11.5888","0.0004","90","","99.667","0.003","90","","729.57","0.05","125","","125","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C7 H9 F5 -","- C7 H9 F5 -","- C28 H36 F20 -","4","0.5","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","1.54184","CuKα","","0.0342","0.0339","","","0.0953","0.0955","","","","","","1.172","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563674","6.3268","0.0009","11.835","0.0016","9.9391","0.0016","90","","103.293","0.016","90","","724.28","0.19","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 F10 -","- C14 H16 F10 -","- C28 H32 F20 -","2","0.5","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","x-ray","1.54184","CuKα","","0.2141","0.1179","","","0.2865","0.3811","","","","","","1.091","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563675","15.594","0.007","12.835","0.007","8.557","0.004","90","","90","","90","","1712.7","1.5","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H11 F5 -","- C8 H11 F5 -","- C64 H88 F40 -","8","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","0.71075","MoKα","","0.0684","0.0515","","","0.1316","0.1381","","","","","","0.955","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563676","18.982","0.006","5.188","0.001","12.315","0.002","90","","97.79","0.02","90","","1201.6","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 F10 -","- C24 H36 F10 -","- C48 H72 F20 -","2","0.5","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","1.54184","CuKα","","0.2101","0.1661","","","0.4847","0.5161","","","","","","1.723","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563677","5.64684","0.00018","5.62268","0.00014","30.1035","0.0011","90","","95.117","0.003","90","","951.99","0.05","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H33 F5 -","- C19 H33 F5 -","- C38 H66 F10 -","2","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","1.54184","CuKα","","0.0476","0.0427","","","0.1206","0.1233","","","","","","1.091","","","","has coordinates","266648","2021-06-24","00:57:18",""
"1563678","5.5481","0.0006","5.5766","0.0006","62.078","0.008","90","","90","","90","","1920.7","0.4","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 F5 O -","- C19 H33 F5 O -","- C76 H132 F20 O4 -","4","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","1.54184","CuKα","","0.2012","0.1806","","","0.4689","0.4893","","","","","","1.809","","","","has coordinates","266648","2021-06-24","00:57:19",""
"1563691","23.69","0.002","12.7455","0.0011","23.188","0.002","90","","90","","90","","7001.4","1","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C51 H84 Al N2 O4 P -","- C51 H84 Al N2 O4 P -","- C204 H336 Al4 N8 O16 P4 -","4","1","","Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu","Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs","Polymer Chemistry","2021","12","29","4226","4234","10.1039/D1PY00579K","","","0.71073","MoKα","","0.1243","0.0583","","","0.0889","0.0942","","","","","","1.068","","","","has coordinates","268961","2021-09-06","12:39:47",""
"1563692","12.9533","0.0007","12.0272","0.0004","11.7499","0.0006","90","","116.824","0.005","90","","1633.57","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N2 P -","- C15 H27 N2 P -","- C60 H108 N8 P4 -","4","1","","Ge, Fang; Li, Sun; Wang, Zhe; Zhang, Wenzhong; Wang, Xiaowu","Controlled and efficient polymerization of methyl methacrylate catalyzed by pyridinylidenaminophosphine based Lewis pairs","Polymer Chemistry","2021","12","29","4226","4234","10.1039/D1PY00579K","","","1.54178","CuKα","","0.0529","0.043","","","0.1148","0.1219","","","","","","1.068","","","","has coordinates","268961","2021-09-06","12:39:51",""
"1563693","6.428","0.006","6.641","0.006","8.612","0.008","90","","108.07","0.02","90","","349.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","KYGeS4","","- Ge K S4 Y -","- Ge K S4 Y -","- Ge2 K2 S8 Y2 -","2","1","","Mei, Dajiang; Cao, Wangzhu; Wang, Naizheng; Jiang, Xingxing; Zhao, Jun; Wang, Weikang; Dang, Junhui; Zhang, Shiyan; Wu, Yuandong; Rao, Pinhua; Lin, Zheshuai","Breaking through the “3.0 eV wall” of energy band gap in mid-infrared nonlinear optical rare earth chalcogenides by charge-transfer engineering","Materials Horizons","2021","8","8","2330","2334","10.1039/D1MH00562F","","","0.71073","MoKα","","0.0158","0.0152","","","0.0339","0.0341","","","","","","0.907","","","","has coordinates","268968","2021-09-06","12:42:09",""
"1563709","7.16","0.003","9.102","0.004","13.073","0.006","101.32","0.015","93.023","0.016","99.194","0.015","821.5","0.6","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O10 -","- C20 H16 O10 -","- C40 H32 O20 -","2","1","","Hu, Yun-Wei; Liu, Ying; Guo, Er-Yan; Wang, Yu-Ying; Xu, Wan-Qi; Gao, Yan; Jiang, Xue-Yang; Feng, Feng; Xu, Jian; Liu, Wen-Yuan","Naphtho-γ-pyrone Dimers from an Endozoic <i>Aspergillus niger</i> and the Effects of Coisolated Monomers in Combination with Cisplatin on a Cisplatin-Resistant A549 Cell Line.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.0c01262","","","0.71073","MoKα","","0.1851","0.1235","","","0.3286","0.3766","","","","","","0.852","","","","has coordinates","266699","2021-06-26","00:00:32",""
"1563710","26.3019","0.0003","10.3175","0.0001","25.131","0.0004","90","","94.732","0.001","90","","6796.55","0.15","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H27 F7 P Rh -","- C42 H27 F7 P Rh -","- C336 H216 F56 P8 Rh8 -","8","1","","Sheng Loong Tan, Nicholas; Nealon, Gareth L.; Moggach, Stephen A.; Lynam, Jason M.; Ogden, Mark I.; Massi, Massimiliano; Lowe, Andrew B.","(η4-Tetrafluorobenzobarrelene)-η1-((tri-4-fluorophenyl)phosphine)-η1-(2-phenylphenyl)rhodium(I): A Catalyst for the Living Polymerization of Phenylacetylenes","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00906","","x-ray","1.54184","CuKα","","0.0543","0.049","","","0.138","0.1489","","","","","","1.26","","","","has coordinates","266705","2021-06-26","00:35:49",""
"1563711","13.0661","0.0004","8.5368","0.0003","8.5165","0.0003","90","","97.942","0.001","90","","940.84","0.06","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 F4 I4 N2 Pb -","- C8 H10 F4 I4 N2 Pb -","- C16 H20 F8 I8 N4 Pb2 -","2","0.5","","Lv, Guangwei; Li, Ling; Lu, Di; Xu, Zhiyuan; Dong, Yixin; Li, Qiaohui; Chang, Zhitao; Yin, Wan-Jian; Liu, Yongsheng","Multiple-Noncovalent-Interaction-Stabilized Layered Dion-Jacobson Perovskite for Efficient Solar Cells.","Nano letters","2021","","","","","10.1021/acs.nanolett.1c01505","","","1.34139","GaKα","","0.0394","0.039","","","0.1028","0.1032","","","","","","1.123","","","","has coordinates","266706","2021-06-26","00:42:15",""
"1563712","9.5141","0.0005","30.3107","0.0017","11.2831","0.0006","90","","114.793","0.003","90","","2953.9","0.3","273.15","","273.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H34 Cl N7 O7 S -","- C26 H34 Cl N7 O7 S -","- C104 H136 Cl4 N28 O28 S4 -","4","2","","Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Insight into the Formation of Heteromolecular Hydrogen Bonds between Dasatinib and GRAS Molecules","Organic Process Research & Development","2021","","","","","10.1021/acs.oprd.0c00549","","","1.54178","CuKα","","0.0986","0.0668","","","0.165","0.187","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563713","15.9963","0.0006","29.4039","0.0011","16.5323","0.0006","90","","107.526","0.0008","90","","7415.1","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H168 Ag20 O24 P12 Pt Se24 -","- C72 H168 Ag20 O24 P12 Pt Se24 -","- C144 H336 Ag40 O48 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.0428","0.038","","","0.0957","0.0989","","","","","","1.053","","","","has coordinates","268831","2021-09-06","11:50:02",""
"1563714","17.9783","0.0012","26.4928","0.0018","18.7771","0.0013","90","","112.71","0.0012","90","","8250.1","1","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C81 H186 Ag20 O27 P12 Pt Se24 -","- C81 H186 Ag20 O27 P12 Pt Se24 -","- C162 H372 Ag40 O54 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.0432","0.0367","","","0.0943","0.0981","","","","","","1.039","","","","has coordinates,has disorder","268831","2021-09-06","11:50:02",""
"1563715","18.4077","0.0012","18.8892","0.0013","33.16","0.002","78.1","0.001","84.05","0.001","83.281","0.001","11167.1","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C192 H216 Ag20 P12 Pt Se24 -","- C192 H216 Ag20 P12 Pt Se24 -","- C384 H432 Ag40 P24 Pt2 Se48 -","2","1","","Chiu, Tzu-Hao; Liao, Jian-Hong; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","All-selenolate-protected eight-electron platinum/silver nanoclusters.","Nanoscale","2021","13","28","12143","12148","10.1039/d1nr02540f","","","0.71073","MoKα","","0.139","0.077","","","0.212","0.2383","","","","","","1.034","","","","has coordinates,has disorder","268831","2021-09-06","11:50:02",""
"1563716","9.7965","0.0002","10.101","0.0002","13.0974","0.0003","81.081","0.002","70.906","0.002","63.321","0.002","1094.3","0.05","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate","","- C8 H52 N14 O34 V10 -","- C8 H52 N14 O34 V10 -","- C8 H52 N14 O34 V10 -","1","0.5","IM4012","Polito-Lucas, J. Alberto; Núñez-Ávila, José A.; Bernès, Sylvain; Pérez-Benítez, Aarón","Tetraammonium bis(metforminium) di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) hexahydrate","IUCrData","2021","6","6","x210634","","10.1107/S2414314621006349","","x-ray","0.56083","AgKα","","0.0331","0.0254","","","0.0737","0.0782","","","","","","1.063","","","","has coordinates,has Fobs","266720","2021-06-26","06:08:46",""
"1563717","10.4761","0.0008","10.1707","0.0008","33.232","0.002","90","","97.508","0.003","90","","3510.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F3 O2 -","- C22 H13 F3 O2 -","- C176 H104 F24 O16 -","8","2","","Zhang, Yan; Ma, Chanchan; Struwe, Julia; Feng, Jian; Zhu, Gangguo; Ackermann, Lutz","Electrooxidative Dearomatization of Biaryls: Synthesis of Tri- and Difluoromethylated Spiro[5.5]trienones","Chemical Science","2021","","","","","10.1039/D1SC02682H","","","0.71073","MoKα","","0.0583","0.0489","","","0.1233","0.13","","","","","","1.057","","","","has coordinates","266727","2021-06-28","00:48:17",""
"1563718","11.1063","0.0006","11.5675","0.0007","15.4633","0.0009","90","","101.479","0.002","90","","1946.87","0.19","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F2 O4 -","- C24 H18 F2 O4 -","- C96 H72 F8 O16 -","4","1","","Zhang, Yan; Ma, Chanchan; Struwe, Julia; Feng, Jian; Zhu, Gangguo; Ackermann, Lutz","Electrooxidative Dearomatization of Biaryls: Synthesis of Tri- and Difluoromethylated Spiro[5.5]trienones","Chemical Science","2021","","","","","10.1039/D1SC02682H","","","0.71073","MoKα","","","0.1223","","","0.3592","0.4064","","","","","","1.006","","","","has coordinates","266727","2021-06-28","00:48:18",""
"1563719","7.3713","0.0004","11.8588","0.0006","20.5481","0.0014","90","","92.123","0.002","90","","1794.97","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","QM-NH2","","- C22 H18 N4 -","- C22 H18 N4 -","- C88 H72 N16 -","4","1","","Koo, Seyoung; Kim, Jong Seung; Sessler, Jonathan L.; Zhu, Weihong; Guo, Zhiqian; Sharma, Amit; Yan, Chenxu; Lee, Jin Yong; Kim, Wonyoung; Li, Mingle; Li, Hao; Won, Miae","Harnessing α-L-fucosidase for in vivo cellular senescence imaging","Chemical Science","2021","","","","","10.1039/D1SC02259H","","","0.71073","MoKα","","0.0868","0.049","","","0.1109","0.1346","","","","","","1.033","","","","has coordinates","266728","2021-06-28","00:48:45",""
"1563741","8.91054","0.00005","7.54833","0.00005","18.54365","0.00011","90","","91.3759","0.0005","90","","1246.88","0.013","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H34 N2 O2 -","- C29 H34 N2 O2 -","- C58 H68 N4 O4 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0267","0.0264","","","0.0731","0.0734","","","","","","1.042","","","","has coordinates","266746","2021-06-28","23:08:29",""
"1563742","10.8479","0.0002","21.3426","0.0002","13.0062","0.0002","90","","110.221","0.002","90","","2825.63","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","2","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0291","0.028","","","0.0701","0.0708","","","","","","0.954","","","","has coordinates","266747","2021-06-28","23:09:10",""
"1563743","11.5437","0.0002","9.9455","0.0002","11.8095","0.0002","90","","102.819","0.001","90","","1322.03","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H40 N2 O4 -","- C30 H40 N2 O4 -","- C60 H80 N4 O8 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0361","0.035","","","0.0928","0.0935","","","","","","1.064","","","","has coordinates","266748","2021-06-28","23:09:41",""
"1563744","20.5395","0.0003","5.87746","0.00009","24.8986","0.0004","90","","98.171","0.0014","90","","2975.25","0.08","296","2","296","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C29 H32 N2 O4 -","- C29 H32 N2 O4 -","- C116 H128 N8 O16 -","4","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0414","0.0392","","","0.1115","0.1133","","","","","","1.077","","","","has coordinates","266749","2021-06-28","23:10:02",""
"1563745","9.0722","0.0003","7.645","0.0003","18.076","0.0006","90","","92.416","0.002","90","","1252.58","0.08","296","2","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N2 O2 -","- C29 H36 N2 O2 -","- C58 H72 N4 O4 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","","1.54178","CuKα","","0.0507","0.0486","","","0.1213","0.1234","","","","","","1.073","","","","has coordinates","266750","2021-06-28","23:10:27",""
"1563746","7.13141","0.00004","15.63357","0.00006","30.34804","0.00013","90","","90","","90","","3383.48","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 N2 O9 -","- C34 H48 N2 O9 -","- C136 H192 N8 O36 -","4","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0371","0.0366","","","0.097","0.0973","","","","","","1.104","","","","has coordinates","266751","2021-06-28","23:11:18",""
"1563747","16.8156","0.0002","9.9046","0.0001","17.1204","0.0002","90","","98.632","0.001","90","","2819.13","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H76 N4 O10 -","- C61 H76 N4 O10 -","- C122 H152 N8 O20 -","2","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54178","CuKα","","0.0518","0.0467","","","0.1267","0.1309","","","","","","1.08","","","","has coordinates,has disorder","266752","2021-06-28","23:11:50",""
"1563748","7.4807","0.0003","8.622","0.0004","9.8229","0.0004","68.545","0.001","71.492","0.001","84.162","0.001","559.09","0.04","120.03","","120.03","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C24 H26 N2 O6 -","2","1","","Ma, Liang; Jin, Feng; Cheng, Xionglve; Tao, Suyan; Jiang, Gangzhong; Li, Xingxing; Yang, Jinwei; Bao, Xiaoguang; Wan, Xiaobing","[2 + 2 + 1] Cycloaddition of N-tosylhydrazones, tert-butyl nitrite and alkenes: a general and practical access to isoxazolines","Chemical Science","2021","","","","","10.1039/D1SC02352G","","","0.71073","MoKα","","0.0505","0.0473","","","0.1272","0.1314","","","","","","1.048","","","","has coordinates","266756","2021-06-29","01:31:04",""
"1563749","12.9594","0.0004","15.028","0.0004","28.0269","0.0011","90","","95.99","0.002","90","","5428.5","0.3","116","2","116","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 N O4 Si -","- C29 H37 N O4 Si -","- C232 H296 N8 O32 Si8 -","8","2","","Wang, Fang-Xin; Yan, Jialei; Liu, Zhixin; Zhu, Tingshun; Liu, Yingguo; Ren, Shichao; Lv, Wen-Xin; Jin, Zhichao; Chi, Yonggui Robin","Assembly of Multicyclic Isoquinoline Scaffolds from Pyridines: Formal Total Synthesis of Fredericamycin A","Chemical Science","2021","","","","","10.1039/D1SC02442F","","x-ray","0.71073","MoKα","","0.1052","0.056","","","0.1248","0.1495","","","","","","1.011","","","","has coordinates","266757","2021-06-29","01:31:42",""
"1563750","6.5078","0.0007","6.7349","0.0007","25.061","0.003","88.115","0.006","87.858","0.006","68.927","0.005","1024","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","2","","Wang, Fang-Xin; Yan, Jialei; Liu, Zhixin; Zhu, Tingshun; Liu, Yingguo; Ren, Shichao; Lv, Wen-Xin; Jin, Zhichao; Chi, Yonggui Robin","Assembly of Multicyclic Isoquinoline Scaffolds from Pyridines: Formal Total Synthesis of Fredericamycin A","Chemical Science","2021","","","","","10.1039/D1SC02442F","","","1.54178","CuKα","","0.0998","0.092","","","0.2722","0.2824","","","","","","1.073","","","","has coordinates,has disorder","266757","2021-06-29","01:31:43",""
"1563751","14.5969","0.0003","18.8022","0.0003","19.7107","0.0003","84.573","0.002","81.247","0.002","89.6","0.002","5322.56","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","diiron(II) helicate of ditopic 2-imidazole-triazole ligand","Iron(II) helicate of 1,3-bis(5-(1H-imidazol-2-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C76 H90 B4 F16 Fe2 N32 -","- C76 H90 B4 F16 Fe2 N32 -","- C152 H180 B8 F32 Fe4 N64 -","2","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.0736","0.0681","","","0.1921","0.1981","","","","","","1.014","","","","has coordinates,has disorder","266758","2021-06-29","01:34:31",""
"1563752","12.7611","0.0003","15.2423","0.0005","25.9116","0.0007","92.82","0.002","101.815","0.002","93.092","0.002","4916.7","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","[Fe2(L4OIm-meta)3](BF4)4","","- C155 H189 B8 F32 Fe4 N59 O34 -","- C155 H189 B8 F32 Fe4 N59 O34 -","- C155 H189 B8 F32 Fe4 N59 O34 -","1","0.5","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","0.71073","MoKα","","0.0892","0.0645","","","0.152","0.1701","","","","","","1.046","","","","has coordinates,has disorder","266758","2021-06-29","01:34:32",""
"1563753","12.9427","0.0004","15.5781","0.0006","26.0851","0.0009","93.702","0.003","101.308","0.003","93.154","0.003","5134.2","0.3","253","0.1","253","0.1","","","","","","","","7","P -1","-P 1","2","","[Fe2(L4OIm-meta)3](BF4)4","","- C76 H90 B4 F16 Fe2 N28 O14 -","- C76 H90 B4 F16 Fe2 N28 O14 -","- C152 H180 B8 F32 Fe4 N56 O28 -","2","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","0.71073","MoKα","","0.1189","0.0871","","","0.2495","0.2745","","","","","","1.059","","","","has coordinates,has disorder","266758","2021-06-29","01:34:32",""
"1563754","17.797","0.0004","18.8632","0.0005","19.229","0.0003","66.217","0.002","73.98","0.002","74.493","0.002","5587.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","diiron(II) helicate of ditopic 4-N-Me-imidazole-triazole ligand","Iron(II) helicate of 1,3-Bis(4-isobutyl-5-(1-methyl-1H-imidazol-4-yl)-4H-1,2,4-triazol-3-yl)benzene","","- C94 H124 B4 F16 Fe2 N36 O -","- C94 H124 B4 F16 Fe2 N36 O -","- C188 H248 B8 F32 Fe4 N72 O2 -","2","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.0756","0.0722","","","0.2104","0.2137","","","","","","1.063","","","","has coordinates","266758","2021-06-29","01:34:32",""
"1563755","13.1754","0.0004","25.7678","0.0007","29.1091","0.0009","90","","94.743","0.003","90","","9848.7","0.5","100.01","0.1","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","diiron(II) helicate of ditopic thiazole-triazole ligand","Iron(II) helicate of 1,3-Bis(4-isobutyl-5-(thiazol-4-yl)-4H-1,2,4-triazol-3-yl)benzene","","- C72 H74 B4 F16 Fe2 N24 S6 -","- C72 H74 B4 F16 Fe2 N24 S6 -","- C288 H296 B16 F64 Fe8 N96 S24 -","4","0.5","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","","1.54184","CuKα","","0.0953","0.0914","","","0.2552","0.2612","","","","","","1.063","","","","has coordinates,has disorder","266758","2021-06-29","01:34:32",""
"1563756","14.3289","0.0004","22.2707","0.0006","35.2655","0.0011","90","","96.353","0.003","90","","11184.6","0.6","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","dinickel(II) helicate of ditopic 2-imidazole-triazole ligand","nickel(II) helicate of 1,3-bis(5-(1H-imidazol-2-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C74 H87 B2 F8 N31 Ni2 -","- C74 H87 B2 F8 N31 Ni2 -","- C296 H348 B8 F32 N124 Ni8 -","4","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.1472","0.1241","","","0.3255","0.3406","","","","","","1.048","","","","has coordinates,has disorder","266758","2021-06-29","01:34:32",""
"1563757","14.0743","0.0003","15.1211","0.0006","27.228","0.0008","105.634","0.003","91.62","0.002","96.749","0.003","5530.7","0.3","100","5","100","5","","","","","","","","7","P -1","-P 1","2","diiron(II) helicate of ditopic oxazole-triazole ligand","Iron(II) helicate of 1,3-Bis(4-isobutyl-5-(oxazol-4-yl)-4H-1,2,4-triazol-3-yl)benzene","","- C84 H96 B4 F16 Fe2 N30 O6 -","- C84 H96 B4 F16 Fe2 N30 O6 -","- C168 H192 B8 F32 Fe4 N60 O12 -","2","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","","1.54184","CuKα","","0.1339","0.0916","","","0.2333","0.2546","","","","","","1.074","","","","has coordinates,has disorder","266758","2021-06-29","01:34:32",""
"1563758","19.9782","0.0004","29.8827","0.0005","37.7594","0.0008","90","","90","","90","","22542.5","0.8","100.02","0.13","100.02","0.13","","","","","","","","6","I b c a","-I 2b 2c","73","dinickel(II) helicate of ditopic 4-imidazole-triazole ligand","nickel(II) helicate of 1,3-Bis(5-(1H-imidazol-4-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C80 H96 B4 F16 N34 Ni2 -","- C80 H96 B4 F16 N34 Ni2 -","- C640 H768 B32 F128 N272 Ni16 -","8","0.5","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.0772","0.0679","","","0.2062","0.2175","","","","","","1.108","","","","has coordinates","266758","2021-06-29","01:34:32",""
"1563759","20.0164","0.0007","30.0399","0.0005","36.915","0.0016","90","","90","","90","","22196.6","1.3","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","diiron(II) helicate of ditopic 4-imidazole-triazole ligand","Iron(II) helicate of 1,3-Bis(5-(1H-imidazol-4-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)benzene","","- C72 H84 B4 F16 Fe2 N30 -","- C72 H84 B4 F16 Fe2 N30 -","- C576 H672 B32 F128 Fe16 N240 -","8","1","","Singh, Sandhya; Brooker, Sally","Correlations between ligand field ΔO, spin crossover T1/2 and redox potential Epa in a family of five dinuclear helicates","Chemical Science","2021","","","","","10.1039/D1SC01458G","","x-ray","1.54184","CuKα","","0.1224","0.0795","","","0.2127","0.2399","","","","","","0.999","","","","has coordinates,has disorder","266758","2021-06-29","01:34:33",""
"1563781","4.4289","0.0002","4.4289","0.0002","6.3663","0.0003","90","","90","","120","","108.146","0.009","298","2","298","2","","","","","","","","2","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Moll, A.; Viennois, R.; Boehm, M.; Koza, M. M.; Sidis, Y.; Rouquette, J.; Laborde, S.; Debray, J.; Menaert, B.; Castellan, J.-P.; Candolfi, C.; Lenoir, B.; Hermet, P.; Beaudhuin, M.","Anharmonicity and Effect of the Nanostructuring on the Lattice Dynamics of CrSi2","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c02738","","","0.71073","MoKα","","0.043","0.0419","","","0.1091","0.1097","","","","","","1.395","","","","has coordinates","266793","2021-06-29","23:41:22",""
"1563782","9.6132","0.0004","17.1589","0.0007","20.1048","0.0009","90","","90","","90","","3316.3","0.2","148","2","148","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O7 S -","- C35 H38 N2 O7 S -","- C140 H152 N8 O28 S4 -","4","1","","Zhong, Xia; Tan, Jiuqi; Qiao, Jianglin; Zhou, Yuqiao; Lv, Cidan; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Asymmetric catalytic synthesis of spirocyclobutyl oxindoles and beyond via [2+2] cycloaddition and sequential transformations","Chemical Science","2021","","","","","10.1039/D1SC02681J","","","1.54178","CuKα","","0.0284","0.0275","","","0.0699","0.071","","","","","","1.058","","","","has coordinates","266795","2021-06-30","01:18:34",""
"1563783","8.349","0.0002","11.812","0.0003","14.8662","0.0004","96.22","0.001","95.738","0.001","105.762","0.001","1389.76","0.06","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O5 S -","- C26 H22 N2 O5 S -","- C52 H44 N4 O10 S2 -","2","1","","Zhong, Xia; Tan, Jiuqi; Qiao, Jianglin; Zhou, Yuqiao; Lv, Cidan; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Asymmetric catalytic synthesis of spirocyclobutyl oxindoles and beyond via [2+2] cycloaddition and sequential transformations","Chemical Science","2021","","","","","10.1039/D1SC02681J","","","1.54178","CuKα","","0.0526","0.0429","","","0.1034","0.111","","","","","","1.037","","","","has coordinates","266795","2021-06-30","01:18:35",""
"1563784","26.3668","0.0007","12.0985","0.0003","22.1997","0.0006","90","","101.169","0.001","90","","6947.5","0.3","174","2","174","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H37 I N2 O7 S -","- C35 H37 I N2 O7 S -","- C280 H296 I8 N16 O56 S8 -","8","1","","Zhong, Xia; Tan, Jiuqi; Qiao, Jianglin; Zhou, Yuqiao; Lv, Cidan; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Asymmetric catalytic synthesis of spirocyclobutyl oxindoles and beyond via [2+2] cycloaddition and sequential transformations","Chemical Science","2021","","","","","10.1039/D1SC02681J","","","1.54178","CuKα","","0.0262","0.0259","","","0.0649","0.0651","","","","","","1.036","","","","has coordinates","266795","2021-06-30","01:18:35",""
"1563800","14.1183","0.0011","5.6152","0.0004","21.6543","0.0017","90","","97.796","0.002","90","","1700.8","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O3 -","- C21 H20 N2 O3 -","- C84 H80 N8 O12 -","4","1","","Wu, Xiao-Feng; wu, Fu-Peng","Pd/Cu-Catalyzed Amide-Enabled Selectivity-Reversed Borocarbonylation of Unactivated Alkenes","Chemical Science","2021","","","","","10.1039/D1SC02785A","","","0.71073","MoKα","","0.0434","0.0396","","","0.1074","0.1108","","","","","","1.074","","","","has coordinates","266824","2021-07-01","01:09:47",""
"1563801","11.8225","0.0005","9.7226","0.0004","20.8398","0.0008","90","","101.343","0.0017","90","","2348.65","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 N P -","- C23 H38 N P -","- C92 H152 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","1.54178","CuKα","","0.04","0.0359","","","0.0977","0.1018","","","","","","1.039","","","","has coordinates","266825","2021-07-01","01:12:17",""
"1563802","6.0042","0.0003","15.3676","0.0006","19.9448","0.0008","90","","90","","90","","1840.31","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N P -","- C19 H30 N P -","- C76 H120 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","1.54178","CuKα","","0.0365","0.0359","","","0.095","0.0962","","","","","","1.109","","","","has coordinates","266825","2021-07-01","01:12:18",""
"1563803","14.6249","0.0013","7.7621","0.0007","24.362","0.002","90","","104.525","0.0021","90","","2677.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 N P -","- C33 H34 N P -","- C132 H136 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.068","0.046","","","0.1115","0.1261","","","","","","1.02","","","","has coordinates","266825","2021-07-01","01:12:18",""
"1563804","10.3569","0.0003","25.3573","0.0008","20.2715","0.0006","90","","94.1057","0.0016","90","","5310.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H59 B F15 N P2 -","- C55 H59 B F15 N P2 -","- C220 H236 B4 F60 N4 P8 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","1.54178","CuKα","","0.0554","0.0456","","","0.1219","0.1316","","","","","","1.027","","","","has coordinates,has disorder","266825","2021-07-01","01:12:18",""
"1563805","11.2216","0.0015","21.266","0.003","14.998","0.002","90","","111.581","0.002","90","","3328.2","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 N P -","- C39 H46 N P -","- C156 H184 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0532","0.0398","","","0.0971","0.1065","","","","","","1.032","","","","has coordinates","266825","2021-07-01","01:12:18",""
"1563806","10.93","0.0002","22.74","0.0004","21.6453","0.0004","90","","90.094","0.001","90","","5379.89","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H79 K N3 O6 P -","- C49 H73 K N3 O6 P -","- C196 H292 K4 N12 O24 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","1.54178","CuKα","","0.0367","0.0327","","","0.0852","0.0884","","","","","","1.034","","","","has coordinates,has disorder","266825","2021-07-01","01:12:18",""
"1563807","11.3511","0.0007","12.5307","0.0008","15.0165","0.0009","90","","95.3326","0.001","90","","2126.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N P -","- C25 H26 N P -","- C100 H104 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0571","0.0459","","","0.1234","0.1331","","","","","","1.03","","","","has coordinates","266825","2021-07-01","01:12:18",""
"1563808","18.1837","0.0004","9.1923","0.0002","22.6189","0.0005","90","","111.127","0.001","90","","3526.62","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H39 B F10 N P -","- C35 H39 B F10 N P -","- C140 H156 B4 F40 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","1.54178","CuKα","","0.0349","0.0335","","","0.0887","0.0902","","","","","","1.015","","","","has coordinates,has disorder","266825","2021-07-01","01:12:18",""
"1563809","10.3933","0.0015","17.413","0.003","20.363","0.003","90","","90","","90","","3685.3","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 B F15 N P -","- C37 H30 B F15 N P -","- C148 H120 B4 F60 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0635","0.0419","","","0.0875","0.0978","","","","","","1.012","","","","has coordinates,has disorder","266825","2021-07-01","01:12:19",""
"1563810","26.746","0.004","26.746","0.004","20.118","0.004","90","","90","","120","","12463","4","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C31 H38 N P -","- C31 H38 N P -","- C558 H684 N18 P18 -","18","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0776","0.0577","","","0.1695","0.1792","","","","","","0.928","","","","has coordinates","266825","2021-07-01","01:12:19",""
"1563811","10.5963","0.0008","10.7434","0.0008","21.9612","0.0016","90","","98.703","0.002","90","","2471.3","0.3","150","2","150","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C57 H47 B D6 F10 N P -","- C57 H47 B D6 F10 N P -","- C114 H94 B2 D12 F20 N2 P2 -","2","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0693","0.0438","","","0.0843","0.0947","","","","","","1.017","","","","has coordinates","266825","2021-07-01","01:12:19",""
"1563812","13.4935","0.001","22.1756","0.0017","11.2515","0.0008","90","","90","","90","","3366.7","0.4","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C17 H16 Cl N2 O3.5 Re -","- C17 H16 Cl N2 O3.5 Re -","- C136 H128 Cl8 N16 O28 Re8 -","8","1","","Kjellberg, Marianne; Ohleier, Alexia; Thuéry, Pierre; Nicolas, Emmanuel; Anthore-Dalion, Lucile; Cantat, Thibault","Photocatalytic Deoxygenation of N‒O bonds with Rhenium Complexes: from the Reduction of Nitrous Oxide to Pyridine N-Oxides","Chemical Science","2021","","","","","10.1039/D1SC01974K","","","0.71073","MoKα","","0.0578","0.0518","","","0.1115","0.1135","","","","","","1.507","","","","has coordinates","266826","2021-07-01","01:13:45",""
"1563813","35.2615","0.0016","8.1575","0.0003","22.7433","0.001","90","","116.166","0.003","90","","5871.6","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 Cl N2 O3.5 Re -","- C33 H32 Cl N2 O3.5 Re -","- C264 H256 Cl8 N16 O28 Re8 -","8","1","","Kjellberg, Marianne; Ohleier, Alexia; Thuéry, Pierre; Nicolas, Emmanuel; Anthore-Dalion, Lucile; Cantat, Thibault","Photocatalytic Deoxygenation of N‒O bonds with Rhenium Complexes: from the Reduction of Nitrous Oxide to Pyridine N-Oxides","Chemical Science","2021","","","","","10.1039/D1SC01974K","","","0.71073","MoKα","","0.0515","0.0298","","","0.055","0.0606","","","","","","1.097","","","","has coordinates,has disorder","266826","2021-07-01","01:13:45",""
"1563814","6.338","0.0003","27.3588","0.0013","7.5392","0.0004","90","","110.458","0.002","90","","1224.84","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 O7 Si -","- C24 H34 O7 Si -","- C48 H68 O14 Si2 -","2","1","","Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun","Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine","Chemical Science","2021","","","","","10.1039/D1SC02919C","","","0.71073","MoKα","","0.0453","0.0374","","","0.0862","0.0915","","","","","","1.02","","","","has coordinates,has disorder","266827","2021-07-01","01:14:48",""
"1563815","5.3394","0.0001","10.5708","0.0002","29.822","0.0006","90","","90","","90","","1683.21","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun","Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine","Chemical Science","2021","","","","","10.1039/D1SC02919C","","","1.54178","CuKα","","0.0528","0.0467","","","0.1109","0.1166","","","","","","1.017","","","","has coordinates","266827","2021-07-01","01:14:48",""
"1563816","8.281","0.0004","26.6332","0.0013","8.0706","0.0004","90","","104.3","0.001","90","","1724.82","0.15","293","2","293.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C72 H80 O32 -","4","1","","Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun","Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine","Chemical Science","2021","","","","","10.1039/D1SC02919C","","","1.54178","CuKα","","0.0926","0.0907","","","0.2789","0.28","","","","","","1.202","","","","has coordinates","266827","2021-07-01","01:14:48",""
"1563817","9.3959","0.0018","10.604","0.002","13.407","0.003","97.634","0.002","101.52","0.002","114.601","0.002","1154.6","0.4","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Ce N4 O10 -","- C22 H17 Ce N4 O10 -","- C44 H34 Ce2 N8 O20 -","2","1","","Zheng, Tianxiang; Kang, Xiaomin; Liu, Zhiliang","Effective enhancement of capacitive performance by the facile exfoliation of bulk metal-organic frameworks into 2D-functionalized nanosheets.","Nanoscale","2021","13","31","13273","13284","10.1039/d1nr02164h","","","0.71073","MoKα","","0.0176","0.0173","","","0.0454","0.0456","","","","","","1.108","","","","has coordinates","268830","2021-09-06","11:49:35",""
"1563818","7.4909","0.0006","10.9201","0.0009","20.472","0.0017","89.07","0.007","80.799","0.006","71.451","0.006","1566.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate","","- C12 H17 I2 O3 P -","- C12 H17 I2 O3 P -","- C48 H68 I8 O12 P4 -","4","2","BT4116","Schollmeyer, Dieter; Sadovski, Oleg; Detert, Heiner","Diethyl [(2,5-diiodo-4-methylphenyl)methyl]phosphonate","IUCrData","2021","6","6","x210654","","10.1107/S2414314621006544","","","0.71073","MoKα","","0.1265","0.0754","","","0.1534","0.1857","","","","","","1.085","","","","has coordinates,has Fobs","266844","2021-07-01","05:28:48",""
"1563819","8.0175","0.0002","14.4611","0.0003","18.5612","0.0004","90","","90","","90","","2152.02","0.08","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","","- C11 H12 N2 O S -","- C11 H12 N2 O S -","- C88 H96 N16 O8 S8 -","8","1","XU4044","Abou, Akoun; Bamba, Fanté; Marrot, Jérôme; Yaya, Soro; Coustard, Jean-Marie","8-Methyl-3-methylsulfanyl-8a,8b-dihydro-5<i>H</i>-1-oxa-2,4-diazaacenaphthylene","IUCrData","2021","6","6","x210674","","10.1107/S241431462100674X","","","0.71073","MoKα","","0.0534","0.0414","","","0.113","0.1293","","","","","","1.081","","","","has coordinates,has Fobs","266845","2021-07-01","05:29:24",""
"1563859","7.6662","0.0015","9.925","0.002","10.643","0.002","90","","90","","90","","809.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,6aS)-3,3-dichloro-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-one","","- C7 H6 Cl2 O2 -","- C7 H6 Cl2 O2 -","- C28 H24 Cl8 O8 -","4","1","","Zhu, Kejie; Jiang, Meifen; Ye, Baijun; Zhang, Guo-Tai; Li, Weijian; Tang, Pei; Huang, Zedu; Chen, Fener","Unified Strategy to Prostaglandins: Chemoenzymatic Total Synthesis of Cloprostenol, Bimatoprost, PGF2, Fluprostenol, and Travoprost Guided by Biocatalytic Retrosynthesis","Chemical Science","2021","","","","","10.1039/D1SC03237B","","","1.34138","GaKα","","0.0304","0.0238","","","0.0594","0.0605","","","","","","1.058","","","","has coordinates","266880","2021-07-02","01:01:52",""
"1563860","11.8475","0.0008","7.3631","0.0004","12.899","0.0008","90","","101.211","0.003","90","","1103.76","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Br2 -","- C30 H20 Br2 -","- C60 H40 Br4 -","2","0.5","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","","0.71073","MoKα","","0.0395","0.0344","","","0.0754","0.0765","","","","","","1.32","","","","has coordinates,has disorder","266881","2021-07-02","01:04:13",""
"1563861","10.2477","0.0007","10.2877","0.0005","10.6997","0.0005","90","","90","","90","","1128.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","0.71073","MoKα","","0.0303","0.029","","","0.0761","0.0769","","","","","","1.063","","","","has coordinates","266881","2021-07-02","01:04:14",""
"1563862","8.025","0.002","26.772","0.007","27.166","0.007","90","","90","","90","","5836","3","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 -","- C81 H68 -","- C324 H272 -","4","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","0.71073","MoKα","","0.0757","0.0529","","","0.1153","0.1249","","","","","","1.057","","","","has coordinates","266881","2021-07-02","01:04:14",""
"1563863","13.254","0.007","14.439","0.008","15.761","0.008","82.961","0.014","67.977","0.01","67.682","0.011","2586","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.79 H63.9 Cl0.1 N0.95 O10 -","- C64.792 H63.896 Cl0.104 N0.948 O10 -","- C129.584 H127.792 Cl0.208 N1.896 O20 -","2","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","0.71073","MoKα","","0.1116","0.0553","","","0.118","0.1389","","","","","","1.04","","","","has coordinates,has disorder","266881","2021-07-02","01:04:14",""
"1563864","10.619","0.0007","11.073","0.0008","11.442","0.0009","88.121","0.003","83.773","0.003","83.522","0.003","1328.63","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 B2 O6 -","- C28 H32 B2 O6 -","- C56 H64 B4 O12 -","2","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","","0.71073","MoKα","","0.0469","0.0433","","","0.1119","0.115","","","","","","1.048","","","","has coordinates,has disorder","266881","2021-07-02","01:04:15",""
"1563865","14.086","0.003","13.495","0.003","22.525","0.005","90","","106.657","0.009","90","","4102.1","1.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H37 Cl O2 -","- C58 H37 Cl O2 -","- C232 H148 Cl4 O8 -","4","2","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","1.54184","CuKα","","0.0659","0.0502","","","0.117","0.1263","","","","","","1.039","","","","has coordinates","266881","2021-07-02","01:04:15",""
"1563866","55.534","0.005","8.9142","0.0009","28.068","0.003","90","","107.883","0.005","90","","13223","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C179 H137 Cl4 O -","- C179 H137 Cl4 O -","- C716 H548 Cl16 O4 -","4","0.5","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","1.54184","CuKα","","0.081","0.0689","","","0.1916","0.2016","","","","","","1.07","","","","has coordinates,has disorder","266881","2021-07-02","01:04:15",""
"1563867","45.887","0.006","6.88","0.0008","12.5759","0.0016","90","","91.572","0.002","90","","3968.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Br2 O6 -","- C48 H46 Br2 O6 -","- C192 H184 Br8 O24 -","4","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","0.71073","MoKα","","0.0623","0.0454","","","0.1372","0.1454","","","","","","1.053","","","","has coordinates","266881","2021-07-02","01:04:16",""
"1563868","17.0179","0.0016","18.63","0.002","38.286","0.009","90","","90","","90","","12138","3","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C81 H76 -","- C81 H76 -","- C648 H608 -","8","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","1.54184","CuKα","","0.1683","0.099","","","0.2441","0.2878","","","","","","1.06","","","","has coordinates,has disorder","266881","2021-07-02","01:04:16",""
"1563901","11.8318","0.0005","14.3813","0.0006","16.3643","0.0006","90","","90","","90","","2784.49","0.19","298.4","0.6","298.4","0.6","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 O11 -","- C31 H36 O11 -","- C124 H144 O44 -","4","1","","Chen, Jian-Jun; Bai, Wei; Lu, Yu-Bo; Feng, Zi-Yun; Gao, Kun; Yue, Jian-Min","Quassinoids with Inhibitory Activities against Plant Fungal Pathogens from <i>Picrasma javanica</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00096","","","1.54184","CuKα","","0.0705","0.0661","","","0.1938","0.2033","","","","","","1.113","","","","has coordinates","266917","2021-07-02","23:14:37",""
"1563902","11.3919","0.0005","12.9423","0.0006","21.1734","0.0012","90","","90","","90","","3121.8","0.3","280","2","280","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cl6 O8 -","- C25 H34 Cl6 O8 -","- C100 H136 Cl24 O32 -","4","1","","Chen, Jian-Jun; Bai, Wei; Lu, Yu-Bo; Feng, Zi-Yun; Gao, Kun; Yue, Jian-Min","Quassinoids with Inhibitory Activities against Plant Fungal Pathogens from <i>Picrasma javanica</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00096","","","1.54184","CuKα","","0.0628","0.0563","","","0.1554","0.1654","","","","","","1.025","","","","has coordinates,has disorder","266918","2021-07-02","23:14:59",""
"1563903","33.83","0.004","28.509","0.003","19.234","0.002","90","","90","","90","","18550","4","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C180 H150 Au13 Cl5 N20 -","- C180 H150 Au13 Cl5 N20 -","- C720 H600 Au52 Cl20 N80 -","4","1","","Yi, Hong; Crudden, Cathleen; Nambo, Masakazu; Aramaki, Yoshitaka; Veinot, Alex J.; Ooi, Takashi; Levchenko, Tetyana I.; Osten, Kimberly M.","Synthesis and enantioseparation of chiral Au13 nanoclusters protected by bis-N-heterocyclic carbene ligands","Chemical Science","2021","","","","","10.1039/D1SC03076K","","","0.71075","MoKα","","0.0864","0.0488","","","0.0965","0.1193","","","","","","1.095","","","","has coordinates","266919","2021-07-03","01:08:17",""
"1563904","29.1943","0.0005","9.74","0.0002","26.3028","0.0004","90","","114.091","0.001","90","","6827.8","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93 H72 Au Cl N2 -","- C93 H72 Au Cl N2 -","- C372 H288 Au4 Cl4 N8 -","4","0.5","","Zhao, Qun; Meng, Guangrong; Li, Guangchen; Flach, Carol R.; Mendelsohn, Richard; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","IPr# - Highly Hindered, Broadly Applicable N-Heterocyclic Carbenes","Chemical Science","2021","","","","","10.1039/D1SC02619D","","","1.54178","CuKα","","0.0228","0.0224","","","0.0567","0.0573","","","","","","1.069","","","","has coordinates","266920","2021-07-03","01:08:58",""
"1563905","14.037","0.001","15.0707","0.0011","21.0521","0.0015","99.161","0.004","95.616","0.005","102.56","0.004","4250.7","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H85 Cl5 N2 Pd -","- C104 H85 Cl5 N2 Pd -","- C208 H170 Cl10 N4 Pd2 -","2","1","","Zhao, Qun; Meng, Guangrong; Li, Guangchen; Flach, Carol R.; Mendelsohn, Richard; Lalancette, Roger A.; Szostak, Roman; Szostak, Michal","IPr# - Highly Hindered, Broadly Applicable N-Heterocyclic Carbenes","Chemical Science","2021","","","","","10.1039/D1SC02619D","","","1.54178","CuKα","","0.0671","0.0565","","","0.166","0.1727","","","","","","1.063","","","","has coordinates","266920","2021-07-03","01:09:08",""
"1563906","9.1212","0.0005","8.4842","0.0004","20.1475","0.001","90","","90.27","0.002","90","","1559.12","0.14","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","2","","Trost, Barry M.; Jiao, Zhiwei; Gholami, Hadi","Palladium-Catalyzed Asymmetric Allylic Alkylation (AAA) with Alkyl Sulfones as Nucleophiles","Chemical Science","2021","","","","","10.1039/D1SC02599F","","","1.54178","CuKα","","0.0264","0.0258","","","0.0647","0.0652","","","","","","1.022","","","","has coordinates","266921","2021-07-03","01:09:34",""
"1563907","5.696","0.004","5.696","0.004","9.387","0.004","90","","90","","120","","263.8","0.3","293","","293","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Ga1.069 O8 V3.931 -","- Ga1.069 O8 V3.931 -","- Ga2.138 O16 V7.862 -","2","0.166667","","Aguilar-Maldonado, Cintli; Mentré, Olivier; Tsirlin, Alexander A.; Ritter, Clemens; Missiul, Aleksandr; Fauth, Francois; Arévalo-López, Angel M.","Hybrid electrons in the trimerized GaV4O8","Materials Horizons","2021","8","8","2325","2329","10.1039/D1MH00390A","","x-ray","0.56087","AgKα","","0.0344","0.0238","","","0.0449","0.0485","","","","1.19","1.19","1.18","","","","has coordinates","268967","2021-09-06","12:41:54",""
"1563938","10.4941","0.0001","26.3302","0.0003","11.529","0.0001","90","","100.015","0.0005","90","","3137.05","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrabutylammonium chloride complex with rac-1,1'-bi-2-naphthol","","- C36 H50 Cl N O2 -","- C36 H50 Cl N O2 -","- C144 H200 Cl4 N4 O8 -","4","1","","MARFO-OWUSU, Emmanuel; THOMPSON, Amber L.","Crystal Structure of Tetrabutylammonium Chloride Complex with <i>Rac</i>-1,1′-bi-2-naphthol: The Inclusion of Surfactant Molecules by Hydrogen Bonded Binaphthol Molecules","X-ray Structure Analysis Online","2021","37","0","27","28","10.2116/xraystruct.37.27","","","0.71073","MoKα","","0.0675","0.0453","","0.1011","0.0925","0.1011","","","","","","0.9553","","","","has coordinates","267256","2021-07-05","18:25:16",""
"1563939","9.193","0.0005","15.2507","0.0007","11.8959","0.0005","90","","95.749","0.005","90","","1659.41","0.14","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cu I N3 -","- C17 H19 Cu I N3 -","- C68 H76 Cu4 I4 N12 -","4","1","","OHKITA, Misaki; FUJIWARA, Aya; NISHIYAMA, Tomoki; MAEKAWA, Masahiko; KURODA-SOWA, Takayoshi; OKUBO, Takashi","Crystal Structure of an Iodido-bridged Dinuclear Copper(I) Complex with 3,6-Bis(dimethylamino)acridine","X-ray Structure Analysis Online","2021","37","0","29","31","10.2116/xraystruct.37.29","","","0.71073","MoKα","","0.0332","0.0279","","","0.0697","0.0719","","","","","","1.046","","","","has coordinates","267257","2021-07-05","18:25:36",""
"1563940","6.7532","0.0002","9.4136","0.0003","14.1529","0.0004","109.249","0.0011","93.9771","0.0013","92.7275","0.0013","845.01","0.04","200","","200","","","","","","","","","3","P -1","-P 1","2","","Rac-(2aR,4aR,11aR)-4a-butyl-4a,10-dihydrocyclobuta[3a',4']pentaleno- [1',2':1,2]indeno[5,6-d][1,3]dioxol-11(2aH)-one","","- C22 H20 O3 -","- C22 H20 O3 -","- C44 H40 O6 -","2","1","","Di Filippo, Mara; Trujillo, Cristina; Sánchez-Sanz, Goar; Batsanov, Andrei Stepanovich; Baumann, Marcus","Discovery of a Photochemical Cascade Process by Flow-Based Interception of Isomerising Alkenes","Chemical Science","2021","","","","","10.1039/D1SC02879K","","x-ray","0.71073","MoKα","","0.0603","0.046","","","0.1101","0.1178","","","","","","1.025","","","","has coordinates","267259","2021-07-06","01:20:59",""
"1563941","6.8756","0.0002","8.8807","0.0002","14.0693","0.0003","84.736","0.001","86.7728","0.0011","81.7271","0.001","845.74","0.04","120","","120","","","","","","","","","3","P -1","-P 1","2","","Rac-4c-Butyl-4c,11-dihydro-10H-azuleno[1',2':1,2]indeno[5,6-d][1,3]dioxol-10-one","","- C22 H20 O3 -","- C22 H20 O3 -","- C44 H40 O6 -","2","1","","Di Filippo, Mara; Trujillo, Cristina; Sánchez-Sanz, Goar; Batsanov, Andrei Stepanovich; Baumann, Marcus","Discovery of a Photochemical Cascade Process by Flow-Based Interception of Isomerising Alkenes","Chemical Science","2021","","","","","10.1039/D1SC02879K","","x-ray","0.71073","MoKα","","0.0705","0.055","","","0.1394","0.1486","","","","","","1.04","","","","has coordinates","267259","2021-07-06","01:21:00",""
"1563942","6.5413","0.0001","6.8326","0.0001","38.8317","0.0004","90","","90","","90","","1735.55","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0626","0.0628","","","","","","1.036","","","","has coordinates","267260","2021-07-06","01:23:50",""
"1563943","6.5336","0.0002","7.004","0.0002","25.2509","0.0008","90","","90","","90","","1155.51","0.06","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","","1.54178","CuKα","","0.0338","0.0333","","","0.0899","0.0905","","","","","","1.046","","","","has coordinates","267260","2021-07-06","01:23:51",""
"1563944","7.4401","0.0003","6.6742","0.0003","15.2681","0.0006","90","","96.371","0.001","90","","753.48","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","","1.54178","CuKα","","0.0272","0.027","","","0.0708","0.071","","","","","","1.096","","","","has coordinates","267260","2021-07-06","01:23:51",""
"1563945","12.5354","0.0001","10.511","0.0001","18.5559","0.0001","90","","98.22","0.001","90","","2419.8","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 S -","- C22 H24 N2 O6 S -","- C88 H96 N8 O24 S4 -","4","2","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","x-ray","1.54184","CuKα","","0.0309","0.03","","","0.0789","0.0795","","","","","","1.102","","","","has coordinates","267260","2021-07-06","01:23:51",""
"1563946","9.509","0.009","9.57","0.01","10.324","0.01","63.11","0.02","79.79","0.02","81.27","0.03","821.9","1.4","293","2","293","","","","","","","","","4","P -1","-P 1","2","TPAN-Cl","","","- C21 H14 Cl N -","- C21 H14 Cl N -","- C42 H28 Cl2 N2 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.1979","0.0786","","","0.179","0.2388","","","","","","1.03","","","","has coordinates","267261","2021-07-06","01:26:35",""
"1563947","9.9437","0.0005","10.8454","0.0005","11.7215","0.0005","102.807","0.002","93.095","0.002","115.385","0.002","1097.58","0.09","153","2","153.35","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 I N3 -","- C25 H24 I N3 -","- C50 H48 I2 N6 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0391","0.0295","","","0.067","0.0715","","","","","","1.036","","","","has coordinates","267261","2021-07-06","01:26:39",""
"1563948","8.4617","0.0008","9.9195","0.0009","10.0112","0.001","106.884","0.005","104.687","0.005","91.445","0.005","773.36","0.13","150","2","150","","","","","","","","","4","P -1","-P 1","2","TPAN-F","","","- C21 H14 F N -","- C21 H14 F N -","- C42 H28 F2 N2 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.1154","0.0542","","","0.1023","0.1276","","","","","","1.032","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563949","10.6861","0.0005","21.3893","0.001","10.0313","0.0006","90","","115.138","0.002","90","","2075.68","0.19","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F N3 -","- C25 H24 F N3 -","- C100 H96 F4 N12 -","4","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.1011","0.0512","","","0.1037","0.1259","","","","","","1.047","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563950","10.4826","0.0006","21.4895","0.0011","9.9353","0.0004","90","","114.143","0.002","90","","2042.31","0.18","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0587","0.0396","","","0.0926","0.1056","","","","","","1.031","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563951","9.4954","0.0009","9.5538","0.0008","10.1628","0.0009","63.011","0.004","81.004","0.004","80.806","0.004","807.29","0.13","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","TPAN-Br","","","- C21 H14 Br N -","- C21 H14 Br N -","- C42 H28 Br2 N2 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0589","0.0402","","","0.0855","0.097","","","","","","1.045","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563952","11.0058","0.0006","21.0329","0.0009","10.2712","0.0005","90","","116.795","0.002","90","","2122.32","0.18","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N3 -","- C25 H24 Cl N3 -","- C100 H96 Cl4 N12 -","4","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0718","0.0429","","","0.1129","0.144","","","","","","1.133","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563953","9.2457","0.0005","10.269","0.0006","12.5126","0.0007","79.213","0.003","71.43","0.002","73.837","0.003","1075.28","0.11","153","2","152.66","","","","","","","","","4","P -1","-P 1","2","NTPAN-I","","","- C25 H24 I N3 -","- C25 H24 I N3 -","- C50 H48 I2 N6 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0462","0.0332","","","0.0719","0.0775","","","","","","1.061","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563954","9.6674","0.0004","9.7329","0.0004","10.2634","0.0007","63.694","0.002","81.39","0.003","80.864","0.002","851.27","0.08","295","2","295","","","","","","","","","4","P -1","-P 1","2","TPAN-I","","","- C21 H14 I N -","- C21 H14 I N -","- C42 H28 I2 N2 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","1.54178","CuKα","","0.106","0.1053","","","0.2529","0.2556","","","","","","1.207","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563955","9.8541","0.0006","10.6234","0.0006","11.7377","0.0007","102.009","0.003","94.363","0.003","114.749","0.002","1072.89","0.11","150","2","150.48","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 Br N3 -","- C25 H24 Br N3 -","- C50 H48 Br2 N6 -","2","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0438","0.0322","","","0.0784","0.0842","","","","","","1.024","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563956","9.852","0.0018","9.5451","0.0016","16.504","0.002","90","","104.615","0.005","90","","1501.8","0.4","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","TPAN","","","- C21 H15 N -","- C21 H15 N -","- C84 H60 N4 -","4","1","","Xiong, Zuping; Zhang, Xiaoxiao; Liu, Longxiang; Zhu, Qiaozhi; Wang, Zhenni; Feng, Hui; Qian, Zhaosheng","Achieving Highly Efficient Aggregation-Induced Emission, Reversible and Irreversible Photochromism by Heavy Halogen-Regulated Photophysics and D-A Molecular Pattern-Controlled Photochemistry of Through-Space Conjugated Lumingens","Chemical Science","2021","","","","","10.1039/D1SC02168K","","","0.71073","MoKα","","0.0988","0.0558","","","0.1223","0.1435","","","","","","1.037","","","","has coordinates","267261","2021-07-06","01:26:49",""
"1563957","13.4687","0.0015","14.8959","0.0017","21.264","0.002","90","","90","","90","","4266.2","0.8","100","","100","","","","","","","","","4","P n n m","-P 2 2n","58","","MOF-711","","- C16 H8 O16 Zr3 -","- C16 H8 O15.941 Zr3 -","- C64 H32 O63.764 Zr12 -","4","0.5","","Lee, Seungkyu; Yaghi, Omar M.","'Eye' of the molecule-a viewpoint.","Faraday discussions","2021","231","0","145","149","10.1039/d1fd00032b","","","0.7749","synchrotron","","0.0522","0.041","","","0.1068","0.1111","","","","","","0.999","","","","has coordinates,has disorder","270455","2021-11-06","20:11:02",""
"1563958","4.5333","0.0007","21.946","0.004","15.968","0.003","90","","95.627","0.004","90","","1581","0.5","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Spesivaya, Ekaterina S.; Lupanova, Ida A.; Konshina, Dzhamilya N.; Konshin, Valery V.","1,2-Bis(4-(1,3-dioxolan-2-yl)phenyl)diazene Oxide","Molbank","2021","2021","2","M1224","","10.3390/M1224","","","0.71073","MoKα","","0.1119","0.0636","","","0.1395","0.1635","","","","","","1.03","","","","has coordinates,has disorder","267265","2021-07-06","02:34:26",""
"1563992","13.919","0.0002","7.7504","0.0001","18.629","0.0002","90","","92.981","0.001","90","","2006.94","0.04","99.9","1","99.9","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H38 N2 O9 -","- C28 H38 N2 O9 -","- C56 H76 N4 O18 -","2","1","","Xie, Yuhui; Guo, Lang; Huang, Jie; Huang, Xiaolong; Cong, Ziwen; Liu, Qianqian; Wang, Qianshu; Pang, Xiaoyan; Xiang, Songtao; Zhou, Xuefeng; Liu, Yonghong; Wang, Junjian; Wang, Junfeng","Cyclopentenone-Containing Tetrahydroquinoline and Geldanamycin Alkaloids from Streptomyces malaysiensis as Potential Anti-Androgens against Prostate Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00297","","x-ray","1.54184","CuKα","","0.0547","0.0477","","","0.131","0.1361","","","","","","1.038","","","","has coordinates","267307","2021-07-06","23:18:17",""
"1563993","7.742","0.00009","18.7784","0.0002","20.7717","0.0003","90","","90","","90","","3019.84","0.06","105","7","105","7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O9 -","- C29 H40 N2 O9 -","- C116 H160 N8 O36 -","4","1","","Xie, Yuhui; Guo, Lang; Huang, Jie; Huang, Xiaolong; Cong, Ziwen; Liu, Qianqian; Wang, Qianshu; Pang, Xiaoyan; Xiang, Songtao; Zhou, Xuefeng; Liu, Yonghong; Wang, Junjian; Wang, Junfeng","Cyclopentenone-Containing Tetrahydroquinoline and Geldanamycin Alkaloids from Streptomyces malaysiensis as Potential Anti-Androgens against Prostate Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00297","","x-ray","1.54184","CuKα","","0.0641","0.0575","","","0.1403","0.1428","","","","","","1.064","","","","has coordinates","267308","2021-07-06","23:18:41",""
"1563994","24.555","0.0007","11.5883","0.0003","37.9435","0.001","90","","108.319","0.0014","90","","10249.7","0.5","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C56 H55 O7 P -","- C56 H55 O7 P -","- C448 H440 O56 P8 -","8","1","","Iadevaia, Giulia; Swain, Jonathan A.; Núñez-Villanueva, Diego; Bond, Andrew D.; Hunter, Christopher A.","Folding and duplex formation in mixed sequence recognition-encoded m-phenylene ethynylene polymers","Chemical Science","2021","","","","","10.1039/D1SC02288A","","","1.54178","CuKα","","0.1842","0.1418","","","0.387","0.4299","","","","","","1.039","","","","has coordinates,has disorder","267313","2021-07-07","01:13:17",""
"1564018","7.3373","0.0005","14.2535","0.0009","9.9567","0.0006","90","","90.05","0.004","90","","1041.29","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br F2 N O -","- C11 H8 Br F2 N O -","- C44 H32 Br4 F8 N4 O4 -","4","1","","Box, John R.; Atkins, Alexander P.; Lennox, Alastair J. J.","Direct electrochemical hydrodefluorination of trifluoromethylketones enabled by non-protic conditions","Chemical Science","2021","","","","","10.1039/D1SC01574E","","","0.71073","MoKα","","0.0307","0.0282","","","0.064","0.0647","","","","","","1.184","","","","has coordinates","267355","2021-07-08","01:29:23",""
"1564019","9.0585","0.0014","15.851","0.003","16.47","0.003","100.971","0.005","101.37","0.005","104.503","0.005","2171.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","(ditertbutyl-N^N^C)platinum(II)rhodamine actilyde complex","","- C50 H45 N3 O3 Pt -","- C50 H45 N3 O3 Pt -","- C100 H90 N6 O6 Pt2 -","2","1","","Zhao, Shunan; zhu, yifan; Li, Ling; GUERCHAIS, Veronique; Boixel, Julien; Wong, Keith Man-Chung","Switchable Phosphorescence and Delayed Fluorescence of a New Rhodamine-Like Dye Through the Allenylidene Formation in a Cyclometallated Platinum(II) System","Chemical Science","2021","","","","","10.1039/D1SC02787E","","x-ray","0.71073","MoKα","","0.0683","0.049","","","0.1216","0.1402","","","","","","1","","","","has coordinates,has disorder","267356","2021-07-08","01:30:11",""
"1564020","11.4845","0.0019","24.408","0.005","17.785","0.004","90","","91.637","0.007","90","","4983.3","1.7","150","","150","","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","'Rhodamine-based (4,4?-di(n-hexyl)-6-phenyl-2,2?-bipyridine)platinum(II) acetylide'","","- C51 H49 Cl2 N3 O3 Pt -","- C51 H49 Cl2 N3 O3 Pt -","- C204 H196 Cl8 N12 O12 Pt4 -","4","1","","Zhao, Shunan; zhu, yifan; Li, Ling; GUERCHAIS, Veronique; Boixel, Julien; Wong, Keith Man-Chung","Switchable Phosphorescence and Delayed Fluorescence of a New Rhodamine-Like Dye Through the Allenylidene Formation in a Cyclometallated Platinum(II) System","Chemical Science","2021","","","","","10.1039/D1SC02787E","","x-ray","0.71073","MoKα","","0.1347","0.0878","","","0.2174","0.2352","","","","","","1.08","","","","has coordinates","267356","2021-07-08","01:30:21",""
"1564021","8.4348","0.0006","12.8004","0.0009","29.548","0.002","90","","97.833","0.003","90","","3160.5","0.4","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Ir N6 S2 -","- C36 H33 Ir N6 S2 -","- C144 H132 Ir4 N24 S8 -","4","1","","Wu, Yuan; Yang, Chen; Liu, Jie; Zhang, Meng; Liu, Weiqiang; Li, Wansi; Wu, Chengcheng; Cheng, Gang; Yang, Qingdan; Wei, Guodan; Che, Chi-Ming","Phosphorescent [3 + 2 + 1] coordinated Ir(iii) cyano complexes for achieving efficient phosphors and their application in OLED devices","Chemical Science","2021","","","","","10.1039/D1SC01426A","","","0.71073","MoKα","","0.0716","0.0512","","","0.116","0.1249","","","","","","1.038","","","","has coordinates","267357","2021-07-08","01:32:27",""
"1564022","8.448","0.01","19.35","0.02","19.23","0.02","90","","95.01","0.02","90","","3131","6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 F2 Ir N7 O -","- C34 H34 F2 Ir N7 O -","- C136 H136 F8 Ir4 N28 O4 -","4","1","","Wu, Yuan; Yang, Chen; Liu, Jie; Zhang, Meng; Liu, Weiqiang; Li, Wansi; Wu, Chengcheng; Cheng, Gang; Yang, Qingdan; Wei, Guodan; Che, Chi-Ming","Phosphorescent [3 + 2 + 1] coordinated Ir(iii) cyano complexes for achieving efficient phosphors and their application in OLED devices","Chemical Science","2021","","","","","10.1039/D1SC01426A","","","0.71073","MoKα","","0.0691","0.036","","","0.0579","0.0649","","","","","","1.009","","","","has coordinates","267357","2021-07-08","01:32:28",""
"1564023","8.437","","13.5","","15.212","","64.91","","89.28","","86.97","","1566.87","","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H37 Br Ir N5 O S2 -","- C31 H37 Br Ir N5 O S2 -","- C62 H74 Br2 Ir2 N10 O2 S4 -","2","1","","Wu, Yuan; Yang, Chen; Liu, Jie; Zhang, Meng; Liu, Weiqiang; Li, Wansi; Wu, Chengcheng; Cheng, Gang; Yang, Qingdan; Wei, Guodan; Che, Chi-Ming","Phosphorescent [3 + 2 + 1] coordinated Ir(iii) cyano complexes for achieving efficient phosphors and their application in OLED devices","Chemical Science","2021","","","","","10.1039/D1SC01426A","","","0.71073","MoKα","","0.0696","0.0457","","","0.0951","0.1047","","","","","","1.039","","","","has coordinates","267357","2021-07-08","01:32:28",""
"1564070","24.113","0.0004","15.1675","0.0003","16.6699","0.0003","90","","104.8","0.002","90","","5894.48","0.19","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 N8 Ru2 S2 -","- C70 H58 N8 Ru2 S2 -","- C280 H232 N32 Ru8 S8 -","4","0.5","","Ogawa, Shiori; Chattopadhyay, Swarup; Tanaka, Yuya; Ohto, Tatsuhiko; Tada, Tomofumi; Tada, Hirokazu; Fujii, Shintaro; Nishino, Tomoaki; Akita, Munetaka","Control of Dominant Conduction Orbitals by Peripheral Substituents in Paddle-Wheel Diruthenium Alkynyl Molecular Junctions","Chemical Science","2021","","","","","10.1039/D1SC02407H","","x-ray","1.54184","CuKα","","0.0314","0.0307","","","0.0833","0.0839","","","","","","1.065","","","","has coordinates","267414","2021-07-09","01:05:08",""
"1564071","12.3318","0.0007","13.7567","0.0008","15.6187","0.0009","68.497","0.005","86.771","0.004","67.279","0.005","2262.7","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H50 F24 N8 Ru2 S2 -","- C78 H50 F24 N8 Ru2 S2 -","- C78 H50 F24 N8 Ru2 S2 -","1","0.5","","Ogawa, Shiori; Chattopadhyay, Swarup; Tanaka, Yuya; Ohto, Tatsuhiko; Tada, Tomofumi; Tada, Hirokazu; Fujii, Shintaro; Nishino, Tomoaki; Akita, Munetaka","Control of Dominant Conduction Orbitals by Peripheral Substituents in Paddle-Wheel Diruthenium Alkynyl Molecular Junctions","Chemical Science","2021","","","","","10.1039/D1SC02407H","","x-ray","1.54184","CuKα","","0.1125","0.1068","","","0.2854","0.294","","","","","","1.326","","","","has coordinates,has disorder","267414","2021-07-09","01:05:09",""
"1564072","14.9221","0.0003","19.5861","0.0004","23.0841","0.0003","90","","94.565","0.002","90","","6725.3","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H50 Cl8 N8 Ru2 S2 -","- C70 H50 Cl8 N8 Ru2 S2 -","- C280 H200 Cl32 N32 Ru8 S8 -","4","1","","Ogawa, Shiori; Chattopadhyay, Swarup; Tanaka, Yuya; Ohto, Tatsuhiko; Tada, Tomofumi; Tada, Hirokazu; Fujii, Shintaro; Nishino, Tomoaki; Akita, Munetaka","Control of Dominant Conduction Orbitals by Peripheral Substituents in Paddle-Wheel Diruthenium Alkynyl Molecular Junctions","Chemical Science","2021","","","","","10.1039/D1SC02407H","","x-ray","1.54184","CuKα","","0.0505","0.0462","","","0.1196","0.1228","","","","","","1.037","","","","has coordinates,has disorder","267414","2021-07-09","01:05:09",""
"1564073","9.93013","0.00009","33.0819","0.0003","23.3061","0.0003","90","","94.7559","0.001","90","","7629.87","0.14","173","0.1","173","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C80 H74 F4 N8 O2 S3 -","- C80 H74 F4 N8 O2 S3 -","- C320 H296 F16 N32 O8 S12 -","4","0.5","","Li, Xiaojun; Luo, Siwei; sun, huiliang; Liu, Tao; Sung, Herman H-Y.; Yu, Han; Xiao, Yiqun; Bai, Fujin; Pan, Mingao; Lu, Xinhui; Williams, Ian Duncan; Guo, Xugang; Li, Yongfang; Yan, He","Medium Band-Gap Non-fullerene Acceptors Based on Benzothiophene Donor Moiety Enabling High-Performance Indoor Organic Photovoltaics","Energy & Environmental Science","2021","","","","","10.1039/D1EE00687H","","x-ray","1.54184","CuKα","","0.0564","0.0516","","","0.1569","0.1648","","","","","","1.032","","","","has coordinates,has disorder","267418","2021-07-09","02:02:12",""
"1564104","16.627","0.006","18.03","0.007","21.293","0.008","90","","90","","90","","6383","4","150","","150","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","","- C32 H24 B N10 Ni O4 -","- C32 H25 B N10 Ni O4 -","- C256 H200 B8 N80 Ni8 O32 -","8","1","BV4040","Salerno, Elvin V.; Kadel, Lava R.; Eichhorn, David M.","Ethanol(nitrato)[tris(4-cyano-3-phenyl-1<i>H</i>-pyrazol-1-yl)hydroborato]nickel(II)","IUCrData","2021","6","7","x210690","","10.1107/S2414314621006908","","x-ray","0.71073","MoKα","","0.0868","0.0479","","","0.1229","0.1464","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","267459","2021-07-10","04:52:59",""
"1564105","27.995","0.004","22.437","0.003","41.691","0.005","90","","94.178","0.004","90","","26118","6","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C193 H184 Cl3 F108 N10 O53 Tb6 -","- C193 H184 Cl3 F108 N10 O53 Tb6 -","- C772 H736 Cl12 F432 N40 O212 Tb24 -","4","1","","Houard, Félix V.; Bernot, Kevin; Mannini, Matteo; Guillou, Olivier; Daiguebonne, Carole; Calvez, Guillaume; Le Guennic, Boris; Guizouarn, Thierry; Suffren, Yan; Gendron, Frédéric; Dorcet, Vincent","Single-Chain Magnet Behavior in a Finite Linear Hexanuclear Molecule","Chemical Science","2021","","","","","10.1039/D1SC02033A","","x-ray","0.71073","MoKα","","0.0738","0.0472","","","0.1039","0.1181","","","","","","1.017","","","","has coordinates,has disorder","267461","2021-07-11","00:48:24",""
"1564106","24.13","0.005","3.759","0.0008","11.591","0.002","90","","103.34","0.03","90","","1023","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","BPPFTzTz","","- C26 H14 F2 N4 S2 -","- C26 H14 F2 N4 S2 -","- C52 H28 F4 N8 S4 -","2","0.5","","Doheny, Patrick W.; Hua, Carol; Chan, Bun; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M","Substituent effects on through-space intervalence charge transfer in cofacial metal-organic frameworks.","Faraday discussions","2021","231","0","152","167","10.1039/d1fd00021g","","","0.71073","Synchrotron","","0.2435","0.1896","","","0.4316","0.4737","","","","","","1.016","","","","has coordinates,has disorder","270452","2021-11-06","20:10:24",""
"1564107","26.0566","0.0002","18.5354","0.0002","15.6738","0.0001","90","","90","","90","","7569.97","0.11","150.01","0.1","150.01","0.1","","","","","","","","7","P c c n","-P 2ab 2ac","56","","ZnFTzTz","","- C38 H30 F2 N6 O6 S3 Zn -","- C32 H16 F2 N4 O4 S3 Zn -","- C256 H128 F16 N32 O32 S24 Zn8 -","8","1","","Doheny, Patrick W.; Hua, Carol; Chan, Bun; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M","Substituent effects on through-space intervalence charge transfer in cofacial metal-organic frameworks.","Faraday discussions","2021","231","0","152","167","10.1039/d1fd00021g","","x-ray","1.54184","CuKα","","0.071","0.0653","","","0.2036","0.2099","","","","","","1.03","","","","has coordinates,has disorder","270452","2021-11-06","20:10:24",""
"1564108","48.0435","0.0005","12.5444","0.0001","16.9753","0.0002","90","","90.618","0.001","90","","10230","0.18","169.99","0.11","169.99","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H59 Cl2 Fe N3 -","- C59 H59 Cl2 Fe N3 -","- C472 H472 Cl16 Fe8 N24 -","8","1","","Guo, Liwei; Zhang, Wenjuan; Cao, Furong; Jiang, Youshu; Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Remote dibenzocycloheptyl substitution on a bis(arylimino)pyridyl-iron ethylene polymerization catalyst; enhanced thermal stability and unexpected effects on polymer properties","Polymer Chemistry","2021","12","29","4214","4225","10.1039/D1PY00660F","","x-ray","1.54184","CuKα","","0.0722","0.0597","","","0.1736","0.1919","","","","","","1.059","","","","has coordinates,has disorder","268960","2021-09-06","12:39:37",""
"1564109","21.6551","0.0004","17.1174","0.0003","16.8958","0.0003","90","","102.716","0.002","90","","6109.3","0.2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H55 Cl2 Fe N3 -","- C57 H55 Cl2 Fe N3 -","- C228 H220 Cl8 Fe4 N12 -","4","1","","Guo, Liwei; Zhang, Wenjuan; Cao, Furong; Jiang, Youshu; Zhang, Randi; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Sun, Wen-Hua","Remote dibenzocycloheptyl substitution on a bis(arylimino)pyridyl-iron ethylene polymerization catalyst; enhanced thermal stability and unexpected effects on polymer properties","Polymer Chemistry","2021","12","29","4214","4225","10.1039/D1PY00660F","","","0.71073","MoKα","","0.13","0.0783","","","0.1812","0.204","","","","","","1.029","","","","has coordinates,has disorder","268960","2021-09-06","12:39:38",""
"1564110","5.8565","0.0007","8.6565","0.0012","36.543","0.006","90","","90","","90","","1852.6","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Giuri, Demetra; Marshall, Libby J.; Wilson, Claire; Seddon, Annela; Adams, Dave J.","Understanding gel-to-crystal transitions in supramolecular gels.","Soft matter","2021","17","30","7221","7226","10.1039/d1sm00770j","","","0.71073","MoKα","","0.0947","0.0487","","","0.0833","0.0992","","","","","","1.017","","","","has coordinates","268966","2021-09-06","12:41:35",""
"1564145","12.1451","0.0016","7.7606","0.0007","9.2513","0.001","90","","101.719","0.011","90","","853.79","0.17","170.9","","170.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O2 S2 -","- C6 H9 N O2 S2 -","- C24 H36 N4 O8 S8 -","4","1","","Bai, Tianwen; Zhou, Peng; Li, Zixian; Zheng, Botuo; Ling, Jun","Seeding Crystals, Harvesting Polypeptides: Preparing Long Chiral-Sequence Controlled Polypeptides by Interlocked Polymerization in Cocrystals (iPiC) of N-Thiocarboxyanhydride (NTA) at Room Temperature","Macromolecules","2021","","","","","10.1021/acs.macromol.1c00371","","","0.7107","MoKα","","0.0689","0.0569","","","0.1284","0.1383","","","","","","1.047","","","","has coordinates","267518","2021-07-13","23:51:37",""
"1564146","14.8197","0.0007","9.1753","0.0005","39.094","0.002","90","","94.49","0.005","90","","5299.5","0.5","173","0.2","173","0.2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C49.8 H81.1 O15.75 -","- C49.8 H81.09 O15.745 -","- C199.2 H324.36 O62.98 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.0982","0.0971","","","0.2572","0.2584","","","","","","1.052","","","","has coordinates","267527","2021-07-14","07:41:43",""
"1564147","16.7127","0.0002","24.5777","0.0002","24.5908","0.0002","90","","90","","90","","10100.9","0.17","160","0.1","160","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H151.2 O29 -","- C98.1 H151.2 O29 -","- C392.4 H604.8 O116 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.1051","0.0981","","","0.2873","0.2987","","","","","","1.485","","","","has coordinates","267528","2021-07-14","07:43:21",""
"1564148","16.7309","0.0001","24.5805","0.0002","24.5797","0.0002","90","","90","","90","","10108.5","0.13","160","0.2","160","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H152.2 O28.5 -","- C98.1 H147.2 O28.5 -","- C392.4 H588.8 O114 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.101","0.0972","","","0.2745","0.2815","","","","","","1.043","","","","has coordinates","267529","2021-07-14","07:44:55",""
"1564197","8.1748","0.0006","8.6077","0.0004","20.3539","0.0016","91.552","0.005","91.094","0.006","104.842","0.005","1383.43","0.17","110","3","110","3","","","","","","","","3","P -1","-P 1","2","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","2","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","x-ray","0.71073","MoKα","","0.1074","0.0891","","","0.199","0.2084","","","","","","1.191","","","","has coordinates","267604","2021-07-17","00:49:41",""
"1564198","7.9695","0.0002","8.9845","0.0003","20.8803","0.0006","90","","90","","90","","1495.07","0.08","193","2","192.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Br N2 -","- C19 H11 Br N2 -","- C76 H44 Br4 N8 -","4","1","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","","0.71073","MoKα","","0.029","0.0285","","","0.0747","0.075","","","","","","1.067","","","","has coordinates","267605","2021-07-17","00:50:06",""
"1564199","7.9074","0.0003","8.8869","0.0003","20.9156","0.0009","90","","90","","90","","1469.79","0.1","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Cl N2 -","- C19 H11 Cl N2 -","- C76 H44 Cl4 N8 -","4","1","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","","0.71073","MoKα","","0.0383","0.0321","","","0.0723","0.0765","","","","","","1.05","","","","has coordinates","267606","2021-07-17","00:50:28",""
"1564200","7.191","0.0004","13.105","0.0008","14.5221","0.0017","90","","90","","90","","1368.5","0.2","112.55","0.1","112.55","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H11 F N2 -","- C19 H11 F N2 -","- C76 H44 F4 N8 -","4","0.5","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","x-ray","0.71073","MoKα","","0.0547","0.0419","","","0.0879","0.0958","","","","","","1.041","","","","has coordinates,has disorder","267608","2021-07-17","00:50:52",""
"1564201","14.981","0.002","13.932","0.002","25.176","0.003","90","","97.521","0.004","90","","5209.4","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45.25 H58.5 Cl2.5 N8 Ni2 O12 -","- C45.25 H58.5 Cl2.5 N8 Ni2 O12 -","- C181 H234 Cl10 N32 Ni8 O48 -","4","1","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.1601","0.0942","","","0.1956","0.2307","","","","","","1.028","","","","has coordinates,has disorder","267626","2021-07-18","01:36:20",""
"1564202","8.631","0.006","9.896","0.006","12.698","0.008","67.393","0.017","84.22","0.02","78.271","0.017","980","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N3 Ni O -","- C22 H28 N3 Ni O -","- C44 H56 N6 Ni2 O2 -","2","1","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.2105","0.1238","","","0.2828","0.3484","","","","","","0.968","","","","has coordinates","267626","2021-07-18","01:36:21",""
"1564203","12.209","0.002","7.5518","0.0013","17.864","0.003","90","","106.243","0.005","90","","1581.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 B2 N4 Ni2 O10 -","- C24 H44 B2 N4 Ni2 O10 -","- C48 H88 B4 N8 Ni4 O20 -","2","0.5","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.0669","0.0467","","","0.1018","0.1108","","","","","","1.033","","","","has coordinates","267626","2021-07-18","01:36:21",""
"1564204","10.2092","0.0005","11.9426","0.0006","11.9808","0.0005","90","","91.56","0.002","90","","1460.21","0.12","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 B N2 Ni O4 -","- C11 H16 B N2 Ni O4 -","- C44 H64 B4 N8 Ni4 O16 -","4","1","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.0596","0.0398","","","0.0858","0.0963","","","","","","1.04","","","","has coordinates","267626","2021-07-18","01:36:21",""
"1564205","11.4858","0.0003","19.4001","0.0006","12.4864","0.0004","90","","108.959","0.001","90","","2631.35","0.14","133","","133","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22.97 H28 Cl0.03 F2.9 N3 Ni O3.9 S0.97 -","- C22.9667 H28 Cl0.0333 F2.9001 N3 Ni O3.9001 S0.9667 -","- C91.8668 H112 Cl0.1332 F11.6004 N12 Ni4 O15.6004 S3.8668 -","4","1","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.07","0.0471","","","0.0982","0.1069","","","","","","1.039","","","","has coordinates,has disorder","267626","2021-07-18","01:36:22",""
"1564206","11.606","0.0007","16.8019","0.0011","12.3281","0.0008","90","","111.731","0.002","90","","2233.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N4 Ni O3 -","- C22 H28 N4 Ni O3 -","- C88 H112 N16 Ni4 O12 -","4","1","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N‒N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.0602","0.043","","","0.0969","0.1086","","","","","","1.114","","","","has coordinates","267626","2021-07-18","01:36:22",""
"1564207","13.866","0.003","14.341","0.003","23.383","0.004","90","","90","","90","","4649.8","1.6","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H28 N4 Ni O4 -","- C22 H28 N4 Ni O4 -","- C176 H224 N32 Ni8 O32 -","8","2","","Beagan, Daniel M.; Cabelof, Alyssa C.; Pink, Maren; Carta, Veronica; Gao, Xinfeng; Caulton, Kenneth G.","Nickel-mediated N–N bond formation and N2O liberation via nitrogen oxyanion reduction","Chemical Science","2021","","","","","10.1039/D1SC02846D","","","0.71073","MoKα","","0.0858","0.062","","","0.1114","0.1196","","","","","","1.051","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564218","7.8963","0.0001","16.026","0.0003","21.3509","0.0004","90","","90","","90","","2701.87","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 O7 -","- C33 H32 O7 -","- C132 H128 O28 -","4","1","","He, Qian; Fan, Yue; Liu, Yu; Rao, Li; You, Yun-Xia; Su, Yu; Zhou, Zhen; Xu, You-Kai; Zhang, Chuan-Rui","Cryptoyunnanones A‒H, Complex Flavanones from Cryptocarya yunnanensis","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00287","","x-ray","1.54184","CuKα","","0.0552","0.0508","","","0.1303","0.1335","","","","","","1.036","","","","has coordinates,has disorder","267649","2021-07-20","23:29:26",""
"1564219","11.7559","0.0002","14.8246","0.0003","15.3854","0.0003","90","","90","","90","","2681.31","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 O7 -","- C34 H32 O7 -","- C136 H128 O28 -","4","1","","He, Qian; Fan, Yue; Liu, Yu; Rao, Li; You, Yun-Xia; Su, Yu; Zhou, Zhen; Xu, You-Kai; Zhang, Chuan-Rui","Cryptoyunnanones A‒H, Complex Flavanones from Cryptocarya yunnanensis","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00287","","x-ray","1.54184","CuKα","","0.0573","0.0498","","","0.1233","0.129","","","","","","1.051","","","","has coordinates","267650","2021-07-20","23:29:48",""
"1564220","9.5823","0.0006","9.5823","0.0006","8.038","0.0011","90","","90","","90","","738.05","0.12","100","","100","","","","","","","","","3","I -4","I -4","82","","Barium bis[tetrafluoridobromate(III)]","","- Ba Br2 F8 -","- Ba Br2 F8 -","- Ba4 Br8 F32 -","4","0.5","WM4148","Ivlev, Sergei I.; Kraus, Florian","Barium bis[tetrafluoridobromate(III)]","IUCrData","2021","6","7","x210735","","10.1107/S2414314621007355","","x-ray","1.54186","CuKα","","0.0538","0.0492","","","0.1239","0.1268","","","","","","1.077","","","","has coordinates,has Fobs","267671","2021-07-21","05:40:01",""
"1564221","9.3911","0.0008","9.3911","0.0008","8.6576","0.0009","90","","90","","120","","661.24","0.11","123","2","123","2","","","","","","","","5","P -3 1 m","-P 3 2","162","","Hexaaquadodeca-μ~2~-chlorido-<i>octahedro</i>-hexaniobium diiodide","","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","1","0.0833333","BT4115","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-chlorido-octahedro-hexaniobium diiodide","IUCrData","2021","6","7","","","10.1107/S2414314621006969","","","0.71073","MoKα","","0.0131","0.013","","","0.0335","0.0335","","","","","","1.376","","","","has coordinates,has Fobs","267672","2021-07-21","05:40:18",""
"1564222","8.5569","0.0017","9.1775","0.0018","12.041","0.002","86.23","0.03","79.99","0.03","73.89","0.03","894.5","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl N4 O5 S -","- C15 H17 Cl N4 O5 S -","- C30 H34 Cl2 N8 O10 S2 -","2","1","","Wang, Hai-Lian; Li, Hao-Ran; Zhang, Yi-Chi; Yang, Wen-Tao; Yao, Zheng; Wu, Ren-Jun; Niu, Cong-Wei; Li, Yong-Hong; Wang, Jian-Guo","Discovery of <i>ortho-</i>Alkoxy Substituted Novel Sulfonylurea Compounds That Display Strong Herbicidal Activity against Monocotyledon Grasses.","Journal of agricultural and food chemistry","2021","","","","","10.1021/acs.jafc.1c02081","","","0.71073","MoKα","","0.0583","0.0426","","","0.107","0.1142","","","","","","1.07","","","","has coordinates","267680","2021-07-21","23:05:35",""
"1564223","18.2115","0.0013","10.9601","0.0005","33.38","0.002","90","","90","","90","","6662.6","0.7","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.1017","0.0541","","","0.1122","0.1327","","","","","","1.019","","","","has coordinates,has disorder","267707","2021-07-23","01:43:16",""
"1564224","18.2035","0.001","10.9561","0.0006","33.712","0.0017","90","","90","","90","","6723.5","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4146","synchrotron","","0.0429","0.0353","","","0.1048","0.1087","","","","","","1.034","","","","has coordinates,has disorder","267707","2021-07-23","01:43:28",""
"1564225","18.2294","0.0008","10.974","0.0005","33.6809","0.0015","90","","90","","90","","6737.8","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4146","synchrotron","","0.0481","0.0376","","","0.1087","0.1134","","","","","","0.99","","","","has coordinates,has disorder","267707","2021-07-23","01:43:32",""
"1564226","18.2216","0.0005","10.9631","0.0008","33.6434","0.0014","90","","90","","90","","6720.8","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","{(3,3,4,4,5,5-hexafluorocyclopent-1-ene-1,2-diyl)bis[(5-methylthiene-4,2-diyl)-3,1-phenylene]}bis(trimethylsilane)","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.81078","Synchrotron","","0.0809","0.0709","","","0.1957","0.2224","","","","","","1.16","","","","has coordinates,has disorder","267707","2021-07-23","01:43:34",""
"1564227","6.7829","0.0002","24.0037","0.0009","20.7451","0.0008","90","","96.5736","0.0013","90","","3355.4","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7,7,8,8,9,9-Hexafluoro-3a,3b-dimethyl-2,5-bis(3-trimethylsilylphenyl)-3b,7,8,9-tetrahydro-3aH-3,4-dithia -triindene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C132 H136 F24 S8 Si8 -","4","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.0549","0.0388","","","0.0948","0.1049","","","","","","1.073","","","","has coordinates,has disorder","267707","2021-07-23","01:43:38",""
"1564228","18.2491","0.0007","10.9875","0.0004","33.644","0.0012","90","","90","","90","","6746","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4146","synchrotron","","0.0535","0.0404","","","0.1162","0.1215","","","","","","0.983","","","","has coordinates,has disorder","267707","2021-07-23","01:43:48",""
"1564229","18.1941","0.0003","10.9554","0.0002","33.6907","0.0006","90","","90","","90","","6715.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.4298","synchrotron","","0.0385","0.0359","","","0.1046","0.1077","","","","","","1.028","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564230","18.2662","0.0015","10.9946","0.0006","33.201","0.003","90","","90","","90","","6667.7","0.9","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.1276","0.0615","","","0.1195","0.1462","","","","","","1.016","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564231","18.127","0.0013","10.9066","0.0006","33.637","0.002","90","","90","","90","","6650.2","0.7","93","2","93","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.71073","","","0.0839","0.0465","","","0.0929","0.107","","","","","","1.018","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564232","18.2337","0.0005","10.9971","0.0009","33.6597","0.0016","90","","90","","90","","6749.4","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene","{(3,3,4,4,5,5-hexafluorocyclopent-1-ene-1,2-diyl)bis[(5-methylthiene-4,2-diyl)-3,1-phenylene]}bis(trimethylsilane)","","- C33 H34 F6 S2 Si2 -","- C33 H34 F6 S2 Si2 -","- C264 H272 F48 S16 Si16 -","8","1","","Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Molecular crystalline capsules that release their contents by light","Chemical Science","2021","","","","","10.1039/D1SC03394H","","","0.81078","Synchrotron","","0.1208","0.0958","","","0.2897","0.36","","","","","","1.272","","","","has coordinates,has disorder","267707","2021-07-23","01:43:51",""
"1564233","30.1406","0.0004","32.9119","0.0005","33.4887","0.0007","90","","90","","90","","33220.3","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C112 H172 Ag3 Au6 N9 O38 P6 S6 -","- C112 H138 Ag3 Au6 N7.5 O16.5 P6 S6 -","- C896 H1104 Ag24 Au48 N60 O132 P48 S48 -","8","2","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.6","synchrotron","","0.0773","0.0421","","","0.0883","0.0977","","","","","","0.929","","","","has coordinates","267708","2021-07-23","01:54:07",""
"1564234","19.2375","0.0004","19.2375","0.0004","27.0608","0.0006","90","","90","","120","","8673","0.3","100","2","100","2","","","","","","","","10","P 3 2 1","P 3 2""","150","","","","- C118 H154 Ag3 Au6 Cu3 F9 N6 O29 P6 S6 -","- C118 H131.999 Ag3 Au6 Cu3 F9.0003 N6 O21 P6 S6 -","- C236 H263.999 Ag6 Au12 Cu6 F18.0006 N12 O42 P12 S12 -","2","0.333333","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","x-ray","0.71073","MoKα","","0.0268","0.024","","","0.0636","0.0644","","","","","","1.048","","","","has coordinates","267708","2021-07-23","01:54:08",""
"1564235","19.2549","0.0007","19.2549","0.0007","74.3872","0.0014","90","","90","","120","","23884.2","1.3","100","2","100","2","","","","","","","","10","R 3 c :H","R 3 -2""c","161","","","","- C118 H168 Ag3 Au6 Cu3 F9 N6 O36 P6 S6 -","- C114 H131.999 Ag3 Au6 Cu3 F2.9997 N6 O16.9998 P6 S6 -","- C683.999 H791.996 Ag18 Au36 Cu18 F17.9982 N36 O101.999 P36 S36 -","6","0.333333","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.4281","synchrotron","","0.0283","0.0267","","","0.0685","0.0695","","","","","","1.032","","","","has coordinates,has disorder","267708","2021-07-23","01:54:08",""
"1564236","33.804","0.005","33.804","0.005","81.734","0.016","90","","90","","120","","80885","2","103","2","103","2","","","","","","","","10","R -3 c :H","-R 3 2""c","167","","","","- C118 H163 Ag3 Au6 Cu3 F9 N6 O33.5 P6 S6 -","- C112 H132 Ag3 Au6 Cu3 N6 O15 P6 S6 -","- C2016 H2376 Ag54 Au108 Cu54 N108 O270 P108 S108 -","18","0.5","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.62997","synchrotron","","0.097","0.0566","","","0.1809","0.195","","","","","","1.036","","","","has coordinates","267708","2021-07-23","01:54:08",""
"1564237","129.492","0.004","129.492","0.004","129.492","0.004","90","","90","","90","","2171340","12","100","2","100","2","","","","","","","","10","F 41 3 2","F 4d 2 3","210","","","","- C118 H172 Ag3 Au6 Cu3 F9 N6 O38 P6 S6 -","- C112 H132 Ag3 Au6 Cu3 N6 O15 P6 S6 -","- C30464 H35904 Ag816 Au1632 Cu816 N1632 O4080 P1632 S1632 -","272","2.83333","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.4281","synchrotron","","0.1906","0.1383","","","0.3883","0.4196","","","","","","1.516","","","","has coordinates","267708","2021-07-23","01:54:08",""
"1564238","5.9597","0.0002","18.2988","0.0006","16.5207","0.0005","90","","96.303","0.002","90","","1790.78","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Chen, Ya; Wang, Junjie; Lu, Yixin","Decarboxylative 1,4-Carbocyanation of 1,3-Enynes to Access Tetra-substituted Allenes via Copper/Photoredox Dual Catalysis","Chemical Science","2021","","","","","10.1039/D1SC02896K","","","1.54178","CuKα","","0.0458","0.0427","","","0.1088","0.1112","","","","","","1.048","","","","has coordinates","267709","2021-07-23","01:56:08",""
"1564239","9.4508","0.0003","10.5895","0.0003","24.6688","0.0006","90","","90","","90","","2468.83","0.12","289.62","0.18","289.62","0.18","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O3 -","- C31 H28 O3 -","- C124 H112 O12 -","4","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.0668","0.0632","","","0.1676","0.1746","","","","","","1.033","","","","has coordinates","267710","2021-07-23","01:57:28",""
"1564240","17.1259","0.0004","16.6316","0.0003","9.8931","0.0002","90","","90","","90","","2817.86","0.1","296.2","0.4","296.2","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N O6 -","- C33 H31 N O6 -","- C132 H124 N4 O24 -","4","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.1356","0.1316","","","0.3236","0.3259","","","","","","1.061","","","","has coordinates","267710","2021-07-23","01:57:39",""
"1564241","19.5054","0.0004","19.5054","0.0004","10.8702","0.0002","90","","90","","120","","3581.61","0.12","296.8","0.5","296.8","0.5","","","","","","","","5","P 62","P 62","171","","","","- C26 H27 Br N2 O3 -","- C26 H27 Br N2 O3 -","- C156 H162 Br6 N12 O18 -","6","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.0482","0.0458","","","0.123","0.1269","","","","","","1.056","","","","has coordinates","267710","2021-07-23","01:57:48",""
"1564242","9.66433","0.00013","12.43414","0.00015","28.761","0.0004","90","","90","","90","","3456.14","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N2 O6 -","- C42 H38 N2 O6 -","- C168 H152 N8 O24 -","4","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.0501","0.048","","","0.1242","0.1274","","","","","","1.037","","","","has coordinates","267710","2021-07-23","01:57:51",""
"1564243","12.0479","0.0005","18.5786","0.0009","24.7785","0.0012","90","","90","","90","","5546.2","0.4","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N'-(3-Formyl-1,2-diphenyl-1H-indole-4,5-diyl)dibenzamide","","- C35 H25 N3 O3 -","- C35 H25 N3 O3 -","- C280 H200 N24 O24 -","8","1","","Devkota, Shreedhar; Kim, Suyeon; Yoo, Seok Yeol; Mohandoss, Sonaimuthu; Baik, Mu-Hyun; Lee, Yong Rok","Ruthenium(II)-catalyzed regioselective direct C4‒ and C5‒diamidation of indoles and mechanistic studies","Chemical Science","2021","","","","","10.1039/D1SC02138A","","","0.71073","MoKα","","0.0597","0.0497","","","0.125","0.1322","","","","","","1.04","","","","has coordinates","267711","2021-07-23","01:58:46",""
"1564244","24.1244","0.0011","11.3542","0.0005","14.564","0.0006","90","","103.392","0.001","90","","3880.8","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H16 O -","- C23.5 H16 O -","- C188 H128 O8 -","8","1","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone‒Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.1053","0.0754","","","0.2263","0.2537","","","","","","1.045","","","","has coordinates","267723","2021-07-23","23:43:35",""
"1564245","18.9421","0.001","44.537","0.003","7.8882","0.0005","90","","90","","90","","6654.7","0.7","193","2","193","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C51 H32 O2 -","- C51 H32 O2 -","- C408 H256 O16 -","8","0.5","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone–Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.0758","0.056","","","0.1431","0.1588","","","","","","1.09","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564246","14.8917","0.0011","16.2765","0.0014","11.8457","0.0016","90","","125.856","0.002","90","","2327.1","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 O2 -","- C31 H24 O2 -","- C124 H96 O8 -","4","0.5","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone‒Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.0572","0.0459","","","0.116","0.1264","","","","","","1.041","","","","has coordinates","267725","2021-07-23","23:44:23",""
"1564247","9.667","0.002","15.857","0.005","42.991","0.008","90","","90","","90","","6590","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C47 H32 O2 -","- C47 H32 O2 -","- C376 H256 O16 -","8","1","","Xiao, Fuming; Liu, Xiaoqing; Lin, Kangkang; Zhou, Yunbing; Gao, Wenxia; Lei, Yunxiang; Liu, Miaochang; Huang, Xiaobo; Wu, Huayue","Pyranone‒Arylbenzene Molecules Controlled by the Competition of Local Excited State and Twisted Intramolecular Charge-Transfer State: Dual-State Emission, Polymorphism, and Mechanofluorochromism","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04340","","","0.71073","MoKα","","0.1715","0.0604","","","0.1323","0.1909","","","","","","1.018","","","","has coordinates","267726","2021-07-23","23:44:48",""
"1564248","10.7265","0.0002","15.4183","0.0003","16.9237","0.0003","90","","90","","90","","2798.92","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O6 -","- C31 H46 O6 -","- C124 H184 O24 -","4","1","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0316","0.0315","","","0.0791","0.0792","","","","","","1.107","","","","has coordinates","267761","2021-07-27","01:32:52",""
"1564249","11.434","0.0003","11.8435","0.0004","20.1913","0.0006","90","","95.01","0.001","90","","2723.83","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","2","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0566","0.0563","","","0.1465","0.147","","","","","","1.034","","","","has coordinates","267761","2021-07-27","01:32:53",""
"1564250","10.1381","0.0001","12.1522","0.0001","10.7853","0.0001","90","","104.64","","90","","1285.61","0.02","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H42 O7 -","- C27 H42 O7 -","- C54 H84 O14 -","2","1","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0258","0.0257","","","0.0658","0.0658","","","","","","1.054","","","","has coordinates","267761","2021-07-27","01:32:53",""
"1564251","6.9847","0.0001","43.8208","0.0007","8.6936","0.0001","90","","90.047","0.001","90","","2660.89","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H44 O4 -","- C28 H44 O4 -","- C112 H176 O16 -","4","2","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0732","0.0688","","","0.1955","0.1978","","","","","","1.059","","","","has coordinates","267761","2021-07-27","01:32:54",""
"1564252","18.6149","0.001","5.4882","0.0003","4.6735","0.0003","90","","90","","90","","477.46","0.05","","","298","","","","100","","","","","6","P m a 2","P 2 -2a","28","Ca1.99(Fe0.66Al0.34)(Al1.02Si2.98)O10(OH)2","","ferriprehnite","- Al1.36 Ca1.99 Fe0.66 H2 O12 Si2.98 -","- Al1.363 Ca2 Fe0.637 H2 O12 Si3 -","- Al2.726 Ca4 Fe1.274 H4 O24 Si6 -","2","0.5","","Nagashima, M.; Nishio-Hamane, D.; Ito, S.; Tanaka, T.","Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from Kouragahana, Shimane Prefecture, Japan : ferriprehnite","Journal of Mineralogical and Petrological Sciences","2021","116","","129","139","10.2465/jmps.210127","","","","","","","","","","","","","","","","","","","","","has coordinates","267767","2021-07-27","22:14:34",""
"1564253","18.4626","0.0004","5.4793","0.0001","4.6201","0.0001","90","","90","","90","","467.379","0.017","","","298","","","","100","","","","","6","P m a 2","P 2 -2a","28","Ca1.98Mn0.01Al1.00(Al1.01Si2.99)O10(OH)2","","ferriprehnite","- Al2.01 Ca1.98 H2 Mn0.01 O12 Si2.99 -","- Al2 Ca2 H2 O12 Si3 -","- Al4 Ca4 H4 O24 Si6 -","2","0.5","","Nagashima, M.; Nishio-Hamane, D.; Ito, S.; Tanaka, T.","Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from Kouragahana, Shimane Prefecture, Japan : prehnite from N'Chwaning mine","Journal of Mineralogical and Petrological Sciences","2021","116","","129","139","10.2465/jmps.210127","","","","","","","","","","","","","","","","","","","","","has coordinates","267768","2021-07-27","22:16:25",""
"1564254","18.503","0.0006","5.4814","0.0001","4.6346","0.0001","90","","90","","90","","470.05","0.02","","","298","","","","100","","","","","7","P m a 2","P 2 -2a","28","Ca1.99(Al0.81Fe0.17V0.01)(Al1.00Si3.00)O10(OH)2","","ferriprehnite","- Al1.81 Ca1.99 Fe0.17 H2 O12 Si3 V0.01 -","- Al1.845 Ca2 Fe0.155 H2 O12 Si3 -","- Al3.69 Ca4 Fe0.31 H4 O24 Si6 -","2","0.5","","Nagashima, M.; Nishio-Hamane, D.; Ito, S.; Tanaka, T.","Ferriprehnite, Ca2Fe3+(AlSi3)O10(OH)2, an Fe3+ analogue of prehnite, from Kouragahana, Shimane Prefecture, Japan : prehnite from Sekigawa with some iron3+","Journal of Mineralogical and Petrological Sciences","2021","116","","129","139","10.2465/jmps.210127","","","","","","","","","","","","","","","","","","","","","has coordinates","267769","2021-07-27","22:17:27",""
"1564255","21.1145","0.0004","12.0659","0.0003","17.7473","0.0003","90","","98.805","0.002","90","","4468.11","0.16","159.99","0.1","159.99","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H54 O13 -","- C48 H54 O13 -","- C192 H216 O52 -","4","1","","Wang, Haiying; Yang, Weiwei; Baldridge, Kim K.; Zhan, Cai-Hong; Thikekar, Tushar Ulhas; Sue, Andrew C.-H.","Spontaneous and induced chiral symmetry breaking of stereolabile pillar[5]arene derivatives upon crystallisation","Chemical Science","2021","","","","","10.1039/D1SC02560K","","","1.54184","CuKα","","0.071","0.0509","","","0.1228","0.1375","","","","","","1.036","","","","has coordinates,has disorder","267771","2021-07-28","01:29:43",""
"1564256","21.2498","0.0002","11.9934","0.0001","17.8835","0.0001","90","","98.726","0.001","90","","4504.99","0.06","200","0.1","200","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C48 H56 O13 -","- C48 H56 O13 -","- C192 H224 O52 -","4","1","","Wang, Haiying; Yang, Weiwei; Baldridge, Kim K.; Zhan, Cai-Hong; Thikekar, Tushar Ulhas; Sue, Andrew C.-H.","Spontaneous and induced chiral symmetry breaking of stereolabile pillar[5]arene derivatives upon crystallisation","Chemical Science","2021","","","","","10.1039/D1SC02560K","","x-ray","1.54184","CuKα","","0.0416","0.0401","","","0.1126","0.1146","","","","","","1.031","","","","has coordinates","267771","2021-07-28","01:29:53",""
"1564257","17.6957","0.0014","14.8918","0.0012","23.1457","0.0019","90","","92.687","0.002","90","","6092.7","0.9","277","2","277.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H33 N6 O7 Ru -","- C30.5 H33 N6 O7 Ru -","- C244 H264 N48 O56 Ru8 -","8","2","","Liu, Tianqi; Li, Ge; Shen, Nannan; Ahlquist, Mårten S. G.; Sun, Licheng","Hydrophobic Interactions of Ru-bda-Type Catalysts for Promoting Water Oxidation Activity","Energy & Fuels","2021","","","","","10.1021/acs.energyfuels.1c02097","","","0.71073","MoKα","","0.1212","0.0698","","","0.1289","0.1776","","","","","","1.2543","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564258","12.5786","0.0003","16.302","0.0004","16.8804","0.0003","98.375","0.002","90.741","0.002","103.958","0.002","3319.24","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","10-(dimesitylboryl)-N,N-di-p-tolylbenzo[c]phenanthren-4-amine (3-B(Mes)2-[4]helix-9-N(p-Tol)2) monoanion","","- C74 H94 B K N O9 -","- C74.004 H94.008 B K N O9.001 -","- C148.008 H188.016 B2 K2 N2 O18.002 -","2","1","","Jia, Xiangqing; Nitsch, Jörn; Wu, Zhu; Friedrich, Alexandra; Krebs, Johannes; Krummenacher, Ivo; Fantuzzi, Felipe; Braunschweig, Holger; Moos, Michael; Lambert, Christoph; Engels, Bernd; Marder, Todd B.","One- and Two-Electron Reduction of Triarylborane-Based Helical Donor-Acceptor Compounds","Chemical Science","2021","","","","","10.1039/D1SC02409D","","x-ray","1.54184","CuKα","","0.068","0.0601","","","0.1716","0.1818","","","","","","1.056","","","","has coordinates,has disorder","267793","2021-07-29","01:50:06",""
"1564259","8.842","0.003","13.762","0.006","24.038","0.012","73.438","0.009","86.26","0.012","86.518","0.008","2795","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","13-(dimesitylboryl)-N,N-di-p-tolyldibenzo[c,g]phenanthren-8-amine (3-B(Mes)2-[5]helix-12-N(p-Tol)2) monoanion","","- C66 H72 B K N O6 -","- C66 H72 B K N O6 -","- C132 H144 B2 K2 N2 O12 -","2","1","","Jia, Xiangqing; Nitsch, Jörn; Wu, Zhu; Friedrich, Alexandra; Krebs, Johannes; Krummenacher, Ivo; Fantuzzi, Felipe; Braunschweig, Holger; Moos, Michael; Lambert, Christoph; Engels, Bernd; Marder, Todd B.","One- and Two-Electron Reduction of Triarylborane-Based Helical Donor-Acceptor Compounds","Chemical Science","2021","","","","","10.1039/D1SC02409D","","","0.71073","MoKα","","0.1467","0.058","","","0.1019","0.1311","","","","","","0.996","","","","has coordinates","267793","2021-07-29","01:50:09",""
"1564260","13.5466","0.0005","15.538","0.0006","18.5839","0.0006","87.406","0.003","72.123","0.003","67.804","0.003","3435.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1:1 13-(dimesitylboryl)-N,N-di-p-tolyldibenzo[c,g]phenanthren-8-amine (3-B(Mes)2-[5]helix-12-N(p-Tol)2) mono- and dianion","","- C76 H92 B K1.5 N O10 -","- C76 H92 B K1.5 N O10 -","- C152 H184 B2 K3 N2 O20 -","2","1","","Jia, Xiangqing; Nitsch, Jörn; Wu, Zhu; Friedrich, Alexandra; Krebs, Johannes; Krummenacher, Ivo; Fantuzzi, Felipe; Braunschweig, Holger; Moos, Michael; Lambert, Christoph; Engels, Bernd; Marder, Todd B.","One- and Two-Electron Reduction of Triarylborane-Based Helical Donor-Acceptor Compounds","Chemical Science","2021","","","","","10.1039/D1SC02409D","","x-ray","1.54184","CuKα","","0.1319","0.0917","","","0.2569","0.2932","","","","","","1.057","","","","has coordinates,has disorder","267793","2021-07-29","01:50:12",""
"1564261","20.228","0.0004","7.9448","0.0002","10.7105","0.0002","90","","94.888","0.002","90","","1715","0.06","99.93","0.17","99.93","0.17","","","","","","","","4","C 1 2 1","C 2y","5","","Phenyl (S)-2-((4-methoxyphenyl)amino)-2-phenylacetate","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Guo, Wengang; Wang, Min; Han, Zhengyu; Huang, Hai; Sun, Jianwei","Organocatalytic asymmetric synthesis of α-amino esters from sulfoxonium ylides","Chemical Science","2021","","","","","10.1039/D1SC02439F","","x-ray","1.54184","CuKα","","0.0295","0.0283","","","0.0686","0.0695","","","","","","1.04","","","","has coordinates","267794","2021-07-29","01:50:48",""
"1564262","5.95245","0.00014","9.286","0.0002","16.6609","0.0004","90","","96.22","0.002","90","","915.5","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Br Cl4 N O2 -","- C17 H12 Br Cl4 N O2 -","- C34 H24 Br2 Cl8 N2 O4 -","2","1","","Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.","Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates","Chemical Science","2021","","","","","10.1039/D1SC02474D","","x-ray","0.71073","MoKα","","0.0288","0.0244","","","0.05","0.051","","","","","","0.9915","","","","has coordinates","267795","2021-07-29","01:52:04",""
"1564263","20.07057","0.00012","20.40295","0.00011","41.1384","0.0002","90","","90","","90","","16846.1","0.16","99.8","0.8","99.8","0.8","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C168 H134 Cl5 N7 O16 Rh2 -","- C168 H134 Cl5 N7 O16 Rh2 -","- C672 H536 Cl20 N28 O64 Rh8 -","4","1","","Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.","Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates","Chemical Science","2021","","","","","10.1039/D1SC02474D","","x-ray","1.54184","CuKα","","0.0503","0.0483","","","0.1244","0.127","","","","","","1.028","","","","has coordinates,has disorder","267795","2021-07-29","01:52:07",""
"1564264","8.77283","0.00016","12.4768","0.0002","15.4124","0.0003","90","","90","","90","","1686.99","0.05","102","3","102","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N O3 -","- C18 H18 Cl N O3 -","- C72 H72 Cl4 N4 O12 -","4","1","","Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.","Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates","Chemical Science","2021","","","","","10.1039/D1SC02474D","","x-ray","0.71073","MoKα","","0.0281","0.0251","","","0.0632","0.0642","","","","","","1.0429","","","","has coordinates","267795","2021-07-29","01:52:16",""
"1564265","11.715","0.005","15.058","0.005","18.88","0.005","109.118","0.005","91.669","0.005","98.481","0.005","3101.7","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Eu2 N4 O17 -","- C60 H42 Eu2 N4 O17 -","- C120 H84 Eu4 N8 O34 -","2","1","","Zhou, Ting; Liu, Shuang; Wang, Song; Mi, Shengyong; Gao, Pan; Guo, Xianmin; Su, Qijin; Guo, Huadong","Dual-Function Lanthanide‒Organic Frameworks Based on a Zwitterionic Ligand as a Ratiometric Thermometer and a Selective Sensor for Nitroaromatic Explosives","Industrial & Engineering Chemistry Research","2021","","","","","10.1021/acs.iecr.1c01963","","","0.71069","MoKα","","0.1099","0.0545","","","0.1394","0.1542","","","","","","0.949","","","","has coordinates","267828","2021-07-30","22:56:43",""
"1564266","14.4801","0.0007","18.5079","0.0009","20.3673","0.0011","90","","91.94","0.002","90","","5455.2","0.5","100","2","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C69 H56 Cl Cu N2 O2 -","- C69 H56 Cl Cu N2 O2 -","- C276 H224 Cl4 Cu4 N8 O8 -","4","2","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0619","0.0436","","","0.0957","0.1039","","","","","","1.02","","","","has coordinates,has disorder","267840","2021-07-31","01:49:48",""
"1564267","16.4302","0.0008","18.0856","0.0008","21.8382","0.001","90","","99.399","0.002","90","","6402.1","0.5","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C82 H77 Cu N2 -","- C82 H77 Cu N2 -","- C328 H308 Cu4 N8 -","4","2","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0771","0.0556","","","0.1308","0.1417","","","","","","1.058","","","","has coordinates,has disorder","267840","2021-07-31","01:49:49",""
"1564268","26.815","0.004","27.671","0.003","29.647","0.004","90","","90","","90","","21998","5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C138 H114 Cu2 N4 O4 -","- C138 H114 Cu2 N4 O4 -","- C1104 H912 Cu16 N32 O32 -","8","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0649","0.0462","","","0.1082","0.1192","","","","","","1.027","","","","has coordinates,has disorder","267840","2021-07-31","01:49:49",""
"1564269","12.925","0.0011","18.7591","0.0016","24.014","0.0019","90","","91.726","0.004","90","","5819.8","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H62 Cl3 Cu N2 -","- C72 H62 Cl3 Cu N2 -","- C288 H248 Cl12 Cu4 N8 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0958","0.0781","","","0.218","0.2297","","","","","","1.097","","","","has coordinates","267840","2021-07-31","01:49:54",""
"1564270","11.7794","0.0006","24.2731","0.0012","20.7191","0.0011","90","","96.956","0.002","90","","5880.5","0.5","100","","100","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C73 H63 Cu N2 O -","- C73 H63 Cu N2 O -","- C292 H252 Cu4 N8 O4 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0552","0.0505","","","0.1376","0.1417","","","","","","1.054","","","","has coordinates,has disorder","267840","2021-07-31","01:49:54",""
"1564271","23.946","0.005","12.861","0.003","24.517","0.005","90","","113.26","0.03","90","","6937","3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C91 H83 Cu N2 O2 -","- C91 H83 Cu N2 O2 -","- C364 H332 Cu4 N8 O8 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0798","0.0613","","","0.1537","0.1696","","","","","","1.049","","","","has coordinates","267840","2021-07-31","01:49:54",""
"1564272","16.2428","0.0015","11.069","0.001","37.635","0.004","90","","90.687","0.003","90","","6766","1.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76.5 H71 Cl4 Cu N2 -","- C76.49 H71 Cl4 Cu N2 -","- C305.96 H284 Cl16 Cu4 N8 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.063","0.0613","","","0.1589","0.1599","","","","","","1.195","","","","has coordinates,has disorder","267840","2021-07-31","01:49:54",""
"1564273","27.7289","0.0015","14.9712","0.0008","17.0546","0.0009","90","","104.211","0.002","90","","6863.3","0.6","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H68 Cu N3 -","- C82 H68 Cu N3 -","- C328 H272 Cu4 N12 -","4","1","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.1206","0.1143","","","0.2654","0.2684","","","","","","1.175","","","","has coordinates","267840","2021-07-31","01:49:55",""
"1564274","27.2994","0.0017","30.05","0.002","33.605","0.002","90","","111.097","0.002","90","","25720","3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C142 H122 Cu2 N4 -","- C142 H122 Cu2 N4 -","- C1136 H976 Cu16 N32 -","8","2","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.0943","0.067","","","0.1695","0.1843","","","","","","1.039","","","","has coordinates,has disorder","267840","2021-07-31","01:49:55",""
"1564275","20.3769","0.0014","18.6418","0.0011","27.6279","0.0019","90","","93.857","0.003","90","","10471","1.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H51 Cl2 Cu N2 -","- C67 H51 Cl2 Cu N2 -","- C536 H408 Cl16 Cu8 N16 -","8","2","","Speelman, Amy L.; Tran, Ba; Erickson, Jeremy D.; Vasiliu, Monica; Dixon, David A.; Bullock, R. Morris","Accelerating the Insertion Reactions of (NHC)Cu-H via Remote Ligand Functionalization","Chemical Science","2021","","","","","10.1039/D1SC01911B","","","0.71073","MoKα","","0.1134","0.096","","","0.2558","0.2713","","","","","","1.103","","","","has coordinates,has disorder","267840","2021-07-31","01:49:55",""
"1564276","10.946","0.007","11.711","0.006","14.387","0.008","70.47","0.03","79.17","0.04","66.85","0.03","1594.8","1.6","293","2","292.73","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl F2 N O -","- C18 H14 Cl F2 N O -","- C72 H56 Cl4 F8 N4 O4 -","4","2","","Zhang, Mengru; Li, Hexin; Zhao, Jinbo; Li, Yan; Zhang, Qian","Copper-catalyzed [3+1] cyclization of cyclopropenes/diazo compounds and bromodifluoroacetamides: facile synthesis of α,α-difluoro-β-lactam derivatives","Chemical Science","2021","","","","","10.1039/D1SC02930D","","","1.54178","CuKα","","0.1495","0.0826","","","0.1813","0.2199","","","","","","1.021","","","","has coordinates","267841","2021-07-31","01:51:46",""
"1564277","10.8233","0.0002","11.9161","0.0003","12.3076","0.0003","90","","90","","90","","1587.33","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0347","0.0298","","","0.0669","0.0691","","","","","","1.023","","","","has coordinates","267842","2021-07-31","01:52:41",""
"1564278","5.7583","0.0003","13.5711","0.0006","9.6541","0.0005","90","","95.964","0.003","90","","750.35","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C32 H44 N4 O6 -","2","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0519","0.0411","","","0.0824","0.0867","","","","","","1.025","","","","has coordinates","267842","2021-07-31","01:52:41",""
"1564279","5.7444","0.0002","12.0901","0.0005","12.1546","0.0006","90","","95.471","0.003","90","","840.3","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0544","0.0417","","","0.0841","0.0903","","","","","","1.021","","","","has coordinates","267842","2021-07-31","01:52:42",""
"1564280","5.9468","0.0001","13.2423","0.0003","10.075","0.0003","90","","97.9895","0.0015","90","","785.7","0.03","100","","99.97","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C32 H52 N4 O6 -","2","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0339","0.0318","","","0.0801","0.0812","","","","","","1.051","","","","has coordinates","267842","2021-07-31","01:52:42",""
"1564281","7.4828","0.0005","7.7696","0.0006","16.9566","0.0012","95.198","0.004","91.243","0.004","108.491","0.004","929.76","0.12","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 Br N3 O -","- C23 H18 Br N3 O -","- C46 H36 Br2 N6 O2 -","2","1","","Zhai, Yizhan; Zhang, Xue; Ma, Shengming","Stereoselective rhodium-catalyzed 2-C‒H 1,3-dienylation of indoles: dual functions of the directing group","Chemical Science","2021","","","","","10.1039/D1SC02167B","","","1.34139","GaKα","","0.0914","0.0808","","","0.2228","0.2407","","","","","","1.03","","","","has coordinates","267843","2021-07-31","01:53:20",""
"1564302","6.875","0.0004","19.7127","0.0012","14.1318","0.0008","90","","90.346","0.002","90","","1915.17","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N5 Ni S4 -","- C14 H14 N5 Ni S4 -","- C56 H56 N20 Ni4 S16 -","4","1","","Qian, Yin; Yao, Wan-Wan; Shao, Dong-Sheng; Zhang, Jin; Ren, Xiao-Ming","Two Ongoing Magnetic Transitions Originating from Spin-Peierls Dimerization and Cation Orientation Transformation in an S = 1/2 Spin Chain System","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04863","","","0.71073","MoKα","","0.1099","0.067","","","0.1332","0.1467","","","","","","1.03","","","","has coordinates","267873","2021-07-31","23:52:03",""
"1564303","15.054","0.003","7.0712","0.0012","18.941","0.004","90","","90","","90","","2016.3","0.7","353.15","","353.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H N5 Ni S4 -","- C14 N5 Ni S4 -","- C56 N20 Ni4 S16 -","4","0.5","","Qian, Yin; Yao, Wan-Wan; Shao, Dong-Sheng; Zhang, Jin; Ren, Xiao-Ming","Two Ongoing Magnetic Transitions Originating from Spin-Peierls Dimerization and Cation Orientation Transformation in an S = 1/2 Spin Chain System","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04863","","","0.71073","MoKα","","0.3065","0.1049","","","0.2042","0.2965","","","","","","1.047","","","","has coordinates","267874","2021-07-31","23:53:26",""
"1564304","14.3949","0.0008","6.9372","0.0003","19.6112","0.0011","90","","90","","90","","1958.38","0.18","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H14 N5 Ni S4 -","- C14 H14 N5 Ni S4 -","- C56 H56 N20 Ni4 S16 -","4","0.5","","Qian, Yin; Yao, Wan-Wan; Shao, Dong-Sheng; Zhang, Jin; Ren, Xiao-Ming","Two Ongoing Magnetic Transitions Originating from Spin-Peierls Dimerization and Cation Orientation Transformation in an S = 1/2 Spin Chain System","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04863","","","0.71073","MoKα","","0.1205","0.0544","","","0.1128","0.131","","","","","","1.173","","","","has coordinates","267875","2021-07-31","23:54:07",""
"1564305","8.8991","","9.1263","","13.7411","","102.509","","94.403","","112.207","","993.032","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C4 H6 O3 -","- C4 H6 O3 -","- C32 H48 O24 -","8","4","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267957","2021-08-05","13:20:43",""
"1564306","9.732","","6.8118","","26.969","","90","","97.3425","","90","","1773.18","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 O3 -","- C8 H14 O3 -","- C64 H112 O24 -","8","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267877","2021-08-01","02:56:11",""
"1564307","9.5742","","7.399","","10.2346","","90","","107.188","","90","","692.633","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","1","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267878","2021-08-01","03:11:37",""
"1564308","4.8902","","28.1219","","5.1787","","90","","98.915","","90","","703.58","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H10 O3 -","- C6 H10 O3 -","- C24 H40 O12 -","4","2","","Ignatchenko, Alexey; Springer, Morgan; Walker, Jordan; Brennessel, William","Alkyl Substituted Beta-Keto Acids: Molecular Structure and Decarboxylation Kinetics in Aqueous Solution and on the Surface of Metal Oxides","Journal of Physical Chemistry","2021","125","","3368","3384","10.1021/acs.jpcc.0c10797","","","","","","","","","","","","","","","","","","","","","has coordinates","267879","2021-08-01","03:15:25",""
"1564309","11.0865","0.0011","24.739","0.002","18.0106","0.0017","90","","100.813","0.002","90","","4852","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl2 N2 Pd -","- C58 H62 Cl2 N2 Pd -","- C232 H248 Cl8 N8 Pd4 -","4","1","","Hai, Zijuan; Lu, Zhou; Li, Shuaikang; Cao, Zhong-Yan; Dai, Shengyu","The synergistic effect of rigid and flexible substituents on insertion polymerization with α-diimine nickel and palladium catalysts","Polymer Chemistry","2021","12","32","4643","4653","10.1039/D1PY00812A","","","0.71073","MoKα","","0.1101","0.0749","","","0.2027","0.2311","","","","","","1.109","","","","has coordinates,has disorder","268964","2021-09-06","12:40:35",""
"1564310","9.5481","0.0005","15.1927","0.0007","15.9838","0.0008","62.136","0.005","84.247","0.004","84.451","0.004","2036.2","0.2","113","2","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H27 Cl2 N3 O Pd -","- C18.5 H27 Cl2 N3 O Pd -","- C74 H108 Cl8 N12 O4 Pd4 -","4","2","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","x-ray","0.71073","MoKα","","0.0524","0.0392","","","0.0816","0.0916","","","","","","1.064","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1564311","13.427","0.003","10.938","0.002","19.798","0.004","90","","107.14","0.03","90","","2778.5","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Cl N3 O Pd -","- C32 H34 Cl N3 O Pd -","- C128 H136 Cl4 N12 O4 Pd4 -","4","1","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","","0.71073","MoKα","","0.0446","0.0375","","","0.0863","0.0908","","","","","","1.081","","","","has coordinates","268963","2021-09-06","12:40:24",""
"1564312","18.1028","0.0007","14.4854","0.0005","24.8028","0.0009","90","","101.78","0.004","90","","6367","0.4","113","2","113.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C34.12 H38.25 Cl1.25 N3 O3 Pd -","- C34.125 H38.25 Cl1.25 N3 O3 Pd -","- C273 H306 Cl10 N24 O24 Pd8 -","8","1","","Dong, Jie; Wang, Baiquan","Homo- and copolymerization of norbornene using tridentate IzQO palladium catalysts with dimethylaminoethyl as a side arm","Polymer Chemistry","2021","12","32","4736","4747","10.1039/D1PY00699A","","x-ray","0.71073","MoKα","","0.0544","0.0402","","","0.0822","0.09","","","","","","1.043","","","","has coordinates","268963","2021-09-06","12:40:24",""
"1564313","5.8167","0.0002","17.2043","0.0006","19.0214","0.0008","90","","91.831","0.002","90","","1902.54","0.12","250","2","250","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N O3 S -","- C21 H19 N O3 S -","- C84 H76 N4 O12 S4 -","4","1","","Zhu, Haiqian; Zheng, Hanliang; Zhang, Junhua; Feng, Jian; Kong, Lichun; Zhang, Fang; Xue, Xiao-Song; Zhu, Gangguo","Solvent-controlled photocatalytic divergent cyclization of alkynyl aldehydes: access to cyclopentenones and dihydropyranols","Chemical Science","2021","","","","","10.1039/D1SC03416B","","","0.71073","MoKα","","0.0565","0.0456","","","0.1414","0.158","","","","","","1.115","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564314","10.8083","0.0004","11.6866","0.0006","14.3467","0.0006","90","","90","","90","","1812.16","0.14","250","2","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","Zhu, Haiqian; Zheng, Hanliang; Zhang, Junhua; Feng, Jian; Kong, Lichun; Zhang, Fang; Xue, Xiao-Song; Zhu, Gangguo","Solvent-controlled photocatalytic divergent cyclization of alkynyl aldehydes: access to cyclopentenones and dihydropyranols","Chemical Science","2021","","","","","10.1039/D1SC03416B","","","0.71073","MoKα","","0.0374","0.0311","","","0.0874","0.0977","","","","","","1.151","","","","has coordinates","267888","2021-08-02","01:27:44",""
"1564315","10.2828","0.0016","9.526","0.0015","7.9993","0.0013","90","","90","","90","","783.6","0.2","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","","Machida, Shiori; Kida, Motoki; Muramatsu, Satoru; Hirao, Takehiro; Haino, Takeharu; Inokuchi, Yoshiya","Gas-Phase UV Spectroscopy of Chemical Intermediates Produced in Solution: Oxidation Reactions of Phenylhydrazines by DDQ.","The journal of physical chemistry. A","2021","125","31","6697","6702","10.1021/acs.jpca.1c04669","","","0.71073","MoKa","","0.0421","0.0363","","","0.0768","0.08","","","","","","0.994","","","","has coordinates","268480","2021-09-04","03:00:31",""
"1564316","16.1058","0.0006","12.1316","0.0005","17.2976","0.0007","90","","100.554","0.001","90","","3322.6","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl3 Cr N O P2 -","- C33 H35 Cl3 Cr N O P2 -","- C132 H140 Cl12 Cr4 N4 O4 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0588","0.0396","","","0.0828","0.0932","","","","","","1.06","","","","has coordinates","267929","2021-08-04","03:02:47",""
"1564317","12.7636","0.0003","23.5852","0.0005","15.1155","0.0003","90","","94.688","0.007","90","","4535.03","0.18","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","M1","","- C49 H60 N2 O4 P2 Pt -","- C49 H60 N2 O4 P2 Pt -","- C196 H240 N8 O16 P8 Pt4 -","4","1","","Sotani, Taichi; Mizokuro, Toshiko; Yajima, Tatsuo; Sogawa, Hiromitsu; Sanda, Fumio","Highly photoluminescent poly(norbornene)s carrying platinum‒acetylide complex moieties in their side chains: evaluation of oxygen sensing and TTA‒UC","Polymer Chemistry","2021","12","33","4829","4837","10.1039/D1PY00665G","","","0.71075","MoKα","","0.0348","0.032","","","0.0723","0.0735","","","","","","1.092","","","","has coordinates","268965","2021-09-06","12:40:47",""
"1564318","27.7659","0.0008","5.9001","0.0002","23.9758","0.0007","90","","97.4152","0.0014","90","","3894.9","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1'-Methylenebis(4-<i>tert</i>-butylpyridinium) dichloride hemihydrate","","- C19 H29 Cl2 N2 O0.5 -","- C19 H29 Cl2 N2 O0.5 -","- C152 H232 Cl16 N16 O4 -","8","1","BT4117","Bruekers, J.P.J.; Elemans, J.A.A.W.; Nolte, R.J.M.; Tinnemans, P.","1,1′-Methylenebis(4-tert-butylpyridinium) dichloride hemihydrate","IUCrData","2021","6","8","","","10.1107/S2414314621007689","","","0.71073","MoKα","","0.0657","0.049","","","0.1009","0.1063","","","","","","1.087","","","","has coordinates,has Fobs","267934","2021-08-04","04:15:40",""
"1564321","26.6387","0.0009","28.6958","0.0006","36.1958","0.0012","84.231","0.002","71.432","0.003","87.032","0.002","26089.9","1.4","100","2","100","","","","","","","","","6","P 1","P 1","1","peptide-Foldamer hybrid macrocycle","","","- C102.67 H88.67 Ca0.67 N25.67 O35.17 S6 -","- C102.667 H88.6667 Ca0.666667 N25.6667 O35.1667 S6 -","- C616 H532 Ca4 N154 O211 S36 -","6","6","","Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan","Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles","Chemical Science","2021","","","","","10.1039/D1SC03640H","","","0.97625","Synchrotron","","0.2287","0.1634","","","0.3564","0.4346","","","","","","1.142","","","","has coordinates,has disorder","267947","2021-08-05","00:35:18",""
"1564322","17.90824","0.00009","17.90824","0.00009","46.5216","0.0002","90","","90","","120","","12920.8","0.11","100","2","100.15","","","","","","","","","6","P 65","P 65","170","hybrid Foldamer-peptide macrocycle","","","- C54.26 H54 Ca0.75 N14 O39.41 S3 -","- C55 H57 Ca N14 O22 S3 -","- C330 H342 Ca6 N84 O132 S18 -","6","1","","Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan","Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles","Chemical Science","2021","","","","","10.1039/D1SC03640H","","","0.8","Synchrotron","","0.126","0.1215","","","0.3408","0.3576","","","","","","1.714","","","","has coordinates","267947","2021-08-05","00:35:19",""
"1564323","26.454","0.0002","27.9371","0.0002","30.9544","0.0002","90.9437","0.0006","92.5505","0.0006","91.4316","0.0006","22843.5","0.3","100","2","100","2","","","","","","","","5","P 1","P 1","1","peptide-Foldamer-hybrid","","","- C58.25 H54.88 N15.62 O18.83 S3.02 -","- C58.25 H54.875 N15.625 O18.8275 S3.004 -","- C466 H439 N125 O150.62 S24.032 -","8","8","","Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan","Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles","Chemical Science","2021","","","","","10.1039/D1SC03640H","","","0.97625","Synchrotron","","0.0914","0.0707","","","0.1984","0.22","","","","","","0.996","","","","has coordinates,has disorder","267947","2021-08-05","00:35:19",""
"1564324","13.968","0.0011","15.6349","0.0013","22.5739","0.0017","90.009","0.003","93.393","0.002","90.024","0.003","4921.2","0.7","100","2","100.61","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H61 B N2 -","- C48 H61 B N2 -","- C192 H244 B4 N8 -","4","2","","Mandal, Swadhin K.; Maji, Subir; Das, Arpan","Mesoionic N-heterocyclic Olefin Catalysed Reductive Functionalization of CO2 for Consecutive N-Methylation of Amines","Chemical Science","2021","","","","","10.1039/D1SC02819G","","","0.71073","MoKα","","0.1184","0.0761","","","0.2034","0.241","","","","","","1.028","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1564325","10.086","0.002","5.508","0.002","12.766","0.003","90","","108.14","0.03","90","","674","0.3","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H13 F3 O4 S -","- C12 H13 F3 O4 S -","- C24 H26 F6 O8 S2 -","2","1","","Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing","Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes","Chemical Science","2021","","","","","10.1039/D1SC03315H","","","0.71073","MoKα","","0.0709","0.0576","","","0.1507","0.1614","","","","","","1.038","","","","has coordinates","267949","2021-08-05","00:36:53",""
"1564326","6.8048","0.0003","12.4774","0.0005","17.3856","0.0006","90","","93.185","0.003","90","","1473.87","0.1","170","0.1","170","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 F3 O3 S -","- C14 H17 F3 O3 S -","- C56 H68 F12 O12 S4 -","4","1","","Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing","Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes","Chemical Science","2021","","","","","10.1039/D1SC03315H","","x-ray","0.71073","MoKα","","0.0401","0.0347","","","0.0899","0.0935","","","","","","1.041","","","","has coordinates","267949","2021-08-05","00:36:53",""
"1564327","11.1315","0.0007","8.3917","0.0005","15.5384","0.001","90","","109.425","0.003","90","","1368.85","0.15","273.15","","273.15","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H14 F4 O2 S -","- C13 H14 F4 O2 S -","- C52 H56 F16 O8 S4 -","4","2","","Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing","Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes","Chemical Science","2021","","","","","10.1039/D1SC03315H","","","1.54178","CuKα","","0.0249","0.0246","","","0.0623","0.0625","","","","","","1.068","","","","has coordinates","267949","2021-08-05","00:36:54",""
"1564328","7.406","0.0003","15.9894","0.0006","34.9562","0.0012","90","","94.362","0.003","90","","4127.4","0.3","193","2","193","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 O3 S Si -","- C19 H21 F3 O3 S Si -","- C152 H168 F24 O24 S8 Si8 -","8","2","","Dong, Xinrui; Jiang, Wenhua; Hua, Dexiang; Wang, Xiaohui; Xu, Liang; Wu, Xiaoxing","Radical-Mediated Vicinal Addition of Alkoxysulfonyl/Fluorosulfonyl and Trifluoromethyl Groups to Aryl Alkyl Alkynes","Chemical Science","2021","","","","","10.1039/D1SC03315H","","","1.34139","GaKα","","0.1485","0.0718","","","0.1544","0.1955","","","","","","1.025","","","","has coordinates","267949","2021-08-05","00:36:54",""
"1564329","19.559","0.002","19.559","0.002","16.966","0.003","90","","90","","90","","6490.4","1.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C272 H240 N80 O48 -","16","1","","Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay","A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al<sup>3+</sup> sensing and its application in cell imaging.","Analytical methods : advancing methods and applications","2021","13","37","4266","4279","10.1039/d1ay00963j","","","0.71073","MoKα","","0.083","0.0419","","","0.097","0.115","","","","","","1.008","","","","has coordinates","269598","2021-10-06","13:26:33",""
"1564330","8.4663","0.0013","9.2044","0.0014","11.8424","0.0018","73.774","0.002","70.534","0.002","80.563","0.002","832.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 N12 O12 -","- C34 H28 Cu2 N12 O12 -","- C34 H28 Cu2 N12 O12 -","1","0.5","","Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay","A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al<sup>3+</sup> sensing and its application in cell imaging.","Analytical methods : advancing methods and applications","2021","13","37","4266","4279","10.1039/d1ay00963j","","","0.71073","MoKα","","0.0712","0.0578","","","0.1501","0.1653","","","","","","1.096","","","","has coordinates","269598","2021-10-06","13:26:35",""
"1564331","6.6496","0.0005","18.782","0.002","9.083","0.0008","90","","105.116","0.005","90","","1095.15","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","","Ravi, Arthi; Shijad, Amina; Sureshan, Kana M.","Single-crystal-to-single-crystal synthesis of a pseudostarch via topochemical azide-alkyne cycloaddition polymerization","Chemical Science","2021","","","","","10.1039/D1SC03727G","","","0.71073","MoKα","","0.0483","0.0338","","","0.0812","0.0908","","","","","","1.052","","","","has coordinates","267977","2021-08-07","00:30:24",""
"1564332","6.792","0.002","17.062","0.005","9.698","0.003","90","","109.159","0.008","90","","1061.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","","Ravi, Arthi; Shijad, Amina; Sureshan, Kana M.","Single-crystal-to-single-crystal synthesis of a pseudostarch via topochemical azide-alkyne cycloaddition polymerization","Chemical Science","2021","","","","","10.1039/D1SC03727G","","","0.71073","MoKα","","0.0885","0.0496","","","0.1169","0.1365","","","","","","1.046","","","","has coordinates","267977","2021-08-07","00:30:25",""
"1564333","27.4341","0.0008","14.0679","0.0004","16.1319","0.0005","90","","96.078","0.003","90","","6191","0.3","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H34 Cl2 N2 O3 S -","- C35 H34 Cl2 N2 O3 S -","- C280 H272 Cl16 N16 O24 S8 -","8","1","","McLaughlin, Calum; Bitai, Jacqueline; Barber, Lydia; Slawin, Alexandra; Smith, Andrew D.","Catalytic Enantioselective Synthesis of 1,4-Dihydropyridines via the Addition of C(1)-Ammonium Enolates to Pyridinium Salts","Chemical Science","2021","","","","","10.1039/D1SC03860E","","","0.71073","MoKα","","0.0436","0.0372","","","0.1037","0.1065","","","","","","1.089","","","","has coordinates","267978","2021-08-07","00:30:50",""
"1564334","9.5504","0.0009","25.159","0.003","10.9734","0.0011","90","","93.671","0.001","90","","2631.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 N O2 Si2 -","- C27 H33 N O2 Si2 -","- C108 H132 N4 O8 Si8 -","4","1","","Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan","Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement","Chemical Science","2021","","","","","10.1039/D1SC03487A","","","0.71073","MoKα","","0.0684","0.0549","","","0.1404","0.1468","","","","","","1.041","","","","has coordinates","267999","2021-08-09","22:31:58",""
"1564335","8.468","0.007","10.762","0.009","13.404","0.011","112.361","0.01","99.502","0.011","100.767","0.011","1071.7","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Cl N O Si -","- C24 H22 Cl N O Si -","- C48 H44 Cl2 N2 O2 Si2 -","2","1","","Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan","Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement","Chemical Science","2021","","","","","10.1039/D1SC03487A","","","0.71073","MoKα","","0.0754","0.0535","","","0.1406","0.1552","","","","","","1.037","","","","has coordinates","267999","2021-08-09","22:31:59",""
"1564336","12.1901","0.0007","10.4424","0.0006","26.468","0.0016","90","","90","","90","","3369.2","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 F N Si -","- C20 H20 F N Si -","- C160 H160 F8 N8 Si8 -","8","1","","Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan","Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement","Chemical Science","2021","","","","","10.1039/D1SC03487A","","","0.71073","MoKα","","0.0552","0.0409","","","0.1054","0.1122","","","","","","1.051","","","","has coordinates","267999","2021-08-09","22:31:59",""
"1564337","12.7304","0.0006","14.6636","0.0006","9.7331","0.0004","90","","90","","90","","1816.91","0.14","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H31 B O2 Si -","- C14 H31 B O2 Si -","- C56 H124 B4 O8 Si4 -","4","0.5","","Takeuchi, Takumi; Shishido, Ryosuke; Kubota, Koji; Ito, Hajime","Synthesis of hydrosilylboronates via the monoborylation of a dihydrosilane Si‒H bond and their application for the generation of dialkylhydrosilyl anions","Chemical Science","2021","","","","","10.1039/D1SC01440D","","x-ray","0.71073","MoKα","","0.0948","0.0772","","","0.2346","0.2568","","","","","","1.043","","","","has coordinates,has disorder","268011","2021-08-10","22:17:13",""
"1564338","17.504","0.003","21.031","0.003","16.726","0.003","90","","99.406","0.004","90","","6074.5","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Gross222b (Chosen)","","","- C61 H37 F20 N5 Pd2 -","- C61 H37 F20 N5 Pd2 -","- C244 H148 F80 N20 Pd8 -","4","0.5","","Chen, Qiu-Cheng; Fridman, Natalia; Tumanskii, Boris L.; Gross, Zeev","Chromophore-Supported Structural and Functional Model of Dinuclear Copper Enzymes, for Facilitating Mechanism of Action Studies","Chemical Science","2021","","","","","10.1039/D1SC02593G","","","0.71073","MoKα","","0.0923","0.0546","","","0.1318","0.1511","","","","","","1.012","","","","has coordinates,has disorder","268012","2021-08-10","22:17:47",""
"1564339","7.8433","0.0002","18.5899","0.0005","21.063","0.0005","89.12","0.002","86.471","0.002","86.785","0.002","3060.25","0.13","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C69 H45 F20 N5 O3 Pd -","- C69 H45 F20 N5 O3 Pd -","- C138 H90 F40 N10 O6 Pd2 -","2","1","","Chen, Qiu-Cheng; Fridman, Natalia; Tumanskii, Boris L.; Gross, Zeev","Chromophore-Supported Structural and Functional Model of Dinuclear Copper Enzymes, for Facilitating Mechanism of Action Studies","Chemical Science","2021","","","","","10.1039/D1SC02593G","","x-ray","1.54184","CuKα","","0.0759","0.0706","","","0.1806","0.1841","","","","","","1.131","","","","has coordinates,has disorder","268012","2021-08-10","22:17:48",""
"1564340","16.8535","0.0002","17.7481","0.0002","26.0471","0.0004","82.901","0.001","71.963","0.001","64.534","0.001","6688.07","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","1^4^,7^4^:1^6^,3^6^:3^4^,5^6^:5^4^,7^6^-Tetrakis(4,5-dihydroxy[1,2]benzeno)-2,4,6,8-tetraethyl-1,3,5,7(1,3)-tetrabenzenacyclooctaphane","","- C143 H154.89 Br Cl1.11 N O23.63 -","- C143 H154.89 Br Cl1.11 N O23.63 -","- C286 H309.78 Br2 Cl2.22 N2 O47.26 -","2","1","","Smith, Jordan N.; Ennis, Courtney; Lucas, Nigel T.","Rigid, biconical hydrogen-bonded dimers that strongly encapsulate cationic guests in solution and the solid state","Chemical Science","2021","","","","","10.1039/D1SC01802G","","","0.71073","MoKα","","0.0824","0.0616","","","0.1654","0.1815","","","","","","1.035","","","","has coordinates,has disorder","268033","2021-08-11","22:20:21",""
"1564341","33.96777","0.00012","14.44849","0.00004","31.66428","0.00014","90","","102.711","0.0004","90","","15159.4","0.1","99.99","0.1","99.99","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C100.1 H74.4 Cl11.998 N24 O2.2 Zn5.999 -","- C400.4 H297.6 Cl47.992 N96 O8.8 Zn23.996 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0719","0.0703","","","0.2131","0.2169","","","","","","1.083","","","","has coordinates,has disorder","268490","2021-09-06","08:46:02",""
"1564342","33.9894","0.0002","14.4455","0.0001","31.8985","0.0002","90","","103.004","0.001","90","","15260.3","0.18","100","0.1","100","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C100.1 H74.4 Cl12 N24 O2.2 Zn6 -","- C400.4 H297.6 Cl48 N96 O8.8 Zn24 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0831","0.0791","","","0.2365","0.2446","","","","","","1.062","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564343","31.9635","0.0007","7.78","0.0001","30.6494","0.0006","90","","115.897","0.003","90","","6856.4","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69.86 H48.51 Br2 Cu2 N6 O14.22 -","- C69.864 H48.508 Br2 Cu2 N6 O14.218 -","- C279.456 H194.032 Br8 Cu8 N24 O56.872 -","4","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0659","0.0631","","","0.1904","0.1926","","","","","","1.121","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564344","30.0915","0.001","7.7107","0.0001","32.6089","0.0011","90","","117.332","0.004","90","","6721.5","0.4","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H25 Br Cu N3 O7 -","- C36 H25 Br Cu N3 O7 -","- C288 H200 Br8 Cu8 N24 O56 -","8","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0883","0.0845","","","0.2361","0.2394","","","","","","1.123","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564345","10.1914","0.0001","25.0599","0.0004","11.4275","0.0001","90","","91.92","0.001","90","","2916.89","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.35 -","- C62 H55 Co2 N9 O14.35 -","- C124 H110 Co4 N18 O28.7 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0865","0.0857","","","0.2209","0.2214","","","","","","1.163","","","","has coordinates","268490","2021-09-06","08:46:03",""
"1564346","10.209","0.0001","24.9298","0.0003","11.4431","0.0001","90","","92.162","0.001","90","","2910.29","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.6 -","- C62 H55 Co2 N9.001 O14.603 -","- C124 H110 Co4 N18.002 O29.206 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0649","0.0642","","","0.1734","0.1738","","","","","","1.165","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564347","10.197","0.0001","25.0123","0.0003","11.4337","0.0001","90","","91.608","0.001","90","","2915.02","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.23 -","- C62 H55 Co2 N9 O14.236 -","- C124 H110 Co4 N18 O28.472 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0695","0.0681","","","0.1809","0.1821","","","","","","1.136","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564348","10.1921","0.0001","24.8616","0.0003","11.4435","0.0001","90","","91.181","0.001","90","","2899.07","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60.7 H53.05 Co2 N8.35 O14.87 -","- C60.7 H53.05 Co2 N8.35 O14.873 -","- C121.4 H106.1 Co4 N16.7 O29.746 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0702","0.0693","","","0.1873","0.188","","","","","","1.168","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564349","10.201","0.0001","24.9173","0.0004","11.4379","0.0001","90","","91.991","0.001","90","","2905.55","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H55 Co2 N9 O14.49 -","- C62 H55 Co2 N9 O14.495 -","- C124 H110 Co4 N18 O28.99 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0761","0.0746","","","0.2012","0.2025","","","","","","1.162","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564350","10.2096","0.0001","25.0473","0.0002","11.4373","0.0001","90","","91.898","0.001","90","","2923.18","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C63.3 H56.95 Co2 N9.65 O14.66 -","- C63.3 H56.95 Co2 N9.65 O14.654 -","- C126.6 H113.9 Co4 N19.3 O29.308 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0577","0.0568","","","0.1455","0.1461","","","","","","1.204","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564351","10.1904","0.0001","24.7362","0.0002","11.4299","0.0001","90","","91.78","0.001","90","","2879.76","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C57.8 H60.8 Co2 N8 O14.19 -","- C57.8 H60.8 Co2 N8 O14.192 -","- C115.6 H121.6 Co4 N16 O28.384 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0525","0.0501","","","0.135","0.1367","","","","","","1.075","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564352","10.1988","0.0001","24.6101","0.0002","11.4337","0.0001","90","","92.754","0.001","90","","2866.47","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H64 Co2 N8 O14.16 -","- C59 H64 Co2 N8 O14.176 -","- C118 H128 Co4 N16 O28.352 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0561","0.053","","","0.1424","0.1444","","","","","","1.07","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564353","10.1997","0.0002","24.6572","0.0006","11.4298","0.0002","90","","92.469","0.002","90","","2871.88","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H64 Co2 N8 O14.19 -","- C59 H64 Co2 N8 O14.187 -","- C118 H128 Co4 N16 O28.374 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.1281","0.1188","","","0.3182","0.3341","","","","","","1.038","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564354","10.1785","0.0002","24.7746","0.0004","11.4257","0.0001","90","","91.43","0.001","90","","2880.3","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58.03 H61.41 Co2 N8 O14.17 -","- C58.037 H61.432 Co2 N8 O14.168 -","- C116.074 H122.864 Co4 N16 O28.336 -","2","1","","Taniguchi, Yoshimasa; Miwa, Mayuka; Kitada, Naoki","Crystalline sponge X-ray analysis coupled with supercritical fluid chromatography: a novel analytical platform for the rapid separation, isolation, and characterization of analytes.","The Analyst","2021","146","17","5230","5235","10.1039/d1an00948f","","","1.54184","CuKα","","0.0659","0.0589","","","0.1519","0.157","","","","","","1.062","","","","has coordinates,has disorder","268490","2021-09-06","08:46:03",""
"1564355","16.25","0.008","18.296","0.007","25.707","0.012","98.113","0.01","91.34","0.009","108.395","0.01","7161","6","150.15","","150.15","","","","","","","","","3","P -1","-P 1","2","","","","- C66 H72 O18 -","- C66 H72 O18 -","- C264 H288 O72 -","4","2","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]– clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","","0.71073","MoKα","","0.1685","0.1093","","","0.31","0.3558","","","","","","1.081","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1564356","21.8356","0.0001","21.8356","0.0001","27.6959","0.0002","90","","90","","120","","11436.1","0.11","100","0.4","100","0.4","","","","","","","","6","R -3 :H","-R 3","148","","","","- C140 H150 Br18.56 Cl0.44 N6 O36 -","- C140 H150 Br18.55 Cl0.45 N6 O36 -","- C420 H450 Br55.65 Cl1.35 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","x-ray","1.54184","CuKα","","0.0851","0.0848","","","0.1964","0.1965","","","","","","1.178","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564357","21.738","0.003","21.738","0.003","27.712","0.005","90","","90","","120","","11341","3","150.15","","150.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C140 H161 Cl18 I N6 O36 -","- C140 H161 Cl18 I N6 O36 -","- C420 H483.001 Cl54 I3 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","","0.71073","MoKα","","0.1106","0.1032","","","0.2752","0.2797","","","","","","1.113","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564358","21.86","0.0008","21.86","0.0008","27.7568","0.001","90","","90","","120","","11486.8","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C140 H161 Br Cl18 N6 O36 -","- C140 H161 Br Cl18 N6 O36 -","- C420 H483.001 Br3 Cl54 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","x-ray","1.54184","CuKα","","0.1225","0.1013","","","0.2969","0.32","","","","","","1.068","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564359","21.694","0.003","21.694","0.003","27.48","0.004","90","","90","","120","","11200","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C140 H157.96 Cl19 N6 O36 -","- C140 H157.928 Cl19 N6 O36 -","- C420 H473.785 Cl57 N18 O108 -","3","0.166667","","Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing","Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters","Chemical Science","2021","","","","","10.1039/D1SC03713G","","","0.71073","MoKα","","0.1128","0.1054","","","0.2633","0.267","","","","","","1.155","","","","has coordinates,has disorder","268055","2021-08-12","22:23:25",""
"1564360","13.4583","0.0005","18.6349","0.0007","14.6168","0.0005","90","","95.151","0.003","90","","3651","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cl11 P Si3 -","- C27 H20 Cl11 P Si3 -","- C108 H80 Cl44 P4 Si12 -","4","1","","Georg, Isabelle; Bursch, Markus; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","The power of trichlorosilylation: isolable trisilylated allyl anions, allyl radicals, and allenyl anions","Chemical Science","2021","","","","","10.1039/D1SC03958J","","","0.71073","MoKα","","0.0512","0.0382","","","0.094","0.1019","","","","","","1.032","","","","has coordinates","268069","2021-08-13","22:13:48",""
"1564361","9.9571","0.0004","14.4731","0.0006","21.473","0.0009","90","","102.62","0.002","90","","3019.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate","","- C28 H35 Br3 N2 Ni O0.5 P -","- C28 H35 Br3 N2 Ni O0.5 P -","- C112 H140 Br12 N8 Ni4 O2 P4 -","4","1","WM4149","Peppel, Tim; Köckerling, Martin","1-Butyl-3-methylimidazolium tribromido(triphenylphosphane-κ<i>P</i>)nickelate(II) butan-1-ol hemisolvate","IUCrData","2021","6","8","x210818","","10.1107/S241431462100818X","","","0.71073","MoKα","","0.0367","0.0277","","","0.0634","0.0677","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","268077","2021-08-14","02:13:52",""
"1564362","9.4146","0.0013","11.9706","0.0017","13.702","0.002","90","","90","","90","","1544.2","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-\ 1,2,4-triazol-5-ylidene)rhodium(I)","","- C14 H23 Br0.16 Cl0.84 N3 Rh -","- C14 H23 Br0.154 Cl0.846 N3 Rh -","- C56 H92 Br0.616 Cl3.384 N12 Rh4 -","4","1","WM4151","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2021","6","8","x210811","","10.1107/S2414314621008117","","","0.71073","MoKα","","0.0316","0.0265","","","0.0558","0.0574","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","268078","2021-08-14","02:14:20",""
"1564363","20.9185","0.0007","11.139","0.0004","21.6643","0.0007","90","","117.906","0.001","90","","4461","0.3","","","210.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 F12 N5 P3 Ru -","- C43 H40 F12 N5 P3 Ru -","- C172 H160 F48 N20 P12 Ru4 -","4","1","","Lanquist, Austin P.; Gupta, Sayak; Al-Afyouni, Kathlyn F.; Al-Afyouni, Malik; Kodanko, Jeremy J.; Turro, Claudia","Trifluoromethyl substitution enhances photoinduced activity against breast cancer cells but reduces ligand exchange in Ru(ii) complex","Chemical Science","2021","","","","","10.1039/D1SC03213E","","","0.71073","MoKα","","0.0866","0.0747","","","0.1731","0.1915","","","","","","1.1261","","","","has coordinates","268103","2021-08-17","22:14:13",""
"1564364","11.6837","0.0005","24.9343","0.0011","17.5584","0.0008","90","","90.019","0.002","90","","5115.2","0.4","150","2","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 F21 N5 O0.25 P3 Ru -","- C43 H31 F21 N5 P3 Ru -","- C172 H124 F84 N20 P12 Ru4 -","4","1","","Lanquist, Austin P.; Gupta, Sayak; Al-Afyouni, Kathlyn F.; Al-Afyouni, Malik; Kodanko, Jeremy J.; Turro, Claudia","Trifluoromethyl substitution enhances photoinduced activity against breast cancer cells but reduces ligand exchange in Ru(ii) complex","Chemical Science","2021","","","","","10.1039/D1SC03213E","","","0.71073","MoKα","","0.0857","0.079","","","0.2769","0.2867","","","","","","2.584","","","","has coordinates","268103","2021-08-17","22:14:15",""
"1564365","10.8997","0.0003","20.697","0.0006","19.6616","0.0005","90","","100.523","0.001","90","","4360.9","0.2","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 F15 N5 P3 Ru -","- C42 H34 F15 N6 P3 Ru -","- C168 H136 F60 N24 P12 Ru4 -","4","1","","Lanquist, Austin P.; Gupta, Sayak; Al-Afyouni, Kathlyn F.; Al-Afyouni, Malik; Kodanko, Jeremy J.; Turro, Claudia","Trifluoromethyl substitution enhances photoinduced activity against breast cancer cells but reduces ligand exchange in Ru(ii) complex","Chemical Science","2021","","","","","10.1039/D1SC03213E","","","0.71073","MoKα","","0.0343","0.0293","","","0.1119","0.1194","","","","","","1.049","","","","has coordinates","268103","2021-08-17","22:14:15",""
"1564366","10.3218","0.0006","20.5556","0.0014","21.4","0.0014","90","","91.67","0.002","90","","4538.5","0.5","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H40 F12 N5 O3 P3 Ru -","- C43 H40 F12 N5 O3 P3 Ru -","- C172 H160 F48 N20 O12 P12 Ru4 -","4","1","","Lanquist, Austin P.; Gupta, Sayak; Al-Afyouni, Kathlyn F.; Al-Afyouni, Malik; Kodanko, Jeremy J.; Turro, Claudia","Trifluoromethyl substitution enhances photoinduced activity against breast cancer cells but reduces ligand exchange in Ru(ii) complex","Chemical Science","2021","","","","","10.1039/D1SC03213E","","","0.71073","MoKα","","0.0424","0.0397","","","0.1771","0.1829","","","","","","1.701","","","","has coordinates","268103","2021-08-17","22:14:16",""
"1564367","19.0877","0.0003","12.5735","0.0002","19.8551","0.0004","90","","105.015","0.001","90","","4602.51","0.14","","","150.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 F12 N5 O P3 Ru -","- C44 H44 F12 N5 O P3 Ru -","- C176 H176 F48 N20 O4 P12 Ru4 -","4","1","","Lanquist, Austin P.; Gupta, Sayak; Al-Afyouni, Kathlyn F.; Al-Afyouni, Malik; Kodanko, Jeremy J.; Turro, Claudia","Trifluoromethyl substitution enhances photoinduced activity against breast cancer cells but reduces ligand exchange in Ru(ii) complex","Chemical Science","2021","","","","","10.1039/D1SC03213E","","","0.71073","MoKα","","0.0258","0.0237","","","0.11","0.1168","","","","","","1.0898","","","","has coordinates","268103","2021-08-17","22:14:16",""
"1564368","10.7158","0.0017","13.075","0.002","13.2554","0.0019","77.68","0.005","78.11","0.005","67.114","0.006","1655.9","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","(4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate","","- C36 H38 B F4 Ir N3 P -","- C36 H38 B F4 Ir N3 P -","- C72 H76 B2 F8 Ir2 N6 P2 -","2","1","WM4152","Newman, Elliott B.; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(4-Benzyl-1-methyl-1,2,4-triazol-5-ylidene)[(1,2,5,6-η)-cycloocta-1,5-diene](triphenylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate","IUCrData","2021","6","8","x210836","","10.1107/S2414314621008361","","","0.71073","MoKα","","0.0301","0.0229","","","0.0488","0.0516","","","","","","1.047","","","","has coordinates,has Fobs","268122","2021-08-18","02:27:15",""
"1564369","15.0331","0.0006","5.0718","0.0003","15.8131","0.0008","90","","111.04","0.002","90","","1125.29","0.1","120","2","120","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H12 B2 N2 O2 -","- C12 H12 B2 N2 O2 -","- C48 H48 B8 N8 O8 -","4","1","","Li, Xiaopei; Wang, Dongdong; Zhang, Yongjie; Lu, Wenqi; Yang, Songqiu; Hou, Guangjin; Zhao, Zhenchao; Qin, Haijuan; Zhang, Yahui; Li, Minmin; Qing, Guangyan","A novel aggregation‒induced enhanced emission aromatic molecule: 2-aminophenylboronic acid dimer","Chemical Science","2021","","","","","10.1039/D1SC03765J","","","0.71073","MoKα","","0.0792","0.0482","","","0.1048","0.1204","","","","","","1.027","","","","has coordinates","268124","2021-08-18","22:10:38",""
"1564370","17.0143","0.0005","17.0143","0.0005","23.529","0.001","90","","90","","120","","5898.8","0.4","193","2","193","2","","","","","","","","6","P 65","P 65","170","","","","- C29 H65 N3 O13 P3 Tb -","- C29 H65 N3 O13 P3 Tb -","- C174 H390 N18 O78 P18 Tb6 -","6","1","","Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min","From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers","Chemical Science","2021","","","","","10.1039/D1SC01913A","","","0.71073","MoKα","","0.0295","0.0255","","","0.0574","0.0597","","","","","","1.039","","","","has coordinates","268125","2021-08-18","22:11:12",""
"1564371","17.031","0.0006","17.031","0.0006","23.5742","0.0012","90","","90","","120","","5921.7","0.4","193","2","193","2","","","","","","","","6","P 61","P 61","169","","","","- C29 H65 N3 O13 P3 Tb -","- C29 H65 N3 O13 P3 Tb -","- C174 H390 N18 O78 P18 Tb6 -","6","1","","Weng, Guo-Guo; Hong, Ben-Kun; Bao, Song-Song; Wen, Yujie; Wu, Lan-Qing; Huang, Xin-Da; Jia, Jia-Ge; Wen, Ge-Hua; Li, Shuhua; Peng, Luming; Zheng, Li-Min","From helix to superhelix: hierarchical assembly of homochiral van der Waals 1D coordination polymers","Chemical Science","2021","","","","","10.1039/D1SC01913A","","","1.34139","GaKα","","0.0395","0.0368","","","0.0889","0.0907","","","","","","1.035","","","","has coordinates","268125","2021-08-18","22:11:12",""
"1564372","14.2581","0.0002","14.80263","0.00018","15.5045","0.0003","106.799","0.0013","114.156","0.0017","91.4673","0.0012","2819.33","0.09","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H172 N4 O24 Si6 U2 -","- C72 H172 N4 O24 Si6 U2 -","- C72 H172 N4 O24 Si6 U2 -","1","0.5","","Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella","Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides","Chemical Science","2021","","","","","10.1039/D1SC03957A","","x-ray","1.54184","CuKα","","0.027","0.0254","","","0.0667","0.0672","","","","","","1.011","","","","has coordinates","268126","2021-08-18","22:12:42",""
"1564373","25.5184","0.0004","14.0899","0.0004","61.6564","0.0014","90","","90.99","0.0019","90","","22165.4","0.9","140","0.1","140","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H179 N O26 Si6 U2 -","- C80 H179 N O26 Si6 U2 -","- C640 H1432 N8 O208 Si48 U16 -","8","1","","Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella","Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides","Chemical Science","2021","","","","","10.1039/D1SC03957A","","x-ray","1.54184","CuKα","","0.1012","0.0565","","","0.1209","0.1387","","","","","","1.01","","","","has coordinates,has disorder","268126","2021-08-18","22:12:43",""
"1564374","11.3861","0.0004","14.4053","0.0006","15.2365","0.0006","70.121","0.004","69.828","0.004","89.22","0.003","2190.76","0.17","140.01","0.1","140.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C84 H126 B2 N4 O6 Si4 U2 -","- C84 H126 B2 N4 O6 Si4 U2 -","- C84 H126 B2 N4 O6 Si4 U2 -","1","0.5","","Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella","Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides","Chemical Science","2021","","","","","10.1039/D1SC03957A","","x-ray","1.54184","CuKα","","0.0458","0.0403","","","0.1004","0.1022","","","","","","0.999","","","","has coordinates,has disorder","268126","2021-08-18","22:12:43",""
"1564375","29.5736","0.0003","13.29349","0.00009","24.4177","0.0002","90","","106.706","0.001","90","","9194.29","0.14","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H128 B3 N3 O8 U2 -","- C104 H128 B3 N3 O8 U2 -","- C416 H512 B12 N12 O32 U8 -","4","1","","Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella","Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides","Chemical Science","2021","","","","","10.1039/D1SC03957A","","x-ray","1.54184","CuKα","","0.0302","0.0281","","","0.0693","0.0709","","","","","","1.057","","","","has coordinates,has disorder","268126","2021-08-18","22:12:43",""
"1564376","13.3639","0.0003","14.7692","0.0003","17.1055","0.0004","103.786","0.0018","98.6207","0.0018","115.188","0.002","2843.26","0.13","140.01","0.1","140.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C110 H128 B2 N14 Si4 U2 -","- C110 H128 B2 N14 Si4 U2 -","- C110 H128 B2 N14 Si4 U2 -","1","0.5","","Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella","Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides","Chemical Science","2021","","","","","10.1039/D1SC03957A","","x-ray","1.54184","CuKα","","0.0311","0.0298","","","0.0802","0.0814","","","","","","1.032","","","","has coordinates","268126","2021-08-18","22:12:43",""
"1564377","13.6571","0.0005","14.5356","0.0005","22.711","0.0008","78.867","0.003","72.917","0.003","73.341","0.003","4099.4","0.3","140","0.1","140","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C70 H125 B N O14.5 Si3 U -","- C70 H125 B N O14.5 Si3 U -","- C140 H250 B2 N2 O29 Si6 U2 -","2","1","","Keener, Megan; Scopelliti, Rosario; Mazzanti, Marinella","Nitride Protonation and NH3 Binding versus N‒H Bond Cleavage in Uranium Nitrides","Chemical Science","2021","","","","","10.1039/D1SC03957A","","x-ray","1.54184","CuKα","","0.0524","0.0432","","","0.1045","0.1117","","","","","","1.03","","","","has coordinates,has disorder","268126","2021-08-18","22:12:43",""
"1564378","12.4454","0.0003","13.2667","0.0004","16.8433","0.0005","76.118","0.002","87.983","0.002","82.56","0.002","2677.01","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Cl Cu3 N15 O8 -","- C56 H40 Cl Cu3 N15 O8 -","- C112 H80 Cl2 Cu6 N30 O16 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","1.54184","CuKα","","0.0473","0.0383","","","0.0958","0.1032","","","","","","1.02","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564379","7.881","0.0002","10.7847","0.0003","12.077","0.0004","91.738","0.002","105.882","0.002","95.876","0.002","980.28","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl Cu N5 O6 -","- C19 H18 Cl Cu N5 O6 -","- C38 H36 Cl2 Cu2 N10 O12 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","0.71073","MoKα","","0.0546","0.039","","","0.0835","0.0923","","","","","","1.059","","","","has coordinates","270342","2021-11-06","18:30:02",""
"1564380","22.4917","0.0005","10.2847","0.0002","12.0025","0.0003","90","","90","","90","","2776.42","0.11","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H26 F3 Mn N5 O5 S -","- C26 H26 F3 Mn N5 O5 S -","- C104 H104 F12 Mn4 N20 O20 S4 -","4","1","","Opalade, Adedamola A.; Parham, Josh D.; Day, Victor W.; Jackson, Timothy A.","Characterization and Chemical Reactivity of Room-Temperature-Stable MnIII-alkylperoxo Complexes","Chemical Science","2021","","","","","10.1039/D1SC01976G","","","1.54178","CuKα","","0.0452","0.042","","","0.0987","0.1006","","","","","","1.007","","","","has coordinates","268162","2021-08-21","22:11:49",""
"1564381","8.8894","0.0004","12.1129","0.0005","18.7531","0.0009","81.779","0.003","82.588","0.003","72.703","0.003","1900.13","0.15","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H38 F3 Mn N6 O6 S -","- C37 H38 F3 Mn N6 O6 S -","- C74 H76 F6 Mn2 N12 O12 S2 -","2","1","","Opalade, Adedamola A.; Parham, Josh D.; Day, Victor W.; Jackson, Timothy A.","Characterization and Chemical Reactivity of Room-Temperature-Stable MnIII-alkylperoxo Complexes","Chemical Science","2021","","","","","10.1039/D1SC01976G","","","1.54178","CuKα","","0.0873","0.0766","","","0.22","0.2282","","","","","","1.081","","","","has coordinates","268162","2021-08-21","22:11:49",""
"1564382","22.7367","0.0009","10.226","0.0004","11.5888","0.0004","90","","90","","90","","2694.46","0.18","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H25 F3 Mn N5 O5 S -","- C26 H25 F3 Mn N5 O5 S -","- C104 H100 F12 Mn4 N20 O20 S4 -","4","1","","Opalade, Adedamola A.; Parham, Josh D.; Day, Victor W.; Jackson, Timothy A.","Characterization and Chemical Reactivity of Room-Temperature-Stable MnIII-alkylperoxo Complexes","Chemical Science","2021","","","","","10.1039/D1SC01976G","","","1.54178","CuKα","","0.0659","0.0603","","","0.1696","0.1757","","","","","","1.162","","","","has coordinates","268162","2021-08-21","22:11:50",""
"1564383","10.7675","0.001","11.1454","0.0013","17.315","0.002","89.825","0.005","87.094","0.006","82.139","0.005","2055.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42.56 H56.56 N5 O5.22 Zn -","- C42.562 H56.562 N5 O5.219 Zn -","- C85.124 H113.124 N10 O10.438 Zn2 -","2","1","","Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J.; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","β-Trioxopyrrocorphins: Pyrrocorphins of graded aromaticity","Chemical Science","2021","","","","","10.1039/D1SC03403K","","","1.54178","CuKα","","0.0674","0.0532","","","0.1338","0.1428","","","","","","1.05","","","","has coordinates,has disorder","268163","2021-08-21","22:12:59",""
"1564384","12.2252","0.0004","12.1333","0.0004","22.9886","0.0008","90","","90.0171","0.0016","90","","3409.9","0.2","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C36.32 H47.29 N4 O3.32 -","- C36.323 H47.292 N4 O3.323 -","- C145.292 H189.168 N16 O13.292 -","4","2","","Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J.; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","β-Trioxopyrrocorphins: Pyrrocorphins of graded aromaticity","Chemical Science","2021","","","","","10.1039/D1SC03403K","","","1.54178","CuKα","","0.049","0.0463","","","0.1172","0.1197","","","","","","1.061","","","","has coordinates,has disorder","268163","2021-08-21","22:13:00",""
"1564385","12.0722","0.0006","18.1055","0.0009","19.2232","0.001","67.041","0.002","88.923","0.002","78.976","0.002","3790.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H49 N5 O3 Zn -","- C41 H49 N5 O3 Zn -","- C164 H196 N20 O12 Zn4 -","4","2","","Chaudhri, Nivedita; Guberman-Pfeffer, Matthew J.; Li, Ruoshi; Zeller, Matthias; Brückner, Christian","β-Trioxopyrrocorphins: Pyrrocorphins of graded aromaticity","Chemical Science","2021","","","","","10.1039/D1SC03403K","","","0.71073","MoKα","","0.0752","0.0583","","","0.1561","0.1677","","","","","","1.084","","","","has coordinates,has disorder","268163","2021-08-21","22:13:00",""
"1564386","8.9169","0.0003","10.0932","0.0003","10.9734","0.0004","82.217","0.003","83.123","0.003","67.004","0.003","898.33","0.06","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","(rac)-3aa","(E)-5-(hex-2-en-1-yl)-4,5-diphenyl-5H-1,2,3-oxathiazole-2,2,-dioxide","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.0383","0.0341","","","0.0955","0.0981","","","","","","1.047","","","","has coordinates","268164","2021-08-21","22:14:03",""
"1564387","8.4602","0.0002","10.8079","0.0003","19.9865","0.0005","90","","90","","90","","1827.51","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4aa","(E)-3-(hex-2-en-1-yl)-4,5-diphenyl-3H-1,2,3-oxathiazole 2,2-dioxide","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.0481","0.0365","","","0.0856","0.0906","","","","","","1.062","","","","has coordinates,has disorder","268164","2021-08-21","22:14:03",""
"1564388","9.0008","0.0002","15.0151","0.0003","10.6877","0.0002","90","","107.229","0.002","90","","1379.61","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","(S,S)-3fa","(E)-5-(1,3-diphenylallyl)-4,5-diphenyl-5H-1,2,3-oxathiazole-2,2-dioxide","","- C33 H31 N O4 S -","- C33 H31 N O4 S -","- C66 H62 N2 O8 S2 -","2","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.047","0.0389","","","0.0943","0.099","","","","","","1.059","","","","has coordinates","268164","2021-08-21","22:14:03",""
"1564389","9.2466","0.0002","10.2138","0.0003","10.4986","0.0003","90","","94.584","0.002","90","","988.35","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-3ca","5-cinnamyl-4,5-diphenyl-5H-1,2,3-oxathiazole 2,2-dioxide","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.0443","0.038","","","0.0973","0.1011","","","","","","1.043","","","","has coordinates","268164","2021-08-21","22:14:03",""
"1564390","10.0914","0.0004","10.2497","0.0004","18.7657","0.0007","90","","90","","90","","1941.01","0.13","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3aa","(E)-5-(hex-2-en-1-yl)-4,5-diphenyl-5H-1,2,3-oxathiazole-2,2-dioxide","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.1078","0.0516","","","0.129","0.1548","","","","","","1.003","","","","has coordinates","268164","2021-08-21","22:14:04",""
"1564391","9.3338","0.0001","13.3779","0.0002","16.4362","0.0002","79.162","0.001","86.863","0.001","79.577","0.001","1982.01","0.04","180","0.1","180","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 O8 S2 -","- C42 H52 O8 S2 -","- C84 H104 O16 S4 -","2","1","","Yu, Xia; Meng, Yuzhang; Zhang, Hao; Guo, Junbo; Wang, Shixian; Li, Hui; Hu, Jun; Li, Min-Hui","Trans/Cis-Stereoisomers of Triterpenoid-Substituted Tetraphenylethene: Aggregation-Induced Emission, Aggregate Morphology and Mechano-chromism","Nanoscale","2021","","","","","10.1039/D1NR04353F","","x-ray","1.54184","CuKα","","0.0503","0.0462","","","0.1296","0.1335","","","","","","1.057","","","","has coordinates,has disorder","268165","2021-08-22","00:04:45",""
"1564392","10.1211","0.0011","11.5033","0.0012","12.865","0.0014","108.536","0.003","97.069","0.003","96.61","0.003","1390.3","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H31 O26 Sm2 -","- C15 H31 O26 Sm2 -","- C30 H62 O52 Sm4 -","2","1","","Zhao, Xiao-Yang; Wang, Jia; Yang, Qi-Shan; Fu, Dong-Lei; Jiang, Dao-Kuan","A hydrostable samarium(III)-MOF sensor for the sensitive and selective detection of tryptophan based on a ""dual antenna effect"".","Analytical methods : advancing methods and applications","2021","13","35","3994","4000","10.1039/d1ay01050f","","","0.71073","MoKα","","0.0198","0.017","","","0.0408","0.0418","","","","","","1.063","","","","has coordinates","269599","2021-10-06","13:26:48",""
"1564393","33.507","0.008","7.0694","0.0018","32.051","0.012","90","","120.434","0.004","90","","6546","3","123","0.1","123","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,7-Di-(4-methoxyphenyliminomethyl)-2-(3?,5?-di-tert-butyl-2?-hydroxyphenyl)benzimidazole","","- C37 H40 N4 O3 -","- C37 H40 N4 O3 -","- C296 H320 N32 O24 -","8","1","","Odella, Emmanuel; Secor, Maxim; Elliot, Mackenna; Groy, Thomas L.; Moore, Thomas A.; Hammes-Schiffer, Sharon; Moore, Ana L.","Multi PCET in Symmetrically Substituted Benzimidazoles","Chemical Science","2021","","","","","10.1039/D1SC03782J","","","0.71073","MoKα","","0.1239","0.0791","","","0.1517","0.1696","","","","","","1.069","","","","has coordinates","268185","2021-08-24","22:11:10",""
"1564394","16.842","0.004","16.624","0.004","17.544","0.004","90","","90","","90","","4912","2","150.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 F6 Ir N6 P3 -","- C54 H44 F6 Ir N6 P3 -","- C216 H176 F24 Ir4 N24 P12 -","4","1","","Yan, Juchao; Wilson, Reid W.; Buck, Jason T.; Grills, David C.; Reinheimer, Eric W.; Mani, Tomoyasu","IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions","Chemical Science","2021","","","","","10.1039/D1SC03455C","","","0.7107","MoKa","","","0.0343","","","","0.0587","","","","","","1.025","","","","has coordinates","268186","2021-08-24","22:11:50",""
"1564395","24.42","0.008","15.445","0.004","18.629","0.006","90","","137.769","0.004","90","","4722","3","123.2","","","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C90 H80 F12 Ir2 N6 O2 P6 -","- C90 H76 F12 Ir2 N6 O2 P6 -","- C180 H152 F24 Ir4 N12 O4 P12 -","2","0.5","","Yan, Juchao; Wilson, Reid W.; Buck, Jason T.; Grills, David C.; Reinheimer, Eric W.; Mani, Tomoyasu","IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions","Chemical Science","2021","","","","","10.1039/D1SC03455C","","","0.7107","MoKa","","","0.0474","","","","0.1177","","","","","","1.09","","","","has coordinates","268186","2021-08-24","22:11:51",""
"1564396","14.8354","0.001","5.8785","0.0004","18.7559","0.0012","90","","98.683","0.004","90","","1616.95","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H19 I2 N O3 -","- C11 H19 I2 N O3 -","- C44 H76 I8 N4 O12 -","4","1","","Fominova, Kateryna; Diachuk, Taras; Granat, Dmitry; Savchuk, Taras; Vilchynskyi, Vladyslav; Svitlychnyi, Oleksiy; Meliantsev, Vladyslav; Kovalchuk, Igor; Litskan, Eduard; Levterov, Vadym V.; Badlo, Valentyn R.; Vaskevych, Ruslan I.; Vaskevych, Alla I.; Bolbut, Andrii V.; Semeno, Volodymyr V.; Iminov, Rustam; Shvydenko, Kostiantyn; Kuznetsova, Anastasiia S.; Dmytriv, Yurii V.; Vysochyn, Daniil; Ripenko, Vasyl; Tolmachev, Andrei A.; Pavlova, Olexandra; Kuznietsova, Halyna; Pishel, Iryna; Borysko, Petro; Mykhailiuk, Pavel K.","Oxa-spirocycles: synthesis, properties and applications","Chemical Science","2021","","","","","10.1039/D1SC03615G","","","0.71073","MoKα","","0.0558","0.0393","","","0.0805","0.0878","","","","","","1.015","","","","has coordinates","268203","2021-08-25","22:10:30",""
"1564397","18.1145","0.0013","6.8754","0.0005","23.099","0.0017","90","","112.806","0.002","90","","2651.9","0.3","100","2","100","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C36 H24 Br2 -","- C36 H24 Br2 -","- C144 H96 Br8 -","4","1","","Song, Shaotang; Wang, Lulu; Su, Jie; Xu, Zhen; Hsu, Chia-Hsiu; Hua, Chenqiang; Lyu, Pin; Li, Jing; Peng, Xinnan; Kojima, Takahiro; Nobusue, Shunpei; Telychko, Mykola; Zheng, Yi; Chuang, Feng-Chuan; Sakaguchi, Hiroshi; Wong, Ming Wah; Lu, Jiong","Manifold dynamic non-covalent interactions for steering molecular assembly and cyclization","Chemical Science","2021","","","","","10.1039/D1SC03733A","","","0.71073","MoKα","","0.0623","0.0384","","","0.082","0.0929","","","","","","1.029","","","","has coordinates","268204","2021-08-25","22:10:55",""
"1564398","5.0832","0.0001","22.6617","0.0007","8.1122","0.0002","90","","103.254","0.0017","90","","909.59","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 N O -","- C21 H33 N O -","- C42 H66 N2 O2 -","2","1","","Wu, Xiao-Feng; Yuan, Yang; Zhao, Fengqian","Copper-Catalyzed Enantioselective Carbonylation Toward α-Chiral Secondary Amides","Chemical Science","2021","","","","","10.1039/D1SC04210F","","","1.54178","CuKα","","0.0346","0.0329","","","0.0831","0.0847","","","","","","1.043","","","","has coordinates","268205","2021-08-25","22:11:20",""
"1564399","13.9722","0.0007","17.5232","0.0008","19.1562","0.0009","94.993","0.004","108.44","0.004","91.696","0.004","4424.4","0.4","149.98","0.1","149.98","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 Br2 N S3 -","- C29 H37 Br2 N S3 -","- C174 H222 Br12 N6 S18 -","6","3","","Yuan, Xiyue; Zhao, Yunli; Zhan, Tao; Oh, Jiyeon; Zhou, Jiadong; Li, Junyu; Wang, Xiaojing; Wang, Zhiqiang; Pang, Shuting; Cai, Ping; Yang, Changduk; He, Zhicai; Xie, Zengqi; Duan, Chunhui; Huang, Fei; Cao, Yong","A donor polymer based on 3-cyanothiophene with superior batch-to-batch reproducibility for high-efficiency organic solar cells","Energy & Environmental Science","2021","14","10","5530","5540","10.1039/D1EE01957K","","x-ray","1.54184","CuKα","","0.1726","0.0857","","","0.2003","0.2572","","","","","","0.948","","","","has coordinates","270451","2021-11-06","20:10:12",""
"1564428","9.3839","0.0011","9.9442","0.0011","24.348","0.003","95.154","0.005","92.64","0.005","99.414","0.005","2228.1","0.5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","Na2Mn(THF)7[Fe2(CO)8]","Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 <i>Mn</i>—<i>Fe</i>)]","","- C36 H56 Fe2 Mn Na2 O15 -","- C36 H48 Fe2 Mn Na2 O15 -","- C72 H96 Fe4 Mn2 Na4 O30 -","2","1","TK4070","Harakas, George N.; Whittlesey, Bruce R.","Poly[octacarbonylheptakis(tetrahydrofuran)diironmanganesedisodium(2 Mn—Fe)]","IUCrData","2021","6","8","","","10.1107/S2414314621008452","","","0.71073","MoKa","","0.1121","0.0897","","","0.2031","0.2169","","","","","","1.121","","","","has coordinates,has Fobs","268279","2021-08-28","02:22:12",""
"1564455","19.3507","0.001","17.6402","0.001","31.0106","0.0017","90","","100.619","0.003","90","","10404.2","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H145 Ga2 K N6 O10 Sb2 -","- C89 H145 Ga2 K N6 O10 Sb2 -","- C356 H580 Ga8 K4 N24 O40 Sb8 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Haak, Julia; Cutsail III, George; Schulz, Stephan","Synthesis, Structure and Bonding Nature of Heavy Dipnictene Radical Anions","Chemical Science","2021","","","","","10.1039/D1SC04230K","","","0.71073","MoKα","","0.0772","0.0438","","","0.094","0.1102","","","","","","1.079","","","","has coordinates","268303","2021-08-30","22:22:56",""
"1564456","19.493","0.002","17.962","0.002","30.744","0.004","90","","101.573","0.005","90","","10546","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89 H143 Bi2 Ga2 K N6 O8 -","- C89 H143 Bi2 Ga2 K N6 O8 -","- C356 H572 Bi8 Ga8 K4 N24 O32 -","4","1","","Weinert, Hanns Micha; Wölper, Christoph; Haak, Julia; Cutsail III, George; Schulz, Stephan","Synthesis, Structure and Bonding Nature of Heavy Dipnictene Radical Anions","Chemical Science","2021","","","","","10.1039/D1SC04230K","","","0.71073","MoKα","","0.0838","0.0433","","","0.0851","0.0985","","","","","","1.023","","","","has coordinates,has disorder","268303","2021-08-30","22:22:57",""
"1564482","5.802","0.011","2.905","0.009","8.411","0.016","90","","90","","90","","141.8","0.6","","","298","","","","100","","","","","4","P m m a","-P 2a 2a","51","(Mg1.96Fe0.04)SiO4","","poirierite","- Fe0.04 Mg1.96 O4 Si -","- Fe0.04 Mg1.96 O4 Si -","- Fe0.08 Mg3.92 O8 Si2 -","2","0.25","","Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y.","Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites","Communications Earth and Environment","2021","2","","1","8","10.1038/s43247-020-00090-7","","","","","","","","","","","","","","","","","","","","","has coordinates","268324","2021-08-31","08:53:12",""
"1564489","34.60663","0.00019","29.36102","0.00018","41.9366","0.0004","90","","97.215","0.0007","90","","42273.8","0.5","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","H?MAC?PF6","","- C389 H414 Co8 F96 N74 O37 P16 -","- C356 H282 Co8 F96 N74 O4 P16 -","- C1424 H1128 Co32 F384 N296 O16 P64 -","4","0.5","","Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.","Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites","Chemical Science","2021","","","","","10.1039/D1SC04272F","","","0.6889","Synchrotron","","0.1472","0.1033","","","0.3303","0.367","","","","","","1.275","","","","has coordinates,has disorder","268332","2021-08-31","22:16:41",""
"1564490","61.6062","0.0005","61.6062","0.0005","38.3057","0.0004","90","","90","","120","","125905","2","100","","100","","","","","","","","","7","R -3 :H","-R 3","148","","H?CF3SO3","","- C372.49 H342.99 Co8 F48 N72 O68.49 S16 -","- C344.25 H261 Co8 F24.75 N72 O24.75 S8.25 -","- C4131 H3132 Co96 F297 N864 O297 S99 -","12","0.666667","","Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.","Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites","Chemical Science","2021","","","","","10.1039/D1SC04272F","","","0.6889","Synchrotron","","0.1845","0.1208","","","0.3476","0.4006","","","","","","1.306","","","","has coordinates,has disorder","268332","2021-08-31","22:16:42",""
"1564491","32.9277","0.0002","30.073","0.0002","40.767","0.0003","90","","95.576","0.001","90","","40177.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","H?MAC?I","","- C347 H276 Co8 I13.6 N73 O3 -","- C347 H276 Co8 I13.6 N73 O3 -","- C1388 H1104 Co32 I54.4 N292 O12 -","4","0.5","","Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.","Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites","Chemical Science","2021","","","","","10.1039/D1SC04272F","","x-ray","0.6889","synchrotron","","0.0885","0.0644","","","0.2022","0.2289","","","","","","1.079","","","","has coordinates,has disorder","268332","2021-08-31","22:16:42",""
"1564492","32.7342","0.0004","29.9459","0.0004","40.259","0.0007","90","","95.7","0.001","90","","39269","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","H?MAC?NO3","","- C375 H379.9 B3 Co8 F12 N86.1 O69.2 -","- C349.7 H276 B2.3 Co8 F9.2 N82.8 O34 -","- C1398.8 H1104 B9.2 Co32 F36.8 N331.2 O136 -","4","0.5","","Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.","Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites","Chemical Science","2021","","","","","10.1039/D1SC04272F","","x-ray","0.6889","synchrotron","","0.1267","0.0943","","","0.3056","0.3364","","","","","","1.166","","","","has coordinates,has disorder","268332","2021-08-31","22:16:42",""
"1564493","33.143","0.0005","29.6976","0.0005","39.3556","0.0008","90","","96.4465","0.0017","90","","38491.5","1.2","100","","100","","","","","","","","slow cooling from solvothermal synthesis","8","C 1 2/c 1","-C 2yc","15","","H?MAC?SO4","","- C379 H405 B Co8 F4 N73 O65 S7.5 -","- C347 H277 B Co8 F4 N73 O17 S3.5 -","- C1388 H1108 B4 Co32 F16 N292 O68 S14 -","4","0.5","","Ludden, Michael D.; Taylor, Christopher G. P.; Ward, Michael D.","Orthogonal binding and displacement of different guest types using a coordination cage host with cavity-based and surface-based binding sites","Chemical Science","2021","","","","","10.1039/D1SC04272F","","x-ray","0.6889","synchrotron","","0.1462","0.1076","","","0.3437","0.3732","","","","","","1.233","","","","has coordinates,has disorder","268332","2021-08-31","22:16:42",""
"1564494","9.3272","0.0003","10.7693","0.0003","12.3819","0.0003","90","","108.361","0.003","90","","1180.41","0.06","225","50","225","50","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min","Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs)","Chemical Science","2021","","","","","10.1039/D1SC03569J","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.0951","0.0991","","","","","","1.035","","","","has coordinates,has disorder","268333","2021-08-31","22:18:48",""
"1564495","11.5489","0.0003","13.5596","0.0005","18.1117","0.0006","70.689","0.003","89.007","0.002","77.468","0.002","2608.35","0.16","149.99","0.1","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C61 H59 Cl2 N O2 P2 Pd S -","- C61 H59 Cl2 N O2 P2 Pd S -","- C122 H118 Cl4 N2 O4 P4 Pd2 S2 -","2","1","","An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min","Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs)","Chemical Science","2021","","","","","10.1039/D1SC03569J","","x-ray","1.54184","CuKα","","0.0523","0.0415","","","0.096","0.1002","","","","","","1.032","","","","has coordinates,has disorder","268333","2021-08-31","22:18:51",""
"1564496","11.0067","0.0003","9.2663","0.0002","24.1638","0.0008","90","","99.36","0.003","90","","2431.69","0.12","293.77","0.1","293.77","0.1","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C25 H35 N O5 -","- C25 H35 N O5 -","- C100 H140 N4 O20 -","4","1","","An, Yang; Zhang, Bo-Sheng; Ding, Ya-Nan; Zhang, Zhe; Gou, Xue-Ya; Li, Xue-Song; Wang, Xiaolei; Li, Yuke; Liang, Yong-Min","Palladium Catalyzed C-H Glycosylation and Retro Diels-Alder Tandem Reaction via Structurally Modified Norbornadiene (smNBDs)","Chemical Science","2021","","","","","10.1039/D1SC03569J","","x-ray","1.54184","CuKα","","0.0478","0.0426","","","0.1053","0.1115","","","","","","1.056","","","","has coordinates,has disorder","268333","2021-08-31","22:18:51",""
"1564497","9.9071","0.0004","12.7019","0.0005","14.1556","0.0006","90","","92.824","0.002","90","","1779.16","0.13","20","2","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Cl2 Co N4 S2 -","- C10 H24 Cl2 Co N4 S2 -","- C40 H96 Cl8 Co4 N16 S8 -","4","1","","Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob","Quantifying magnetic anisotropy using X-ray and neutron diffraction","IUCrJ","2021","8","5","","","10.1107/S2052252521008290","","","0.2486","synchrotron","","0.07","0.014","","","","0.031","","","","","","1.021","","","","has coordinates","268341","2021-09-01","02:08:36",""
"1564498","9.798","0.004","12.961","0.008","14.636","0.006","90","","92.363","0.008","90","","1857.1","1.6","20","2","20","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H24 Br2 Co N4 S2 -","- C10 H24 Br2 Co N4 S2 -","- C40 H96 Br8 Co4 N16 S8 -","4","1","","Klahn, Emil Andreasen; Damgaard-Møller, Emil; Krause, Lennard; Kibalin, Iurii; Gukasov, Arsen; Tripathi, Shalini; Swain, Abinash; Shanmugam, Maheswaran; Overgaard, Jacob","Quantifying magnetic anisotropy using X-ray and neutron diffraction","IUCrJ","2021","8","5","","","10.1107/S2052252521008290","","","0.2486","synchrotron","","0.056","0.014","","","","0.029","","","","","","0.993","","","","has coordinates","268341","2021-09-01","02:08:40",""
"1564511","3.92005","0.000019","18.56291","0.00005","16.40883","0.00005","90","","93.655","0.006","90","","1191.6","0.011","293","","293","","","","","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.2379","0.1525","","0.0829","0.0718","0.0829","","","","","","0.9062","","","","has coordinates","268355","2021-09-01","22:15:27",""
"1564512","3.76738","0.000017","18.14088","0.00005","16.22092","0.00005","90","","91.918","0.005","90","","1107.97","0.008","293","","293","","","","620000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1839","0.1117","","0.0626","0.0577","0.0626","","","","","","1.0629","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564513","3.68945","0.00002","17.85212","0.00005","16.13731","0.00005","90","","90.452","0.006","90","","1062.84","0.007","293","","293","","","","1370000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1668","0.1187","","0.0875","0.0796","0.0875","","","","","","0.9868","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564514","3.6312","0.000017","17.6886","0.00004","16.0261","0.00005","90","","89.648","0.005","90","","1029.35","0.006","293","","293","","","","1910000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1401","0.1038","","0.0407","0.0384","0.0407","","","","","","1.0777","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564515","3.94747","0.00002","18.67316","0.00006","16.33187","0.00006","90","","93.736","0.007","90","","1201.29","0.013","293","","293","","","","","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1854","0.1251","","0.0358","0.0325","0.0358","","","","","","0.9591","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564516","3.4969","0.00002","17.2991","0.00006","15.7788","0.00006","90","","88.037","0.007","90","","953.95","0.008","293","","293","","","","4180000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1211","0.0799","","0.0617","0.0585","0.0617","","","","","","1.1493","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564517","3.5964","0.00002","17.6038","0.00006","15.9534","0.00006","90","","89.358","0.007","90","","1009.95","0.008","293","","293","","","","2410000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1507","0.1045","","0.047","0.0435","0.047","","","","","","1.0101","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564518","3.5652","0.000017","17.4366","0.00005","15.9773","0.00005","90","","88.803","0.006","90","","993.012","0.007","293","","293","","","","3000000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1234","0.0885","","0.0481","0.0448","0.0481","","","","","","1.0701","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564519","3.524","0.00002","17.3879","0.00007","15.8184","0.00007","90","","88.361","0.008","90","","968.875","0.009","293","","293","","","","3530000","","","","TCI Chemicals","5","P 1 21/c 1","-P 2ybc","14","ROY","5-methyl-2[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","- C12 H9 N3 O2 S -","- C12 H9 N3 O2 S -","- C48 H36 N12 O8 S4 -","4","1","","Warren, Lisette R.; McGowan, Evana; Renton, Margaret; Morrison, Carole; Funnell, Nicholas P.","Direct evidence for distinct colour origins in ROY polymorphs","Chemical Science","2021","","","","","10.1039/D1SC04051K","","","0.71073","MoKα","","0.1378","0.0799","","0.0598","0.0553","0.0598","","","","","","1.0826","","","","has coordinates","268355","2021-09-01","22:15:28",""
"1564520","7.4152","0.0007","28.237","0.004","8.6124","0.0009","90","","102.204","0.004","90","","1762.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 B10 S -","- C14 H20 B10 S -","- C56 H80 B40 S4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0337","0.0298","","","0.078","0.0813","","","","","","1.061","","","","has coordinates","268356","2021-09-01","22:18:45",""
"1564521","6.5577","0.0011","27.779","0.005","10.1198","0.001","90","","100.877","0.005","90","","1810.4","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 B10 F S -","- C14 H19 B10 F S -","- C56 H76 B40 F4 S4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0328","0.0289","","","0.0773","0.0806","","","","","","1.0881","","","","has coordinates,has disorder","268356","2021-09-01","22:18:45",""
"1564522","14.2524","0.0016","12.5432","0.0012","14.6594","0.0017","90","","95.765","0.004","90","","2607.4","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 B10 N S -","- C26 H27 B10 N S -","- C104 H108 B40 N4 S4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0456","0.0429","","","0.1142","0.1167","","","","","","1.0666","","","","has coordinates","268356","2021-09-01","22:18:45",""
"1564523","7.6595","0.0009","28.316","0.004","8.5737","0.0012","90","","103.115","0.003","90","","1811","0.4","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 B10 Se -","- C14 H20 B10 Se -","- C56 H80 B40 Se4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0291","0.0229","","","0.0502","0.0528","","","","","","1.074","","","","has coordinates","268356","2021-09-01","22:18:46",""
"1564524","23.8557","0.0017","12.6391","0.0011","6.8918","0.0006","90","","90","","90","","2078","0.3","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H24 B10 S -","- C19 H24 B10 S -","- C76 H96 B40 S4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0262","0.0254","","","0.0696","0.0703","","","","","","1.095","","","","has coordinates","268356","2021-09-01","22:18:46",""
"1564525","7.028","0.0005","18.2663","0.0011","15.1077","0.0011","90","","99.556","0.002","90","","1912.5","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 B10 O S -","- C15 H22 B10 O S -","- C60 H88 B40 O4 S4 -","4","1","","Yang, Long; Jei, Becky Bongsuiru; Scheremetjew, Alexej; Yuan, Binbin; Stückl, A Claudia; Ackermann, Lutz","Electrooxidative o-Carborane Chalcogenations Without Directing Groups: Cage Activation by Copper Catalysis at Room Temperature","Chemical Science","2021","","","","","10.1039/D1SC02905C","","","0.71073","MoKα","","0.0304","0.0282","","","0.0789","0.0814","","","","","","1.0416","","","","has coordinates","268356","2021-09-01","22:18:46",""
"1564526","19.437","0.002","15.0322","0.0018","20.796","0.002","90","","91.599","0.003","90","","6073.8","1.1","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H100 Al N3 O4 P -","- C60 H100 Al N3 O4 P -","- C240 H400 Al4 N12 O16 P4 -","4","1","","Bai, Yun; Wang, Huaiyu; He, Jianghua; Zhang, Yuetao","Living polymerization of naturally renewable butyrolactone-based vinylidenes mediated by a frustrated Lewis pair","Polymer Chemistry","2021","12","38","5548","5555","10.1039/D1PY00924A","","","0.71073","MoKα","","0.2091","0.0794","","","0.169","0.2213","","","","","","0.946","","","","has coordinates,has disorder","270518","2021-11-06","20:49:11",""
"1564529","7.4094","0.0002","9.2008","0.0002","14.0802","0.0003","90","","94.27","0.001","90","","957.22","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(amino(dimethylamino)methylene)-N-methylmethanaminiumhydrogen carbonate","","- C6 H15 N3 O3 -","- C6 H15 N3 O3 -","- C24 H60 N12 O12 -","4","1","","Mannisto, Jere K.; Pavlovic, Ljiljana; Tiainen, Tony; Nieger, Martin; Sahari, Aleksi; Hopmann, Kathrin H.; Repo, Timo","Mechanistic insights into carbamate formation from CO2 and amines: the role of guanidine–CO2 adducts","Catalysis Science & Technology","2021","11","20","6877","6886","10.1039/D1CY01433A","","","1.54178","CuKα","","0.0332","0.0308","","","0.0783","0.0799","","","","","","1.037","","","","has coordinates","270343","2021-11-06","18:30:11",""
"1564530","23.7717","0.0008","23.7717","0.0008","14.8492","0.0006","90","","90","","90","","8391.2","0.5","298","","298","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C40 H59 N O5 -","- C40 H59 N O5 -","- C320 H472 N8 O40 -","8","1","","Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun","Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5<sup>H88Y</sup> Mutant Mice.","Journal of medicinal chemistry","2021","64","16","12181","12199","10.1021/acs.jmedchem.1c00851","","","1.54178","CuKα","","0.0487","0.0435","","","0.1332","0.1384","","","","","","1.068","","","","has coordinates","268451","2021-09-04","00:13:32",""
"1564531","8.8662","0.0004","10.0457","0.0005","12.0334","0.0007","84.282","0.002","68.413","0.001","89.829","0.001","990.99","0.09","154","2","154","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C42 H56 O12 -","2","2","","Cao, Yunfang; Tan, Xiaosheng; Al Chnani, Ali Adhab; Li, Pengkun; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Xia, Qiangbing; Yang, Xi; Duan, Yulin; Guo, Yi; Chen, Gang; Qi, Changxing; Zhang, Yonghui","Bioassay-Guided Isolation of an Abetiane-Type Diterpenoid from <i>Prunella vulgaris</i> That Protects against Concanavalin A-Induced Autoimmune Hepatitis.","Journal of natural products","2021","84","8","2189","2199","10.1021/acs.jnatprod.1c00247","","","1.54178","CuKα","","0.0363","0.0354","","","0.1036","0.1055","","","","","","0.923","","","","has coordinates","268452","2021-09-04","00:17:57",""
"1564532","9.2386","0.0002","11.0791","0.0002","26.7495","0.0006","90","","90","","90","","2737.96","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 O10 -","- C29 H39 O10 -","- C116 H156 O40 -","4","1","","He, Juan; Ma, Rui; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Taccachatrones A-G, Highly Oxidized Steroids from the Rhizomes of <i>Tacca chantrierii</i> and Their Cytotoxicity Assessment.","Journal of natural products","2021","84","8","2265","2271","10.1021/acs.jnatprod.1c00342","","","1.54178","CuKα","","0.0417","0.0385","","","0.0943","0.0972","","","","","","1.062","","","","has coordinates","268453","2021-09-04","00:18:20",""
"1564533","13.7785","0.0006","9.1111","0.0004","23.6073","0.0009","90","","96.807","0.002","90","","2942.7","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","2","","He, Juan; Ma, Rui; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Taccachatrones A-G, Highly Oxidized Steroids from the Rhizomes of <i>Tacca chantrierii</i> and Their Cytotoxicity Assessment.","Journal of natural products","2021","84","8","2265","2271","10.1021/acs.jnatprod.1c00342","","","1.54178","","","0.0913","0.0672","","","0.176","0.1989","","","","","","1.035","","","","has coordinates","268454","2021-09-04","00:18:42",""
"1564534","6.86876","0.00005","11.85008","0.00007","21.0751","0.0001","90","","98.179","0.0005","90","","1697.97","0.018","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(1R,2S,3R)-3-chloro-2,6,7-trihydroxy-1-methoxy-3-methyl-2,3-dihydro-1H-benzo[a]fluorene-4,11-dione","","- C19 H17 Cl O7 -","- C19 H17 Cl O7 -","- C76 H68 Cl4 O28 -","4","2","","Huang, Chunshuai; Yang, Chunfang; Zhang, Wenjun; Zhang, Liping; Zhu, Yiguang; Zhang, Changsheng","Discovery of an Unexpected 1,4-Oxazepine-Linked <i>seco</i>-Fluostatin Heterodimer by Inactivation of the Oxidoreductase-Encoding Gene <i>flsP</i>.","Journal of natural products","2021","84","8","2336","2344","10.1021/acs.jnatprod.1c00461","","x-ray","1.54184","CuKα","","0.028","0.0278","","","0.075","0.0752","","","","","","1.053","","","","has coordinates","268455","2021-09-04","00:19:04",""
"1564535","8.0539","0.0001","15.7616","0.0003","26.6941","0.0005","90","","90","","90","","3388.61","0.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O15 -","- C35 H48 O15 -","- C140 H192 O60 -","4","1","","Sun, Yunpeng; Li, Qiurong; Sun, Yujin; Cui, Letian; Wang, Yingying; Li, Yongyi; Luo, Jun; Kong, Lingyi","Limonoids with Diverse Oxidation Patterns of C-12 Indicating a Complete Ring C-<i>seco</i> Biogenetic Pathway from <i>Munronia unifoliolata</i>.","Journal of natural products","2021","84","8","2352","2365","10.1021/acs.jnatprod.1c00519","","","1.54178","CuKα","","0.0349","0.0321","","","0.0787","0.0809","","","","","","1.031","","","","has coordinates","268456","2021-09-04","00:19:33",""
"1564536","7.29534","0.00006","25.43886","0.00017","9.04309","0.00006","90","","91.8695","0.0006","90","","1677.37","0.02","300","0.1","300","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl2 Rh2 -","- C16 H24 Cl2 Rh2 -","- C64 H96 Cl8 Rh8 -","4","1","","Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna","Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.","The journal of physical chemistry. A","2021","125","34","7473","7488","10.1021/acs.jpca.1c05759","","x-ray","0.6889","synchrotron","","0.0486","0.0457","","","0.1435","0.1487","","","","","","1.1737","","","","has coordinates","268459","2021-09-04","01:10:10",""
"1564537","15.18382","0.00011","13.64566","0.00009","16.30646","0.0001","90","","90","","90","","3378.59","0.04","300","0.1","300","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cl2 Ir2 -","- C16 H24 Cl2 Ir2 -","- C128 H192 Cl16 Ir16 -","8","1","","Fernando, Nathalie K.; Cairns, Andrew B.; Murray, Claire A.; Thompson, Amber L.; Dickerson, Joshua L.; Garman, Elspeth F.; Ahmed, Nayera; Ratcliff, Laura E.; Regoutz, Anna","Structural and Electronic Effects of X-ray Irradiation on Prototypical [M(COD)Cl]<sub>2</sub> Catalysts.","The journal of physical chemistry. A","2021","125","34","7473","7488","10.1021/acs.jpca.1c05759","","x-ray","0.6889","synchrotron","","0.0235","0.0211","","","0.0661","0.0682","","","","","","0.9526","","","","has coordinates","268460","2021-09-04","01:10:41",""
"1564538","24.6363","0.0015","16.8157","0.0008","10.0197","0.0004","90","","90","","90","","4150.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","'2-[(2-azaniumyl-3-phenylpropanoyl)amino]-3-phenylpropanoate propan-1-ol solvate'","","- C19.8 H24.8 N2 O3.6 -","- C19.8 H24.8 N2 O3.6 -","- C158.4 H198.4 N16 O28.8 -","8","2","","Chaker, Ziyad; Chervy, Pierre; Boulard, Yves; Bressanelli, Stéphane; Retailleau, Pascal; Paternostre, Maité; Charpentier, Thibault","Systematic Method for the Exploration, Representation, and Classification of the Diphenylalanine Solvatomorphic Space.","The journal of physical chemistry. B","2021","125","33","9454","9466","10.1021/acs.jpcb.1c04203","","x-ray","0.71073","MoKα","","0.11","0.0854","","","0.239","0.266","","","","","","1.03","","","","has coordinates","268461","2021-09-04","01:21:22",""
"1564539","14.806","0.0007","15.4949","0.0007","17.248","0.0008","111.348","0.001","112.174","0.001","95.359","0.001","3288.5","0.3","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","4","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","0.71073","MoKα","","0.0501","0.0411","","","0.101","0.1073","","","","","","1.014","","","","has coordinates,has disorder","269791","2021-10-06","16:23:04",""
"1564540","19.8231","0.0007","7.5996","0.0002","24.2836","0.0008","90","","112.008","0.004","90","","3391.7","0.2","150","0.1","150","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H53 N O2 -","- C40 H53 N O2 -","- C160 H212 N4 O8 -","4","1","","Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong","Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.","Materials horizons","2021","8","10","2816","2822","10.1039/d1mh00956g","","x-ray","1.54184","CuKα","","0.0768","0.0727","","","0.2107","0.2171","","","","","","1.085","","","","has coordinates","269791","2021-10-06","16:23:05",""
"1564541","21.253","0.003","16.63","0.002","29.508","0.004","90","","93.147","0.002","90","","10414","2","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93 H104 Mn6 N20 O37.5 -","- C93 H100 Mn6 N20 O37.5 -","- C372 H400 Mn24 N80 O150 -","4","0.5","","MIKURIYA, Masahiro; ONO, Sayuri; KOYAMA, Yoshiki; MITSUHASHI, Ryoji; TSUBOI, Motohiro","Crystal Structure of a Mixed-valent Hexanuclear Manganese Complex Made-up from Two Oxido-centered Triangular Mn<sup>II</sup>Mn<sup>III</sup><sub>2</sub> Cores","X-ray Structure Analysis Online","2021","37","0","41","43","10.2116/xraystruct.37.41","","","0.71073","MoKα","","0.1742","0.0836","","","0.2008","0.25","","","","","","1.024","","","","has coordinates,has disorder","268970","2021-09-06","12:50:23",""
"1564542","11.2532","0.0013","11.6634","0.0013","12.3118","0.0014","65.354","0.002","65.025","0.002","72.661","0.002","1316.7","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 Cu2 N2 O24 -","- C48 H66 Cu2 N2 O24 -","- C48 H66 Cu2 N2 O24 -","1","0.5","","MIKURIYA, Masahiro; YAMAKAWA, Chihiro; TANABE, Kensuke; NUKITA, Raigo; YOSHIOKA, Daisuke; MITSUHASHI, Ryoji; TANAKA, Hidekazu; HANDA, Makoto; TSUBOI, Motohiro","Preparation and Crystal Structure of Tetrakis(μ-2,4,5-trimethoxybenzoato-κ<i>O</i>:κ<i>O</i>′)bis[(methanol)copper(II)]-<i>N,N</i>-dimethylformamide (1/2) in Relation to Adsorption Property for N<sub>2</sub>","X-ray Structure Analysis Online","2021","37","0","35","37","10.2116/xraystruct.37.35","","","0.71073","MoKα","","0.038","0.0328","","","0.0822","0.0846","","","","","","1.064","","","","has coordinates","268971","2021-09-06","12:50:47",""
"1564543","38.858","0.003","10.851","0.001","27.666","0.002","90","","109.07","0.01","90","","11025.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H47 Cl4 P3 Pt -","- C55 H47 Cl4 P3 Pt -","- C440 H376 Cl32 P24 Pt8 -","8","1","","PETZ, Wolfgang; NEUMÜLLER, Bernhard","Crystal Structure of [Dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat]","X-ray Structure Analysis Online","2021","37","0","33","34","10.2116/xraystruct.37.33","","","0.71073","MoKα","","0.2203","0.0771","","","0.1403","0.1732","","","","","","0.632","","","","has coordinates","268972","2021-09-06","12:51:11",""
"1564544","11.0579","0.001","11.1695","0.001","9.0504","0.0009","90","","90","","90","","1117.83","0.18","296","","296","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H4 B K O12 -","- C4 H4 B K O12 -","- C16 H16 B4 K4 O48 -","4","0.5","","TOMBUL, Mustafa; TÜRKMENOGLU, Elmas; SAHIN, Onur","Unprecedented Formation of Potassium Borate Based Carbonate from Chloral Hydrate, Potassium Carbonate and Boric Acid","X-ray Structure Analysis Online","2021","37","0","45","47","10.2116/xraystruct.37.45","","","0.71073","MoKα","","0.0598","0.0577","","","0.1672","0.1686","","","","","","1.062","","","","has coordinates","268973","2021-09-06","12:51:36",""
"1564545","10.8226","0.0001","10.9399","0.0002","17.3389","0.0003","79.412","0.001","78.905","0.001","86.861","0.001","1979.82","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N3 O7 V -","- C19 H24 N3 O7 V -","- C76 H96 N12 O28 V4 -","4","2","","Sahu, Gurunath; Tiekink, Edward R. T.; Dinda, Rupam","Study of DNA Interaction and Cytotoxicity Activity of Oxidovanadium(V) Complexes with ONO Donor Schiff Base Ligands","Inorganics","2021","9","9","66","","10.3390/inorganics9090066","","","1.54184","CuKα","","0.0257","0.0254","","","0.0718","0.0721","","","","","","1.061","","","","has coordinates","268974","2021-09-06","21:32:28",""
"1564546","11.77236","0.00017","34.8563","0.0007","16.6545","0.0003","90","","96.0925","0.0016","90","","6795.4","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","matsc01","","- C47 H117 N2 O19 Si V6 -","- C47 H117 N2 O19 Si V6 -","- C188 H468 N8 O76 Si4 V24 -","4","1","","Chakraborty, Sourav; Schreiber, Eric; Sanchez-Lievanos, Karla R.; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.; Matson, Ellen M.","Modelling local structural and electronic consequences of proton and hydrogen-atom uptake in VO2 with polyoxovanadate clusters","Chemical Science","2021","","","","","10.1039/D1SC02809J","","x-ray","1.54184","CuKα","","0.1125","0.084","","","0.2377","0.265","","","","","","1.06","","","","has coordinates,has disorder","268977","2021-09-06","22:12:05",""
"1564547","18.6012","0.0003","18.278","0.0003","29.0427","0.0006","90","","90","","90","","9874.3","0.3","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H81 N O19 Si V6 -","- C31 H81 N O19 Si V6 -","- C248 H648 N8 O152 Si8 V48 -","8","1","","Chakraborty, Sourav; Schreiber, Eric; Sanchez-Lievanos, Karla R.; Tariq, Mehrin; Brennessel, William W.; Knowles, Kathryn E.; Matson, Ellen M.","Modelling local structural and electronic consequences of proton and hydrogen-atom uptake in VO2 with polyoxovanadate clusters","Chemical Science","2021","","","","","10.1039/D1SC02809J","","x-ray","1.54184","CuKα","","0.0822","0.0619","","","0.1761","0.2044","","","","","","1.094","","","","has coordinates,has disorder","268977","2021-09-06","22:12:06",""
"1564549","9.1794","0.0018","9.4642","0.0019","11.665","0.002","101.78","0.03","107.81","0.03","93.57","0.03","936","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate","","- C19 H23 N3 O S2 -","- C19 H23 N3 O S2 -","- C38 H46 N6 O2 S4 -","2","1","HB4387","Guo, Hui; Du, Wenli; Zhou, Haoyu","(E)-Benzyl 2-{4-[ethyl(2-hydroxyethyl)amino]benzylidene}hydrazinecarbodithioate","IUCrData","2021","6","9","","","10.1107/S2414314621009019","","","0.71073","MoKα","","0.0564","0.0388","","","0.0905","0.0968","","","","","","0.921","","","","has coordinates,has Fobs","268994","2021-09-07","02:27:36",""
"1564550","9.1724","0.0014","17.714","0.004","4.444","0.0009","90","","90","","90","","722.1","0.2","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C7 H6 Cl2 -","- C7 H6 Cl2 -","- C28 H24 Cl8 -","4","1","","Aitken, R. Alan; Slawin, Alexandra M. Z.","4-Chlorobenzyl Chloride","Molbank","2021","2021","3","M1265","","10.3390/M1265","","","0.71073","MoKα","","0.1195","0.0734","","","0.1874","0.2261","","","","","","0.983","","","","has coordinates","268995","2021-09-07","03:32:23",""
"1564595","20.0197","0.0006","20.0197","0.0006","38.877","0.003","90","","90","","120","","13493.9","1.2","293","2","293","2","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- C252 H294 Cu20 O37 -","- C252 H294 Cu20 O37 -","- C504 H588 Cu40 O74 -","2","0.166667","","Cao, Yun-Dong; Hao, Hui-Ping; Liu, Huashi; Yin, Di; Wang, Mingliang; Gao, Guanggang; Fan, Lin-Lin; Liu, Hong","A 20-core copper(I) nanocluster as electron-hole recombination inhabitor on TiO2 nanosheet for enhancing photocatalytic H2 evolution","Nanoscale","2021","","","","","10.1039/D1NR04683G","","x-ray","0.71","MoKa","","0.1329","0.0678","","","0.1514","0.1693","","","","","","0.909","","","","has coordinates,has disorder","269054","2021-09-09","00:02:49",""
"1564596","10.5548","0.0004","27.6947","0.0009","10.8041","0.0004","90","","101.966","0.004","90","","3089.5","0.2","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 N5 O7 S -","- C35 H25 N5 O7 S -","- C140 H100 N20 O28 S4 -","4","2","","Yin, Xue-Song; Qi, Wei-Yi; Shi, Bing-Feng","Synthesis of Tryptophan-containing 2,5-Diketopiperazines via Sequential C‒H Activation: Total Syntheses of Tryprostatin A, Maremycins A and B","Chemical Science","2021","","","","","10.1039/D1SC02343H","","","1.54184","CuKα","","0.0765","0.0692","","","0.1685","0.1795","","","","","","1.031","","","","has coordinates","269065","2021-09-09","22:14:26",""
"1564597","9.8761","0.0002","49.9783","0.001","12.573","0.0003","90","","113.061","0.001","90","","5710","0.2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H81 Cl N6 O6 -","- C55 H81 Cl N6 O6 -","- C220 H324 Cl4 N24 O24 -","4","2","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","1.54178","CuKα","","0.0866","0.0814","","","0.2179","0.2251","","","","","","1.018","","","","has coordinates,has disorder","269067","2021-09-09","22:16:05",""
"1564598","9.9529","0.0003","49.9513","0.0016","12.3951","0.0003","90","","113.525","0.001","90","","5650.2","0.3","120.04","","120.04","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C224 H329.95 Cl5 N24 O24 -","- C224 H329.948 Cl5 N24 O24 -","- C224 H329.948 Cl5 N24 O24 -","1","0.5","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","0.71073","MoKα","","0.126","0.0944","","","0.2466","0.2798","","","","","","1.051","","","","has coordinates,has disorder","269067","2021-09-09","22:16:09",""
"1564599","34.933","0.002","11.774","0.0006","22.6543","0.0013","90","","114.401","0.003","90","","8485.4","0.8","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47.5 H59.5 Cl0.5 N6 -","- C47.5 H59.5 Cl0.5 N6 -","- C380 H476 Cl4 N48 -","8","2","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","0.71073","MoKα","","0.1702","0.0865","","","0.2155","0.2764","","","","","","1.017","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1564600","17.8982","0.0005","41.8156","0.0012","5.6166","0.0002","90","","90","","90","","4203.6","0.2","120","2","120","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C47 H64.5 Cl0.5 N6 -","- C47 H64.5 Cl0.5 N6 -","- C188 H258 Cl2 N24 -","4","1","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","1.54178","CuKα","","0.0678","0.0616","","","0.1566","0.1612","","","","","","1.091","","","","has coordinates,has disorder","269067","2021-09-09","22:16:20",""
"1564601","10.9057","0.0015","14.2504","0.0017","16.844","0.002","107.383","0.007","104.681","0.008","104.35","0.007","2263.3","0.5","120","","120","","","","","","","","","4","P 1","P 1","1","","","","- C49 H69 Cl N6 -","- C49 H69 Cl N6 -","- C98 H138 Cl2 N12 -","2","2","","Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.","Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations","Chemical Science","2021","","","","","10.1039/D1SC03509F","","","0.71073","MoKα","","0.0528","0.0496","","","0.1379","0.1423","","","","","","1.028","","","","has coordinates,has disorder","269067","2021-09-09","22:16:21",""
"1564602","14.4373","0.0019","17.215","0.002","9.3631","0.0012","90","","90","","90","","2327.1","0.5","100","","100","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C30 H62 I4 O9 U2 -","- C31 H54 I4 O9 U2 -","- C62 H108 I8 O18 U4 -","2","0.25","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Meulenberg, Robert W.; Miro Ramirez, Pere; Metta-Magana, Alejandro J Jose; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: Ion pairing effects on the electronic structure of unsupported uranium-arenide sandwich complexes","Chemical Science","2021","","","","","10.1039/D1SC03275E","","x-ray","0.71073","MoKα","","0.0442","0.0332","","","0.0747","0.0781","","","","","","1.211","","","","has coordinates,has disorder","269068","2021-09-09","22:17:44",""
"1564603","13.7462","0.0004","21.7085","0.0006","13.7497","0.0004","90","","114.522","0.001","90","","3732.95","0.19","100","","99.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 K O4 U -","- C41 H35 K O4 U -","- C164 H140 K4 O16 U4 -","4","1","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Meulenberg, Robert W.; Miro Ramirez, Pere; Metta-Magana, Alejandro J Jose; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: Ion pairing effects on the electronic structure of unsupported uranium-arenide sandwich complexes","Chemical Science","2021","","","","","10.1039/D1SC03275E","","x-ray","0.71073","MoKα","","0.1093","0.0911","","","0.1879","0.1962","","","","","","1.383","","","","has coordinates,has disorder","269068","2021-09-09","22:17:45",""
"1564604","10.3767","0.0003","17.8147","0.0005","18.3562","0.0006","67.675","0.002","89.666","0.002","86.887","0.002","3133.91","0.17","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C114 H158 K2 O22 U2 -","- C114 H140 K2 O22 U2 -","- C114 H140 K2 O22 U2 -","1","0.5","","Murillo, Jesse; Bhowmick, Rina; Harriman, Katie L. M.; Gomez-Torres, Alejandra; Wright, Joshua; Meulenberg, Robert W.; Miro Ramirez, Pere; Metta-Magana, Alejandro J Jose; Murugesu, Muralee; Vlaisavljevich, Bess; Fortier, Skye","Actinide arene-metalates: Ion pairing effects on the electronic structure of unsupported uranium-arenide sandwich complexes","Chemical Science","2021","","","","","10.1039/D1SC03275E","","x-ray","0.71073","MoKα","","0.0867","0.0496","","","0.1146","0.1291","","","","","","1.119","","","","has coordinates,has disorder","269068","2021-09-09","22:17:45",""
"1564605","11.1342","0.0006","7.895","0.0004","13.9106","0.0007","90","","96.953","0.002","90","","1213.81","0.11","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 Br4 Cd N2 -","- C18 H28 Br4 Cd N2 -","- C36 H56 Br8 Cd2 N4 -","2","1","","Li, Yu-Kong; Lai, Yuan Yuan; Ying, Ting-Ting; Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Du, Peng-Kang; Zhang, Hao","Multifunctional molecular ferroelectric with Chiral feature, High Curie Temperature, Large Spontaneous Polarization and Photoluminescence: (C9H14N)2CdBr4","Chemical Science","2021","","","","","10.1039/D1SC03964D","","","0.71073","MoKα","","0.077","0.0499","","","0.0807","0.0898","","","","","","1.095","","","","has coordinates","269069","2021-09-09","22:18:30",""
"1564606","11.2525","0.0005","7.9861","0.0003","13.9703","0.0006","90","","97.514","0.004","90","","1244.64","0.09","373","","373","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H28 Br4 Cd N2 -","- C18 H28 Br4 Cd N2 -","- C36 H56 Br8 Cd2 N4 -","2","1","","Li, Yu-Kong; Lai, Yuan Yuan; Ying, Ting-Ting; Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Du, Peng-Kang; Zhang, Hao","Multifunctional molecular ferroelectric with Chiral feature, High Curie Temperature, Large Spontaneous Polarization and Photoluminescence: (C9H14N)2CdBr4","Chemical Science","2021","","","","","10.1039/D1SC03964D","","x-ray","0.71073","MoKα","","0.0744","0.0402","","","0.0765","0.0843","","","","","","1.006","","","","has coordinates,has disorder","269069","2021-09-09","22:18:31",""
"1564607","14.4507","0.0007","18.2789","0.0007","22.7894","0.001","90","","97.46","0.002","90","","5968.7","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DES7-21","","","- C63 H75 B N8 O4 Zn -","- C63 H75 B N8 O4 Zn -","- C252 H300 B4 N32 O16 Zn4 -","4","1","","Kirk, Martin; Shultz, David; Hewitt, Patrick; Stasiw, Daniel; Chen, Ju; van der Est, Art","Chromophore-Radical Excited State Antiferromagnetic Exchange Controls the Sign of Photoinduced Ground State Spin Polarization","Chemical Science","2021","","","","","10.1039/D1SC02965G","","","0.71073","MoKα","","0.1059","0.0866","","","0.1891","0.2017","","","","","","1.121","","","","has coordinates,has disorder","269070","2021-09-09","22:18:57",""
"1564608","10.859","0.0002","11.9981","0.0002","16.6267","0.0002","76.377","0.001","89.763","0.001","76.25","0.001","2041.88","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C108 H88 N8 O8 -","4","2","","Li, Menglian; Li, Shaorui; Zhang, Kexin; Chi, Xin; Zhou, Hang; Xu, Hai-Bing; Zhang, Yuexing; Li, Quan; Wang, Dong; Zeng, Ming-Hua","Coordination-directed self-assembly of molecular motors: towards a two-wheel drive nanocar.","Nanoscale","2021","13","39","16748","16754","10.1039/d1nr05046j","","x-ray","1.54184","CuKα","","0.0447","0.0409","","","0.113","0.1164","","","","","","1.065","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1564609","38.163","0.0011","17.6194","0.0007","7.3988","0.0003","90","","92.801","0.003","90","","4969.1","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H44 Ag N4 O4 -","- C54 H44 Ag N4 O4 -","- C216 H176 Ag4 N16 O16 -","4","0.5","","Li, Menglian; Li, Shaorui; Zhang, Kexin; Chi, Xin; Zhou, Hang; Xu, Hai-Bing; Zhang, Yuexing; Li, Quan; Wang, Dong; Zeng, Ming-Hua","Coordination-directed self-assembly of molecular motors: towards a two-wheel drive nanocar.","Nanoscale","2021","13","39","16748","16754","10.1039/d1nr05046j","","","1.54184","CuKα","","0.0551","0.0421","","","0.1052","0.1122","","","","","","1.047","","","","has coordinates","270465","2021-11-06","20:16:18",""
"1564610","14.1498","0.0004","9.2174","0.0003","25.7482","0.0008","90","","95.165","0.003","90","","3344.56","0.18","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Br2 O3 S Si2 -","- C28 H44 Br2 O3 S Si2 -","- C112 H176 Br8 O12 S4 Si8 -","4","1","","Komura, Mao; Ogawa, Takuji; Tani, Yosuke","Room-temperature phosphorescence of a supercooled liquid: kinetic stabilisation by desymmetrisation","Chemical Science","2021","","","","","10.1039/D1SC03800A","","x-ray","0.71073","MoKα","","0.0958","0.0569","","","0.103","0.1135","","","","","","1.02","","","","has coordinates","269090","2021-09-10","22:11:12",""
"1564611","15.4782","0.0012","8.4222","0.0007","12.5728","0.0009","90","","102.656","0.008","90","","1599.2","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-(methylthio)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazo[1,2-b]pyrazole","","- C12 H21 N3 O S Si -","- C12 H21 N3 O S Si -","- C48 H84 N12 O4 S4 Si4 -","4","1","","Schwärzer, Kuno; Rout, Saroj K.; Bessinger, Derya; Lima, Fabio; Brocklehurst, Cara E.; Karaghiosoff, Konstantin; Bein, Thomas; Knochel, Paul","Selective functionalization of the 1H-imidazo[1,2-b]pyrazole scaffold. A new potential non-classical isostere of indole and a precursor of push‒pull dyes","Chemical Science","2021","","","","","10.1039/D1SC04155J","","","0.71073","MoKα","","0.1074","0.0568","","","0.0844","0.0998","","","","","","0.988","","","","has coordinates","269091","2021-09-10","22:11:34",""
"1564612","9.5758","0.0002","11.0583","0.0002","19.9278","0.0003","92.631","0.002","94.094","0.002","91.383","0.002","2101.8","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C51 H37.5 As Br F0.5 Fe N O3 S -","- C51 H37.5 As Br F0.5 Fe N O3 S -","- C102 H75 As2 Br2 F Fe2 N2 O6 S2 -","2","1","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","","1.54184","CuKα","","0.0448","0.0417","","","0.1115","0.1151","","","","","","1.033","","","","has coordinates,has disorder","270409","2021-11-06","19:33:29",""
"1564613","8.769","0.003","11.132","0.003","15.368","0.005","95.038","0.006","102.343","0.007","110.942","0.006","1346.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","- C56 H46 Br4 Cl4 Fe2 N2 S2 -","1","0.5","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","","0.71073","MoKα","","0.0565","0.0377","","","0.0945","0.1037","","","","","","1.031","","","","has coordinates","270409","2021-11-06","19:33:29",""
"1564614","12.14","0.0012","14.7031","0.0014","18.334","0.0017","85.196","0.008","78.2","0.008","68.001","0.009","2970.1","0.5","100.1","0.6","100.1","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C68 H50 Fe2 N6 O7 S2 -","- C68 H50 Fe2 N6 O7.005 S2 -","- C136 H100 Fe4 N12 O14.01 S4 -","2","1","","Kerns, Spencer A.; Seo, Junhyeok; Lynch, Vincent M.; Shearer, Jason; Goralski, Sean T.; Sullivan, Eileen R.; Rose, Michael J.","Scaffold-based [Fe]-hydrogenase model: H<sub>2</sub> activation initiates Fe(0)-hydride extrusion and non-biomimetic hydride transfer.","Chemical science","2021","12","38","12838","12846","10.1039/d0sc03154b","","x-ray","1.54184","CuKα","","0.1415","0.0904","","","0.2078","0.2386","","","","","","1.036","","","","has coordinates,has disorder","270409","2021-11-06","19:33:29",""
"1564615","5.9247","0.0002","10.1052","0.0004","16.3411","0.0006","90","","90","","90","","978.35","0.06","110","","110","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O6 -","- C9 H12 O6 -","- C36 H48 O24 -","4","1","","Tran, David K.; Rashad, Ahmed Z.; Darensbourg, Donald J.; Wooley, Karen L.","Sustainable synthesis of CO2-derived polycarbonates from d-xylose","Polymer Chemistry","2021","12","37","5271","5278","10.1039/D1PY00784J","","","1.54178","CuKα","","0.0224","0.0222","","","0.0562","0.0565","","","","","","1.083","","","","has coordinates","269790","2021-10-06","16:22:04",""
"1564616","12.2466","0.0002","57.6646","0.0007","14.161","0.0002","90","","93.395","0.001","90","","9982.9","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C119.88 H105.88 Cl4.25 N9.88 O4 -","- C119.875 H105.875 Cl4.25 N9.875 O4 -","- C479.5 H423.5 Cl17 N39.5 O16 -","4","1","","Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo","Self-Assembly of a Water-Soluble Endohedrally Functionalized Coordination Cage Including Polar Guests","Chemical Science","2021","","","","","10.1039/D1SC03751J","","","0.71075","MoKα","","0.0885","0.0583","","","0.1335","0.1465","","","","","","1.009","","","","has coordinates,has disorder","269116","2021-09-13","22:15:28",""
"1564617","13.0137","0.0002","27.1723","0.0005","34.8441","0.0006","90","","90","","90","","12321.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C135 H110.5 B2 Cl8 F8 N10 O6 Pd -","- C135 H110.5 B2 Cl8 F8 N10 O6 Pd -","- C540 H442 B8 Cl32 F32 N40 O24 Pd4 -","4","1","","Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo","Self-Assembly of a Water-Soluble Endohedrally Functionalized Coordination Cage Including Polar Guests","Chemical Science","2021","","","","","10.1039/D1SC03751J","","","0.71075","MoKα","","0.1069","0.0645","","","0.1593","0.1793","","","","","","1.028","","","","has coordinates,has disorder","269116","2021-09-13","22:15:29",""
"1564618","17.7205","0.0009","25.5265","0.0011","26.0308","0.0014","90","","106.153","0.006","90","","11310","1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C116 H101.5 B2 Cl3 F8 N12.5 O6.5 Pd -","- C116 H101.5 B2 Cl3 F8 N12.5 O6.5 Pd -","- C464 H406 B8 Cl12 F32 N50 O26 Pd4 -","4","1","","Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo","Self-Assembly of a Water-Soluble Endohedrally Functionalized Coordination Cage Including Polar Guests","Chemical Science","2021","","","","","10.1039/D1SC03751J","","","0.71075","MoKα","","0.1679","0.0999","","","0.2861","0.3287","","","","","","1.135","","","","has coordinates,has disorder","269116","2021-09-13","22:15:29",""
"1564635","12.4856","0.0003","10.6263","0.0002","15.2385","0.0004","90","","98.181","0.002","90","","2001.2","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl N2 Rh -","- C21 H26 Cl N2 Rh -","- C84 H104 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","x-ray","1.54184","CuKα","","0.0411","0.0378","","","0.1002","0.1045","","","","","","1.045","","","","has coordinates","270344","2021-11-06","18:30:21",""
"1564636","17.8663","0.0007","15.711","0.0006","9.4111","0.0004","90","","96.939","0.004","90","","2622.32","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N2 Rh -","- C29 H34 Cl N2 Rh -","- C116 H136 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","","0.71073","MoKα","","0.0542","0.0518","","","0.1011","0.1024","","","","","","1.206","","","","has coordinates,has disorder","270344","2021-11-06","18:30:21",""
"1564637","18.3966","0.0006","21.9565","0.0007","22.9636","0.0007","90","","90","","90","","9275.6","0.5","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H61 F9 P2 Pd Si -","- C47 H61 F8.9997 P2 Pd Si -","- C376 H488 F71.9976 P16 Pd8 Si8 -","8","1","","Hurst, Michael R.; Zakharov, Lev N.; Cook, Amanda K.","The mechanism of oxidative addition of Pd(0) to Si‒H bonds: electronic effects, reaction mechanism, and hydrosilylation","Chemical Science","2021","","","","","10.1039/D1SC04419B","","","1.54178","CuKα","","0.0314","0.0274","","","0.069","0.0715","","","","","","1.033","","","","has coordinates,has disorder","269133","2021-09-14","22:10:17",""
"1564638","40.0184","0.0007","9.7379","0.0001","18.3964","0.0004","90","","115.87","0.002","90","","6450.6","0.2","123","1","123","1","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C39.6 H38.4 Al B Br2 F36 Fe2 O4 P10 -","- C36 H30 Al B Br2 F36 Fe2 O4 P10 -","- C144 H120 Al4 B4 Br8 F144 Fe8 O16 P40 -","4","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","x-ray","1.54184","CuKα","","0.0432","0.0425","","","0.1109","0.1117","","","","","","1.037","","","","has coordinates,has disorder","269134","2021-09-14","22:13:23",""
"1564639","28.0092","0.0002","21.7375","0.0002","10.5385","0.0001","90","","113.898","0.001","90","","5866.28","0.1","123.15","0.01","123.15","0.01","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H41 Al As F36 Fe O4 P5 -","- C38 H37 Al As F36 Fe O4 P5 -","- C152 H148 Al4 As4 F144 Fe4 O16 P20 -","4","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","","1.54184","CuKα","","0.0572","0.0537","","","0.1429","0.1469","","","","","","1.024","","","","has coordinates,has disorder","269134","2021-09-14","22:13:24",""
"1564640","15.4816","0.0004","16.9548","0.0005","21.6022","0.0006","86.014","0.002","71.751","0.002","88.928","0.002","5372.1","0.3","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H26 Al F36 Fe O4 P5 -","- C39 H26 Al F36 Fe O4 P5 -","- C156 H104 Al4 F144 Fe4 O16 P20 -","4","2","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","","1.54184","CuKα","","0.0722","0.0675","","","0.1882","0.1939","","","","","","1.044","","","","has coordinates,has disorder","269134","2021-09-14","22:13:24",""
"1564641","12.8777","0.0002","16.0557","0.0002","18.447","0.0003","112.486","0.001","95.125","0.001","110.981","0.001","3175.29","0.09","123","1","123","1","","","","","","","","9","P -1","-P 1","2","","","","- C36 H30 Al F36 Fe2 Ga I2 O4 P10 -","- C36 H30 Al F36 Fe2 Ga I2 O4 P10 -","- C72 H60 Al2 F72 Fe4 Ga2 I4 O8 P20 -","2","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","","1.54184","CuKα","","0.0487","0.0477","","","0.1301","0.1314","","","","","","1.035","","","","has coordinates,has disorder","269134","2021-09-14","22:13:24",""
"1564642","17.0141","0.0002","14.7929","0.0001","20.3007","0.0003","90","","113.07","0.002","90","","4700.82","0.12","123","0.1","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H26 B F20 Fe P5 Si -","- C46 H26 B F20 Fe P5 Si -","- C184 H104 B4 F80 Fe4 P20 Si4 -","4","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","","1.54184","CuKα","","0.0396","0.0359","","","0.1008","0.1029","","","","","","1.091","","","","has coordinates,has disorder","269134","2021-09-14","22:13:24",""
"1564643","21.0539","0.0002","16.5834","0.0002","38.0631","0.0004","90","","92.201","0.001","90","","13279.7","0.2","123","1","123","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C92 H98 Al2 F72 Fe2 I2 O8 P10 Sb2 -","- C86 H84 Al2 F72 Fe2 I2 O8 P10 Sb2 -","- C344 H336 Al8 F288 Fe8 I8 O32 P40 Sb8 -","4","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","","1.54184","CuKα","","0.0875","0.0649","","","0.157","0.1737","","","","","","1.008","","","","has coordinates,has disorder","269134","2021-09-14","22:13:24",""
"1564644","10.70454","0.00017","17.1553","0.0004","22.3411","0.0006","73.344","0.002","86.2377","0.0016","85.9405","0.0015","3916.3","0.16","122.93","0.19","122.93","0.19","","","","","","","","9","P -1","-P 1","2","","","","- C54 H58 Al B Br2 F36 O8 P8 Ta2 -","- C54 H58 Al B Br2 F36 O8 P8 Ta2 -","- C108 H116 Al2 B2 Br4 F72 O16 P16 Ta4 -","2","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","x-ray","1.54184","CuKα","","0.0775","0.0736","","","0.1915","0.195","","","","","","1.037","","","","has coordinates,has disorder","269134","2021-09-14","22:13:25",""
"1564645","15.0993","0.0007","18.0632","0.0008","18.8351","0.001","90","","106.706","0.005","90","","4920.3","0.4","123","0.1","123","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H22 Al F36 Fe O4 P5 -","- C33 H22 Al F36 Fe O4 P5 -","- C132 H88 Al4 F144 Fe4 O16 P20 -","4","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","x-ray","1.39222","CuKβ","","0.0667","0.0559","","","0.1462","0.164","","","","","","1.087","","","","has coordinates,has disorder","269134","2021-09-14","22:13:25",""
"1564646","12.1286","0.0004","12.6674","0.0005","17.2846","0.0008","107.67","0.004","96.922","0.003","90.247","0.003","2509.49","0.18","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C32 H20 Al F36 Fe O4 P5 Se -","- C32 H20 Al F36 Fe O4 P5 Se -","- C64 H40 Al2 F72 Fe2 O8 P10 Se2 -","2","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","","0.71073","MoKα","","0.0743","0.0508","","","0.1169","0.1329","","","","","","1.059","","","","has coordinates,has disorder","269134","2021-09-14","22:13:25",""
"1564647","31.0024","0.0008","19.5946","0.0003","19.9635","0.0006","90","","127.644","0.004","90","","9602.7","0.7","122.99","0.1","122.99","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 Al F37 Fe I O4 P5 -","- C29 H17 Al F37 Fe I O4 P5 -","- C232 H136 Al8 F296 Fe8 I8 O32 P40 -","8","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","x-ray","1.39222","CuKβ","","0.0478","0.0431","","","0.1133","0.1174","","","","","","1.021","","","","has coordinates,has disorder","269134","2021-09-14","22:13:25",""
"1564648","18.1681","0.0007","19.4877","0.0007","28.8463","0.001","77.316","0.003","72.113","0.003","64.085","0.004","8698.6","0.6","122.99","0.1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C123 H90 Al3 F114 Fe3 O12 P15 Te3 -","- C111 H82 Al3 F110 Fe3 O12 P15 Te3 -","- C222 H164 Al6 F220 Fe6 O24 P30 Te6 -","2","1","","Riesinger, Christoph; Balázs, Gábor; Seidl, Michael; Scheer, Manfred","Substituted aromatic pentaphosphole ligands ‒ a journey across the p-block","Chemical Science","2021","","","","","10.1039/D1SC04296C","","x-ray","1.54184","CuKα","","0.0844","0.0675","","","0.1662","0.1815","","","","","","1.01","","","","has coordinates,has disorder","269134","2021-09-14","22:13:25",""
"1564658","9.4633","0.0005","24.9968","0.0012","14.8197","0.0008","90","","92.583","0.002","90","","3502.1","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C14 H14 Cl3 F20 O9 S3 Sb3 -","- C56 H56 Cl12 F80 O36 S12 Sb12 -","4","1","","Hoffmann, Kurt F.; Wiesner, Anja; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Kazim, Muhammad; Pitts, Cody Ross; Lectka, Thomas; Riedel, Sebastian","Structural proof of a [C‒F‒C]+ fluoronium cation","Nature Communications","2021","12","1","5275","","10.1038/s41467-021-25592-6","","","0.71073","MoKα","","0.0247","0.0233","","","0.0528","0.0535","","","","","","1.149","","","","has coordinates,has disorder","269154","2021-09-15","18:28:06",""
"1564659","8.155","0.0005","15.9851","0.001","18.1298","0.0011","90","","102.305","0.002","90","","2309.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 F6 N2 Sb -","- C23 H25 F6 N2 Sb -","- C92 H100 F24 N8 Sb4 -","4","1","","Ramachandran, Kuppan; Anbarasan, Pazhamalai","Cobalt-Catalyzed Multisubstituted Allylation of Chelation-Assisted C-H bond of (Hetero)arenes with Cyclopropenes","Chemical Science","2021","","","","","10.1039/D1SC03476F","","","0.71073","MoKα","","0.1044","0.0724","","","0.1457","0.1587","","","","","","1.131","","","","has coordinates,has disorder","269156","2021-09-15","22:09:08",""
"1564660","17.7597","0.0007","14.3832","0.0005","10.4096","0.0004","90","","90","","90","","2659.04","0.17","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C31 H29 Cl N4 O -","- C31 H29 Cl N4 O -","- C124 H116 Cl4 N16 O4 -","4","1","","Wong, Jeff Yuk Fung; Thomson, Christopher; Vilela, Filipe; Barker, Graeme","Flash Chemistry Enables High Productivity Metalation-Substitution of 5-Alkyltetrazoles","Chemical Science","2021","","","","","10.1039/D1SC04176B","","","1.54178","CuKα","","0.0749","0.0735","","","0.1876","0.1885","","","","","","1.195","","","","has coordinates","269157","2021-09-15","22:09:31",""
"1564661","13.0208","0.0005","12.6688","0.0005","8.9165","0.0003","90","","95.368","0.001","90","","1464.4","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 I N2 O4 -","- C13 H15 I N2 O4 -","- C52 H60 I4 N8 O16 -","4","1","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","","0.71073","MoKα","","0.0617","0.0368","","","0.061","0.0701","","","","","","1.037","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564662","12.6059","0.0014","17.029","0.002","11.5334","0.0016","90","","97.402","0.013","90","","2455.2","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H21 Cl I N3 O3 -","- C26 H21 Cl I N3 O3 -","- C104 H84 Cl4 I4 N12 O12 -","4","1","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.0318","0.0287","","","0.0622","0.0643","","","","","","1.044","","","","has coordinates","269158","2021-09-15","22:10:19",""
"1564663","24.5244","0.0015","25.6507","0.0014","10.3465","0.0006","90","","90","","90","","6508.7","0.7","100.01","0.11","100.01","0.11","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C41.5 H36 Cl N O2 -","- C41.5 H36 Cl N O2 -","- C332 H288 Cl8 N8 O16 -","8","2","","Wang, Lu; Shi, Fuxing; Qi, Chaorong; Xu, Wenjie; Xiong, Wenfang; Kang, Bangxiong; Jiang, Huanfeng","Stereodivergent synthesis of β-iodoenol carbamates with CO2via photocatalysis","Chemical Science","2021","12","35","11821","11830","10.1039/D1SC03366B","","x-ray","0.71073","MoKα","","0.108","0.0816","","","0.1976","0.2232","","","","","","1.034","","","","has coordinates","269158","2021-09-15","22:10:20",""
"1564664","17.55","0.004","10.078","0.002","21.29","0.005","90","","98.496","0.016","90","","3724.2","1.4","100","1","100","1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C36 H52 N8 O4 Pu -","- C36 H52 N8 O4 Pu -","- C144 H208 N32 O16 Pu4 -","4","0.5","","Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J.","Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand","Chemical Science","2021","","","","","10.1039/D1SC03905A","","","0.71073","MoKα","","0.0432","0.0344","","","0.0709","0.0728","","","","","","1.4","","","","has coordinates","269185","2021-09-17","22:09:10",""
"1564665","12.9096","0.0017","16.627","0.002","13.5557","0.0018","90","","101.146","0.0016","90","","2854.8","0.6","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Am2 N12 O6 -","- C54 H78 Am2 N12 O6 -","- C108 H156 Am4 N24 O12 -","2","0.5","","Su, Jing; Cheisson, Thibault; McSkimming, Alex; Goodwin, Conrad A. P.; DiMucci, Ida M.; Albrecht-Schönzart, Thomas; Scott, Brian L.; Batista, Enrique R.; Gaunt, Andrew J.; Kozimor, Stosh A.; Yang, Ping; Schelter, Eric J.","Complexation and redox chemistry of neptunium, plutonium and americium with a hydroxylaminato ligand","Chemical Science","2021","","","","","10.1039/D1SC03905A","","","0.71073","MoKα","","0.0534","0.0324","","","0.0611","0.0668","","","","","","1.04","","","","has coordinates,has disorder","269185","2021-09-17","22:09:11",""
"1564666","7.8981","0.0018","10.981","0.002","15.616","0.004","72.196","0.004","88.661","0.004","80.402","0.004","1270.9","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H24 N2 O4 S -","- C33 H24 N2 O4 S -","- C66 H48 N4 O8 S2 -","2","1","","Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan","Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe","Chemical Science","2021","","","","","10.1039/D1SC04162B","","","0.71073","MoKα","","0.0866","0.0529","","","0.1197","0.1375","","","","","","1.021","","","","has coordinates","269186","2021-09-17","22:10:39",""
"1564667","32.58","0.03","12.432","0.011","16.118","0.015","90","","94.57","0.02","90","","6508","10","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H31 Cl N4 O3 S -","- C36.5 H31 Cl N4 O3 S -","- C292 H248 Cl8 N32 O24 S8 -","8","1","","Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan","Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe","Chemical Science","2021","","","","","10.1039/D1SC04162B","","","0.71073","MoKα","","0.2427","0.0994","","","0.2285","0.2962","","","","","","0.957","","","","has coordinates","269186","2021-09-17","22:10:40",""
"1564668","23.381","0.007","19.573","0.007","15.988","0.005","90","","117.634","0.009","90","","6482","4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 N4 O4 S -","- C35 H30 N4 O4 S -","- C280 H240 N32 O32 S8 -","8","1","","Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan","Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe","Chemical Science","2021","","","","","10.1039/D1SC04162B","","","0.71073","MoKα","","0.2701","0.0975","","","0.2388","0.3382","","","","","","0.903","","","","has coordinates,has disorder","269186","2021-09-17","22:10:40",""
"1564669","10.077","0.002","10.691","0.002","13.476","0.003","101.301","0.003","96.718","0.003","105.176","0.003","1352.1","0.5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O3 S -","- C33 H26 N4 O3 S -","- C66 H52 N8 O6 S2 -","2","1","","Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan","Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe","Chemical Science","2021","","","","","10.1039/D1SC04162B","","","0.71073","MoKα","","0.0898","0.0567","","","0.1452","0.1683","","","","","","1.014","","","","has coordinates,has disorder","269186","2021-09-17","22:10:40",""
"1564670","17.642","0.003","9.1727","0.0018","23.263","0.005","90","","101.185","0.009","90","","3693","1.3","174","2","174","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 N6 O7 S -","- C42 H32 N6 O7 S -","- C168 H128 N24 O28 S4 -","4","1","","Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan","Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe","Chemical Science","2021","","","","","10.1039/D1SC04162B","","","1.34139","GaKα","","0.1004","0.0759","","","0.23","0.2599","","","","","","1.049","","","","has coordinates","269186","2021-09-17","22:10:40",""
"1564671","17.669","0.005","9.336","0.003","23.887","0.007","90","","102.697","0.006","90","","3844","2","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 N6 O8 S -","- C43 H38 N6 O8 S -","- C172 H152 N24 O32 S4 -","4","1","","Tian, Jingye; Shi, Donglei; Zhang, Yanhui; Li, Xiaokang; Xinming, Li; Teng, Hao; James, Tony D.; Li, Jian; Guo, Yuan","Stress response decay with aging visualized using a dual-channel logic-based fluorescent probe","Chemical Science","2021","","","","","10.1039/D1SC04162B","","","0.71073","MoKα","","0.1824","0.074","","","0.1766","0.2298","","","","","","0.982","","","","has coordinates","269186","2021-09-17","22:10:40",""
"1564672","12.4262","0.0006","16.4652","0.0008","23.2047","0.0011","90","","98.9978","0.0015","90","","4689.3","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H55 B11 Br2 N2 O -","- C33 H55 B11 Br2 N2 O -","- C132 H220 B44 Br8 N8 O4 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.1414","0.0773","","","0.228","0.2677","","","","","","1.063","","","","has coordinates","269187","2021-09-17","22:13:47",""
"1564673","48.431","0.0019","48.431","0.0019","10.5838","0.0005","90","","90","","120","","21499","1.6","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H52 B11 Br N2 O -","- C36 H52 B11 Br N2 O -","- C648 H936 B198 Br18 N36 O18 -","18","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0706","0.0428","","","0.1008","0.1117","","","","","","1.03","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564674","12.5811","0.0011","15.3609","0.0014","19.8877","0.0018","90","","90.937","0.003","90","","3842.9","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H54 B11 Br N2 O -","- C33 H54 B11 Br N2 O -","- C132 H216 B44 Br4 N8 O4 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0652","0.0529","","","0.141","0.155","","","","","","1.069","","","","has coordinates","269187","2021-09-17","22:13:47",""
"1564675","11.9999","0.0004","17.2752","0.0005","24.8685","0.0007","90","","97.236","0.001","90","","5114.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 B12 Br N2 O2 -","- C42 H59 B12 Br N2 O2 -","- C168 H236 B48 Br4 N8 O8 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0493","0.0376","","","0.0975","0.1042","","","","","","1.041","","","","has coordinates,has disorder","269187","2021-09-17","22:13:47",""
"1564676","10.0423","0.0013","19.622","0.002","20.134","0.003","90","","90.344","0.004","90","","3967.3","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H58 B12 N2 O -","- C33 H58 B12 N2 O -","- C132 H232 B48 N8 O4 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.1364","0.0974","","","0.2435","0.2694","","","","","","1.056","","","","has coordinates,has disorder","269187","2021-09-17","22:13:48",""
"1564677","10.2696","0.0003","17.6298","0.0006","24.8027","0.0008","90","","99.17","0.002","90","","4433.2","0.2","170","2","169.98","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 B11 Br N2 O2 -","- C37 H54 B11 Br N2 O2 -","- C148 H216 B44 Br4 N8 O8 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","1.34139","GaKα","","0.0692","0.0593","","","0.1537","0.1614","","","","","","1.026","","","","has coordinates","269187","2021-09-17","22:13:48",""
"1564678","12.4666","0.0003","16.6211","0.0004","21.0117","0.0005","90","","105.626","0.001","90","","4192.89","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H46 B12 Br4 N2 -","- C29 H46 B12 Br4 N2 -","- C116 H184 B48 Br16 N8 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0472","0.0359","","","0.1068","0.1134","","","","","","1.046","","","","has coordinates","269187","2021-09-17","22:13:48",""
"1564679","19.8553","0.0007","11.6749","0.0004","20.9061","0.0007","90","","106.198","0.0012","90","","4653.8","0.3","279","2","279","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 B11 Br Cl2 Ge N2 -","- C36 H45 B11 Br Cl2 Ge N2 -","- C144 H180 B44 Br4 Cl8 Ge4 N8 -","4","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0633","0.0553","","","0.1687","0.1761","","","","","","1.056","","","","has coordinates,has disorder","269187","2021-09-17","22:13:48",""
"1564680","11.7707","0.0004","11.9109","0.0005","18.323","0.0008","93.83","0.001","94.618","0.001","105.727","0.001","2454.15","0.17","175","2","175","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H64 B11 Br N3 O1.5 -","- C42 H63 B11 Br N3 O1.5 -","- C84 H126 B22 Br2 N6 O3 -","2","1","","Wang, Hanqiang; Zhang, Jie; Xie, Zuowei","Ring-opening and ring-expansion reactions of carborane-fused borirane","Chemical Science","2021","","","","","10.1039/D1SC04453B","","","0.71073","MoKα","","0.0867","0.0711","","","0.2145","0.2292","","","","","","1.083","","","","has coordinates","269187","2021-09-17","22:13:49",""
"1564681","10.4073","0.0006","8.7265","0.0005","14.6032","0.0007","90","","94.709","0.002","90","","1321.78","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Yu, Daohong; To, Wai-Pong; Liu, Yungen; Wu, Liangliang; You, Tingjie; Ling, Jesse; Che, Chi-Ming","Direct Photo-Induced Reductive Heck Cyclization of Indoles for Efficient Preparation of Polycyclic Indolinyl Compounds","Chemical Science","2021","","","","","10.1039/D1SC04258K","","x-ray","0.71073","MoKα","","0.043","0.0365","","","0.0919","0.096","","","","","","1.054","","","","has coordinates","269188","2021-09-17","22:15:40",""
"1564682","9.6179","0.0007","15.5833","0.0012","12.461","0.0009","90","","93.679","0.003","90","","1863.8","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 N2 O3 -","- C22 H22 N2 O3 -","- C88 H88 N8 O12 -","4","2","","Yu, Daohong; To, Wai-Pong; Liu, Yungen; Wu, Liangliang; You, Tingjie; Ling, Jesse; Che, Chi-Ming","Direct Photo-Induced Reductive Heck Cyclization of Indoles for Efficient Preparation of Polycyclic Indolinyl Compounds","Chemical Science","2021","","","","","10.1039/D1SC04258K","","x-ray","0.71073","MoKα","","0.0416","0.0344","","","0.0786","0.083","","","","","","1.023","","","","has coordinates","269188","2021-09-17","22:15:40",""
"1564689","8.1297","0.0004","11.8232","0.0006","15.7213","0.0009","90","","90","","90","","1511.12","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HB4390","Schmidt, Ann-Christin; Iovkova, Lyuba; Hiersemann, Martin","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","IUCrData","2021","6","9","x210951","","10.1107/S2414314621009512","","","1.54178","CuKα","","0.0234","0.0233","","","0.0601","0.0601","","","","","","1.066","","","","has coordinates,has Fobs","269206","2021-09-18","02:18:01",""
"1564690","11.3656","0.0009","7.0636","0.0005","26.035","0.002","90","","100.148","0.003","90","","2057.4","0.3","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]\ benzylidene}amino)oxy]acetate","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C88 H100 N4 O24 -","4","1","HB4391","Sung, Jiha","Ethyl 2-[(<i>E</i>)-({2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]benzylidene}amino)oxy]acetate","IUCrData","2021","6","9","x210950","","10.1107/S2414314621009500","","","0.71073","MoKα","","0.0545","0.0458","","","0.1245","0.133","","","","","","1.056","","","","has coordinates,has Fobs","269207","2021-09-18","02:18:28",""
"1564691","16.4329","0.0002","56.1369","0.0008","18.7093","0.0003","90","","99.717","0.001","90","","17011.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C150 H132 Ag4 Au14 Cl6 P12 -","- C150 H132 Ag4 Au14 Cl6 P12 -","- C600 H528 Ag16 Au56 Cl24 P48 -","4","1","","Pan, Peiyao; Zhou, Chuanjun; Li, Hao; Zhu, Chen; Chen, Cheng; Kang, Xi; Zhu, Manzhou","Reversible transformation between Au<sub>14</sub>Ag<sub>8</sub> and Au<sub>14</sub>Ag<sub>4</sub> nanoclusters.","Nanoscale","2021","13","40","17162","17167","10.1039/d1nr05123g","","","1.54186","CuKα","","0.0816","0.0706","","","0.1936","0.2095","","","","","","1.025","","","","has coordinates","270466","2021-11-06","20:16:36",""
"1564692","17.3969","0.0005","23.5948","0.0004","23.5308","0.0005","90","","90.862","0.002","90","","9657.7","0.4","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C154 H132 Ag8 Au14 Cl4 N4 P12 -","- C154 H132 Ag8 Au14 Cl4 N4 P12 -","- C308 H264 Ag16 Au28 Cl8 N8 P24 -","2","0.5","","Pan, Peiyao; Zhou, Chuanjun; Li, Hao; Zhu, Chen; Chen, Cheng; Kang, Xi; Zhu, Manzhou","Reversible transformation between Au<sub>14</sub>Ag<sub>8</sub> and Au<sub>14</sub>Ag<sub>4</sub> nanoclusters.","Nanoscale","2021","13","40","17162","17167","10.1039/d1nr05123g","","x-ray","1.54186","CuKα","","0.1247","0.0942","","","0.2574","0.2872","","","","","","1.028","","","","has coordinates","270466","2021-11-06","20:16:36",""
"1564693","7.3445","0.0005","7.543","0.0005","18.6349","0.0012","97.717","0.002","95.887","0.002","105.087","0.002","977.5","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl2 O3 S -","- C23 H16 Cl2 O3 S -","- C46 H32 Cl4 O6 S2 -","2","1","","Chen, Ya; Zhu, Kun; Huang, Qingqin; Lu, Yixin","Regiodivergent Sulfonylarylations of 1,3-Enynes via Nickel/Photoredox Dual Catalysis","Chemical Science","2021","","","","","10.1039/D1SC04320J","","","0.71073","MoKα","","0.1045","0.0639","","","0.1422","0.1727","","","","","","1.067","","","","has coordinates","269217","2021-09-20","22:13:54",""
"1564694","11.6577","0.0003","27.6265","0.0008","10.2389","0.0003","90","","113.393","0.001","90","","3026.51","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Cl O3 S -","- C35 H33 Cl O3 S -","- C140 H132 Cl4 O12 S4 -","4","1","","Chen, Ya; Zhu, Kun; Huang, Qingqin; Lu, Yixin","Regiodivergent Sulfonylarylations of 1,3-Enynes via Nickel/Photoredox Dual Catalysis","Chemical Science","2021","","","","","10.1039/D1SC04320J","","","1.54178","CuKα","","0.0508","0.0478","","","0.1256","0.1279","","","","","","1.067","","","","has coordinates,has disorder","269217","2021-09-20","22:13:55",""
"1564695","6.0245","0.0003","26.7814","0.0019","17.4898","0.0007","90","","92.341","0.004","90","","2819.5","0.3","119.99","0.13","119.99","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N S2 -","- C18 H11 N S2 -","- C144 H88 N8 S16 -","8","2","","Li, Mengke; Cai, Xinyi; Chen, Zijian; Liu, Kunkun; Qiu, Weidong; Xie, Wentao; Wang, Liangying; Su, Shi-Jian","Boosting Purely Organic Room-Temperature Phosphorescence Performance through Host-Guest Strategy","Chemical Science","2021","","","","","10.1039/D1SC03420K","","x-ray","1.54184","CuKα","","0.0826","0.0672","","","0.1843","0.193","","","","","","1.057","","","","has coordinates","269218","2021-09-20","22:14:30",""
"1564696","6.1703","0.0003","7.5854","0.0005","28.631","0.0015","90","","90","","90","","1340.05","0.13","119.99","0.13","119.99","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N S2 -","- C18 H11 N S2 -","- C72 H44 N4 S8 -","4","1","","Li, Mengke; Cai, Xinyi; Chen, Zijian; Liu, Kunkun; Qiu, Weidong; Xie, Wentao; Wang, Liangying; Su, Shi-Jian","Boosting Purely Organic Room-Temperature Phosphorescence Performance through Host-Guest Strategy","Chemical Science","2021","","","","","10.1039/D1SC03420K","","x-ray","1.54184","CuKα","","0.068","0.0641","","","0.171","0.1746","","","","","","1.062","","","","has coordinates","269218","2021-09-20","22:14:30",""
"1564697","14.0413","0.0003","7.0334","0.0002","27.4163","0.0009","90","","90","","90","","2707.58","0.13","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C120 H128 O40 -","8","2","","Haughey, Maxwell B.; Christensen, Kirsten E.; Poole, Darren L.; Donohoe, Timothy J.","Development of an enolate alkynylation approach towards the synthesis of the taiwanschirin natural products","Chemical Science","2021","","","","","10.1039/D1SC04247E","","","1.54184","CuKα","","0.0391","0.0355","","0.095","0.0906","0.0949","","","","","","0.9983","","","","has coordinates","269219","2021-09-20","22:14:55",""
"1564698","9.9733","0.0006","23.7417","0.0016","6.7824","0.0004","90","","90","","90","","1605.96","0.17","100","2","100","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C20 H10 Na8 O21 S8 -","- C20 Na8 O21 S8 -","- C40 Na16 O42 S16 -","2","0.125","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.0417","0.038","","","0.1007","0.1041","","","","","","1.155","","","","has coordinates","269221","2021-09-20","22:16:16",""
"1564699","7.3641","0.0005","12.7617","0.0008","22.6074","0.0014","90","","90","","90","","2124.6","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H4 Cs4 O10 S4 -","- C10 Cs4 O10 S4 -","- C40 Cs16 O40 S16 -","4","1","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.068","0.0443","","","0.0895","0.105","","","","","","1.088","","","","has coordinates","269221","2021-09-20","22:16:18",""
"1564700","12.5218","0.0011","23.348","0.002","7.3314","0.0006","90","","90","","90","","2143.4","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H32 O48 Rb16 S16 -","- C40 O48 Rb16 S16 -","- C40 O48 Rb16 S16 -","1","0.125","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.0485","0.0418","","","0.1043","0.1095","","","","","","1.074","","","","has coordinates,has disorder","269221","2021-09-20","22:16:18",""
"1564701","21.6112","0.0012","13.0967","0.0007","7.3463","0.0004","90","","97.934","0.002","90","","2059.36","0.19","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 K4 O12 S4 -","- C10 K4 O12 S4 -","- C40 K16 O48 S16 -","4","1","","Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav","Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks","Chemical Science","2021","","","","","10.1039/D1SC04338B","","","0.71073","MoKα","","0.0814","0.0682","","","0.1907","0.2006","","","","","","1.079","","","","has coordinates,has disorder","269221","2021-09-20","22:16:19",""
"1564702","16.0512","0.0001","11.4206","0.0001","20.2117","0.0001","90","","90.194","0.001","90","","3705.07","0.04","297.99","0.16","297.99","0.16","","","","","","","","6","I 1 2 1","I 2y","5","","InOC-1","","- C36 H84 Cl6 In12 N8 O26 -","- C36 H84 Cl6 In12 N8 O26 -","- C72 H168 Cl12 In24 N16 O52 -","2","0.5","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","x-ray","1.3405","GaKα","","0.034","0.0335","","","0.0911","0.0915","","","","","","1.036","","","","has coordinates","269243","2021-09-22","22:11:56",""
"1564703","15.9744","0.0002","15.9744","0.0002","19.4804","0.0005","90","","90","","90","","4971.04","0.16","100.03","0.19","100.03","0.19","","","","","","","","7","I -4","I -4","82","","InOC-5","","- C56 H88 Cl6 F4 In12 N8 O26 -","- C56 H88 Cl6 F4 In12 N8 O26 -","- C112 H176 Cl12 F8 In24 N16 O52 -","2","0.25","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","","1.54178","CuKα","","0.028","0.0275","","","0.0709","0.0712","","","","","","1.086","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1564704","16.1018","0.0004","16.1018","0.0004","20.4257","0.0008","90","","90","","90","","5295.7","0.3","100.01","0.12","100.01","0.12","","","","","","","","6","I -4","I -4","82","","InOC-4","","- C56 H68 Br6 In12 N12 O34 -","- C56 H72 Br6 In12 N12 O34 -","- C112 H144 Br12 In24 N24 O68 -","2","0.25","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","","1.54184","CuKα","","0.0793","0.0759","","","0.1999","0.2069","","","","","","1.067","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1564705","15.9892","0.0002","15.9892","0.0002","20.3659","0.0005","90","","90","","90","","5206.63","0.16","100","0.2","100","0.2","","","","","","","","6","I -4","I -4","82","","InOC-3","","- C56 H88 Cl6 In12 N12 O34 -","- C56 H88 Cl6 In12 N12 O34 -","- C112 H176 Cl12 In24 N24 O68 -","2","0.25","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","x-ray","1.54184","CuKα","","0.0601","0.0565","","","0.1445","0.1484","","","","","","1.048","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1564706","11.5427","0.0003","26.8196","0.0003","26.8568","0.0005","101.182","0.001","102.181","0.002","96.092","0.002","7878.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","InOC-2","","- C36 H84 Br6 In12 N8 O26 -","- C36 H84 Br6 In12 N8 O26 -","- C144 H336 Br24 In48 N32 O104 -","4","2","","Yi, Xiaofeng; Wang, Di; Li, Fan; Zhang, Jian; Zhang, Lei","Molecular Bixbyite-Like In12-Oxo Clusters with Tunable Functionalization Sites for Lithography Patterning Applications","Chemical Science","2021","","","","","10.1039/D1SC04491E","","x-ray","1.3405","GaKα","","0.1138","0.0754","","","0.1826","0.2024","","","","","","1.045","","","","has coordinates","269243","2021-09-22","22:11:57",""
"1564707","16.5803","0.0006","19.1653","0.0007","28.6484","0.001","82.336","0.003","74.654","0.003","83.677","0.003","8673.8","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H152 N20 O28 -","- C120 H152 N20 O28 -","- C240 H304 N40 O56 -","2","1","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","","1.54184","CuKα","","0.1353","0.0998","","","0.2913","0.3206","","","","","","1.055","","","","has coordinates","269264","2021-09-23","22:20:22",""
"1564708","33.0202","0.001","65.6703","0.0015","31.087","0.0007","90","","106.056","0.003","90","","64781","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C216 H235 N32 O44 -","- C216 H235 N32 O44 -","- C1728 H1880 N256 O352 -","8","1","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","","1.54184","CuKα","","0.15","0.1045","","","0.3288","0.3764","","","","","","1.255","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1564709","15.5943","0.0008","18.0748","0.0009","19.3687","0.0008","114.995","0.005","95.009","0.004","112.025","0.005","4386.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C136 H194 N24 O32 -","- C136 H194 N24 O32 -","- C136 H194 N24 O32 -","1","0.5","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","","1.54184","CuKα","","0.1243","0.1067","","","0.3005","0.3326","","","","","","1.264","","","","has coordinates","269264","2021-09-23","22:20:22",""
"1564710","17.5086","0.001","17.6121","0.0009","19.7087","0.0011","95.171","0.004","107.534","0.005","119.643","0.006","4822.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C152 H228 N28 O36 -","- C152 H228 N28 O38 -","- C152 H228 N28 O38 -","1","0.5","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","","1.54184","CuKα","","0.1509","0.1175","","","0.3635","0.3932","","","","","","1.421","","","","has coordinates","269264","2021-09-23","22:20:23",""
"1564711","56.553","0.002","15.3485","0.0007","60.22","0.003","90","","115.851","0.006","90","","47040","4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C256 H252 N32 O48 -","- C256 H264 N32 O48 -","- C1024 H1056 N128 O192 -","4","0.5","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","","1.54184","CuKα","","0.2017","0.1279","","","0.3742","0.4259","","","","","","1.123","","","","has coordinates","269264","2021-09-23","22:20:23",""
"1564712","31.8298","0.0003","15.7439","0.0001","39.9094","0.0003","90","","95.239","0.001","90","","19916.1","0.3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H144 N24 O32 -","- C144 H206 N24 O32 -","- C576 H824 N96 O128 -","4","0.5","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","","1.54184","CuKα","","0.0858","0.0727","","","0.2215","0.2399","","","","","","0.893","","","","has coordinates","269264","2021-09-23","22:20:23",""
"1564713","44.0956","0.0009","44.5782","0.0008","48.2469","0.0009","90","","90","","90","","94839","3","100","2","100","2","","","","","","","","4","P n n n :2","-P 2ab 2bc","48","","","","- C384 H386 N48 O72 -","- C384 H380 N48 O72 -","- C1536 H1520 N192 O288 -","4","0.5","","Yang, Miao; Qiu, Fenglei; M. El-Sayed, El-Sayed; Wang, Wenjing; du, shunfu; Su, Kongzhao; Yuan, Daqiang","Water-Stable Hydrazone-Linked Porous Organic Cages","Chemical Science","2021","","","","","10.1039/D1SC04531H","","x-ray","1.54178","CuKα","","0.3544","0.2321","","","0.56","0.63","","","","","","1.573","","","","has coordinates","269264","2021-09-23","22:20:23",""
"1564714","8.3888","0.0005","8.8692","0.0006","8.5608","0.0006","90","","106.684","0.002","90","","610.13","0.07","299","2","299","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- B4 Ba4 Ca F2 O10 -","- B4 Ba4 Ca F2 O10 -","- B8 Ba8 Ca2 F4 O20 -","2","1","","Li, Shuaishuai; Liu, Xiaomeng; Wu, Hongping; Song, Zhongfu; Yu, Hongwei; Lin, Zheshuai; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Ba4Ca(B2O5)2F2: π-Conjugation of B2O5 in the Planar Pentagonal Layer Achieving Large Second Harmonic Generation of Pyro-borate","Chemical Science","2021","","","","","10.1039/D1SC04913E","","","0.71073","MoKα","","0.0296","0.0276","","","0.0619","0.0635","","","","","","1.042","","","","has coordinates","269265","2021-09-23","22:21:27",""
"1564715","12.839","0.0003","18.1142","0.0003","22.4774","0.0005","97.788","0.002","101.49","0.002","107.207","0.002","4786.76","0.19","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C97 H131 Al2 Cu K N4 O2 -","- C97 H131 Al2 Cu K N4 O2 -","- C194 H262 Al4 Cu2 K2 N8 O4 -","2","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","","1.54184","CuKα","","0.0686","0.0556","","","0.16","0.175","","","","","","1.033","","","","has coordinates,has disorder","269266","2021-09-23","22:23:21",""
"1564716","12.6572","0.0004","19.3809","0.0006","30.2695","0.0012","90","","98.787","0.004","90","","7338.2","0.4","150","0.2","150","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H117 Al Cu N4 O P -","- C78 H117 Al Cu N4 O P -","- C312 H468 Al4 Cu4 N16 O4 P4 -","4","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","1.54184","CuKα","","0.1236","0.079","","","0.1856","0.2153","","","","","","1.031","","","","has coordinates,has disorder","269266","2021-09-23","22:23:22",""
"1564717","14.391","0.0008","19.5868","0.0006","26.9617","0.0009","90","","102.038","0.005","90","","7432.7","0.6","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H103 Ag Al N4 O2 P -","- C66 H103 Ag Al N4 O2 P -","- C264 H412 Ag4 Al4 N16 O8 P4 -","4","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","1.54184","CuKα","","0.1053","0.092","","","0.2628","0.276","","","","","","1.028","","","","has coordinates","269266","2021-09-23","22:23:22",""
"1564718","13.0313","0.0004","15.8057","0.0007","18.8852","0.0009","112.876","0.004","98.299","0.003","92.821","0.003","3522.6","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C150 H208 Al2 Cu2 N4 O8 P2 -","- C150 H208 Al2 Cu2 N4 O8 P2 -","- C150 H208 Al2 Cu2 N4 O8 P2 -","1","0.5","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","1.54184","CuKα","","0.1519","0.0973","","","0.2453","0.3017","","","","","","0.995","","","","has coordinates,has disorder","269266","2021-09-23","22:23:22",""
"1564719","12.804","0.0006","14.3764","0.0005","20.7258","0.0007","82.027","0.003","72.271","0.003","70.022","0.004","3412.7","0.3","150.03","0.13","150.03","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C73 H105 Ag Ga N2 O P -","- C73 H105 Ag Ga N2 O P -","- C146 H210 Ag2 Ga2 N4 O2 P2 -","2","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","0.71073","MoKα","","0.0586","0.0407","","","0.0904","0.1005","","","","","","1.023","","","","has coordinates","269266","2021-09-23","22:23:22",""
"1564720","17.3044","0.0001","18.1488","0.0001","22.2409","0.0001","90","","90","","90","","6984.85","0.06","150.01","0.11","150.01","0.11","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H115 Ag Al N4 O P -","- C71 H115 Ag Al N4 O P -","- C284 H460 Ag4 Al4 N16 O4 P4 -","4","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","1.54184","CuKα","","0.0322","0.0308","","","0.08","0.0813","","","","","","1.043","","","","has coordinates,has disorder","269266","2021-09-23","22:23:23",""
"1564721","13.0018","0.0004","15.7611","0.0007","19.2597","0.001","113.433","0.004","99.104","0.003","91.609","0.003","3557.5","0.3","150","0.3","150","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C75 H104 Ag Al N2 O4 P -","- C75 H104 Ag Al N2 O4 P -","- C150 H208 Ag2 Al2 N4 O8 P2 -","2","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","1.54184","CuKα","","0.1077","0.0615","","","0.1427","0.1768","","","","","","1.061","","","","has coordinates,has disorder","269266","2021-09-23","22:23:23",""
"1564722","13.5914","0.0003","19.1763","0.0003","27.3025","0.0005","90","","102.636","0.002","90","","6943.6","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H65 Cu4 I2 O0.5 P4 -","- C74 H65 Cu4 I2 O0.5 P4 -","- C296 H260 Cu16 I8 O2 P16 -","4","0.5","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","","1.54184","CuKα","","0.0367","0.0317","","","0.0856","0.0894","","","","","","1.047","","","","has coordinates,has disorder","269266","2021-09-23","22:23:23",""
"1564723","11.3895","0.0013","20.671","0.002","16.3407","0.0018","90","","93.38","0.006","90","","3840.4","0.7","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C168 H224 N16 O24 -","8","1","","Xu, Fan; Smith, Myles W.","A General Approach to 2,2-Disubstituted Indoxyls: Total Synthesis of Brevianamide A and Trigonoliimine C","Chemical Science","2021","","","","","10.1039/D1SC03533A","","","0.71073","MoKα","","0.0585","0.0413","","","0.1001","0.1082","","","","","","1.033","","","","has coordinates","269267","2021-09-23","22:24:22",""
"1564724","7.6009","0.0003","7.6009","0.0003","7.8187","0.0005","90","","90","","120","","391.2","0.03","296","","296","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Icosaaluminium pentamanganese nickel","","- Al20 Mn5.37 Ni1.31 -","- Al20 Mn5.37 Ni1.314 -","- Al20 Mn5.37 Ni1.314 -","1","0.0416667","WM4153","Hu, Qifa; Wen, Bin; Fan, Changzeng","Crystal structure of the Al20Mn5.37Ni1.31 phase in the Al‒Mn‒Ni system","IUCrData","2021","6","9","","","10.1107/S2414314621009810","","","0.71073","MoKα","","0.0176","0.0159","","","0.033","0.0333","","","","","","1.202","","","","has coordinates,has Fobs","269310","2021-09-25","02:15:32",""
"1564730","18.909","0.002","26.36","0.003","4.9742","0.0005","90","","90","","90","","2479.3","0.5","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","Sn(maltol)2","Sn(maltol)2","","- C12 H10 O6 Sn -","- C12 H10 O6 Sn -","- C96 H80 O48 Sn8 -","8","0.5","","Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi","Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment","Chemical Science","2021","","","","","10.1039/D1SC04221A","","","0.71073","MoKα","","0.0156","0.0146","","","0.0329","0.0333","","","","","","1.044","","","","has coordinates","269325","2021-09-27","22:09:42",""
"1564731","7.575","0.001","12.2799","0.0016","18.784","0.003","90","","90","","90","","1747.3","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","SnImaltol","SnImaltol","","- C6 H5 I O3 Sn -","- C6 H5 I O3 Sn -","- C48 H40 I8 O24 Sn8 -","8","1","","Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi","Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment","Chemical Science","2021","","","","","10.1039/D1SC04221A","","","0.71073","MoKα","","0.0174","0.017","","","0.0347","0.0348","","","","","","1.351","","","","has coordinates","269325","2021-09-27","22:09:43",""
"1564732","9.4057","0.0012","7.3958","0.0009","11.7318","0.0014","90","","98.096","0.002","90","","807.96","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","SnBrmaltol","SnBrmaltol","","- C6 H5 Br O3 Sn -","- C6 H5 Br O3 Sn -","- C24 H20 Br4 O12 Sn4 -","4","1","","Hu, Shuaifeng; Truong, Minh Anh; Otsuka, Kento; Handa, Taketo; Yamada, Takumi; Nishikubo, Ryosuke; Iwasaki, Yasuko; Saeki, Akinori; Murdey, Richard; Kanemitsu, Yoshihiko; Wakamiya, Atsushi","Mixed lead‒tin perovskite films with >7 μs charge carrier lifetimes realized by maltol post-treatment","Chemical Science","2021","","","","","10.1039/D1SC04221A","","","0.71073","MoKα","","0.018","0.0164","","","0.0366","0.0371","","","","","","1.039","","","","has coordinates","269325","2021-09-27","22:09:43",""
"1564733","19.3982","0.0006","19.9869","0.0007","10.3954","0.0004","90","","104.314","0.002","90","","3905.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 N Ti -","- C51 H63 N Ti -","- C204 H252 N4 Ti4 -","4","1","","Fischer, Malte; Manssen, Manfred; Schmidtmann, Marc M.S.; Klüner, Thorsten T.K.; Beckhaus, Ruediger","Selective Propargylic C(sp 3 )‒H Activation of Methyl-Substituted Alkynes Versus [2+2] Cycloaddition at a Titanium Imido Template","Chemical Science","2021","","","","","10.1039/D1SC04334J","","","1.54178","CuKα","","0.0642","0.0429","","","0.0946","0.1045","","","","","","1.054","","","","has coordinates","269348","2021-09-28","22:24:13",""
"1564734","14.6868","0.0008","11.3121","0.0006","22.0238","0.0012","90","","91.0155","0.0016","90","","3658.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H61 N Ti -","- C46 H61 N Ti -","- C184 H244 N4 Ti4 -","4","1","","Fischer, Malte; Manssen, Manfred; Schmidtmann, Marc M.S.; Klüner, Thorsten T.K.; Beckhaus, Ruediger","Selective Propargylic C(sp 3 )‒H Activation of Methyl-Substituted Alkynes Versus [2+2] Cycloaddition at a Titanium Imido Template","Chemical Science","2021","","","","","10.1039/D1SC04334J","","","0.71073","MoKα","","0.0501","0.038","","","0.0998","0.1082","","","","","","1.041","","","","has coordinates","269348","2021-09-28","22:24:14",""
"1564735","18.7684","0.0009","15.8524","0.0007","27.8285","0.0013","90","","105.978","0.0018","90","","7959.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H63 N Ti -","- C51 H63 N Ti -","- C408 H504 N8 Ti8 -","8","2","","Fischer, Malte; Manssen, Manfred; Schmidtmann, Marc M.S.; Klüner, Thorsten T.K.; Beckhaus, Ruediger","Selective Propargylic C(sp 3 )‒H Activation of Methyl-Substituted Alkynes Versus [2+2] Cycloaddition at a Titanium Imido Template","Chemical Science","2021","","","","","10.1039/D1SC04334J","","","0.71073","MoKα","","0.052","0.0394","","","0.0921","0.0986","","","","","","1.006","","","","has coordinates","269348","2021-09-28","22:24:14",""
"1564736","6.8529","0.0002","9.2662","0.0003","19.1898","0.0005","90","","90.051","0.002","90","","1218.56","0.06","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 S -","- C13 H18 O3 S -","- C52 H72 O12 S4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Trevino, Ramon; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Photoinduced C(sp3)‒H Sulfination Empowers a Direct and Chemoselective Introduction of the Sulfonyl Group","Chemical Science","2021","","","","","10.1039/D1SC04245A","","x-ray","0.71073","MoKα","","0.0417","0.0405","","","0.0887","0.0894","","","","","","1.051","","","","has coordinates","269349","2021-09-28","22:25:28",""
"1564737","9.194","0.0002","10.523","0.0003","15.2153","0.0004","90","","90","","90","","1472.06","0.07","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 S -","- C14 H21 N O3 S -","- C56 H84 N4 O12 S4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Trevino, Ramon; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Photoinduced C(sp3)‒H Sulfination Empowers a Direct and Chemoselective Introduction of the Sulfonyl Group","Chemical Science","2021","","","","","10.1039/D1SC04245A","","x-ray","0.71073","MoKα","","0.0345","0.0333","","","0.0779","0.0786","","","","","","1.059","","","","has coordinates","269349","2021-09-28","22:25:33",""
"1564738","11.7797","0.0003","10.1425","0.0002","9.672","0.0002","90","","96.019","0.002","90","","1149.2","0.04","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N O3 S -","- C10 H19 N O3 S -","- C40 H76 N4 O12 S4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Trevino, Ramon; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Photoinduced C(sp3)‒H Sulfination Empowers a Direct and Chemoselective Introduction of the Sulfonyl Group","Chemical Science","2021","","","","","10.1039/D1SC04245A","","x-ray","0.71073","MoKα","","0.0344","0.0341","","","0.0845","0.0848","","","","","","1.036","","","","has coordinates","269349","2021-09-28","22:25:35",""
"1564739","5.5955","0.0002","10.738","0.0003","11.8452","0.0003","99.357","0.002","93.406","0.002","90.654","0.003","700.84","0.04","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl N O2 S -","- C15 H16 Cl N O2 S -","- C30 H32 Cl2 N2 O4 S2 -","2","1","","Jin, Shengfei; Haug, Graham C.; Trevino, Ramon; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Photoinduced C(sp3)‒H Sulfination Empowers a Direct and Chemoselective Introduction of the Sulfonyl Group","Chemical Science","2021","","","","","10.1039/D1SC04245A","","x-ray","0.71073","MoKα","","0.0402","0.0398","","","0.0902","0.0904","","","","","","0.998","","","","has coordinates","269349","2021-09-28","22:25:35",""
"1564740","11.7612","0.0006","13.5991","0.0007","14.6943","0.0007","90","","101.831","0.002","90","","2300.3","0.2","296.15","","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Co N4 O22 -","- C50 H44 Co N4 O22 -","- C100 H88 Co2 N8 O44 -","2","0.5","","Duan, Xinde; Ren, Shuangshuang; Ge, Fayuan; Zhu, Xukun; Zhang, Mingdao; Zheng, Hegen","MOF-derived CoNi,CoO,NiO@N-C bifunctional oxygen electrocatalysts for liquid and all-solid-state Zn-air batteries.","Nanoscale","2021","13","41","17655","17662","10.1039/d1nr04537g","","","0.71073","MoKα","","0.0495","0.0375","","","0.0876","0.0935","","","","","","1.027","","","","has coordinates","270463","2021-11-06","20:15:40",""
"1564764","12.6058","0.0003","36.234","0.0008","13.4322","0.0004","90","","91.713","0.001","90","","6132.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 B F24 N3 Ni -","- C60 H48 B F24 N3 Ni -","- C240 H192 B4 F96 N12 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Ortega, Daniela E.; Cortés-Arriagada, Diego; Pereira, Alfredo; Daniliuc, Constantin G.; Klitzke, Clecio F.; Santos, Leonardo S.; Rojas, Rene S.","Neutral and cationic methallyl nickel complexes in alkene activation: a combined DFT, ESI-MS and chemometric approach","Catalysis Science & Technology","2021","11","22","7475","7485","10.1039/D1CY01595H","","","0.71073","MoKα","","0.1837","0.0927","","","0.189","0.2411","","","","","","1.029","","","","has coordinates,has disorder","271150","2021-12-07","02:20:39",""
"1564765","14.2641","0.0003","19.0639","0.0004","22.615","0.0005","90","","90","","90","","6149.7","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Pd2 -","- C56 H76 Cl8 N4 Pd2 -","- C224 H304 Cl32 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0411","0.0286","","","0.0567","0.0628","","","","","","1.075","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564766","12.4263","0.0003","14.7841","0.0004","16.2288","0.0004","90","","103.567","0.001","90","","2898.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H74 Br2 N4 O2 Pd2 -","- C54 H74 Br2 N4 O2 Pd2 -","- C108 H148 Br4 N8 O4 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0565","0.0404","","","0.0965","0.1079","","","","","","1.022","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564767","14.6417","0.0004","19.3275","0.0006","22.4789","0.0007","90","","90","","90","","6361.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Br4 Cl4 N4 Pd2 -","- C56 H76 Br4 Cl4 N4 Pd2 -","- C224 H304 Br16 Cl16 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0371","0.0304","","","0.0809","0.0849","","","","","","1.037","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564768","12.5373","0.0003","15.0465","0.0003","16.1547","0.0003","90","","100.064","0.001","90","","3000.57","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H74 Cl2 I4 N4 Pd2 -","- C55 H74 Cl2 I4 N4 Pd2 -","- C110 H148 Cl4 I8 N8 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0197","0.0185","","","0.0412","0.0417","","","","","","1.086","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564769","29.8011","0.0004","13.1568","0.0002","30.6277","0.0004","90","","95.8028","0.0006","90","","11947.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C436 H600 Cl24 N32 O16 Pd16 -","8","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0484","0.0375","","","0.0842","0.092","","","","","","1.017","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564770","25.3642","0.0007","12.2415","0.0003","18.7483","0.0005","90","","105.03","0.001","90","","5622.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 I2 N4 O2 Pd2 -","- C54 H74 I2 N4 O2 Pd2 -","- C216 H296 I8 N16 O8 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0436","0.0337","","","0.0617","0.0661","","","","","","1.059","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564771","14.176","0.003","16.361","0.003","9.6086","0.0011","90","","92.168","0.01","90","","2227","0.7","293","","293","","","","2100000","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C45.8 H97.4 N2 O19.9 Zn2 -","- C22 H24 N2 O8 Zn2 -","- C44 H48 N4 O16 Zn4 -","2","0.25","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.2172","0.1765","","0.4931","0.4515","0.377","","","","","","1.2985","","","","has coordinates","269405","2021-09-30","22:17:01",""
"1564772","10.9805","0.0016","10.9805","0.0016","9.722","0.0019","90","","90","","90","","1172.2","0.3","298","","298","","","","310000","","","","","5","P 4/m m m","-P 4 2","123","","","","- C37.6 H72.8 N2 O15.8 Zn2 -","- C22 H26 N2 O8 Zn2 -","- C22 H26 N2 O8 Zn2 -","1","0.0625","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.0976","0.0762","","0.2024","0.1709","0.1895","","","","","","1.0161","","","","has coordinates","269405","2021-09-30","22:17:02",""
"1564773","15.13","0.018","15.13","0.018","19.32","0.04","90","","90","","90","","4423","12","298","","298","","","","100000","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.4859","synchrotron","","0.1881","0.1787","","0.56","0.552","0.2287","","","","","","1.0796","","","","has coordinates","269405","2021-09-30","22:17:02",""
"1564774","13.6785","0.0013","16.9282","0.0015","9.6888","0.0008","90","","90","","90","","2243.5","0.3","298","","298","","","","150000","","","","","5","C m m m","-C 2 2","65","","","","- C34 H38 N2 O8 Zn2 -","- C34 H38 N2 O8 Zn2 -","- C68 H76 N4 O16 Zn4 -","2","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.1048","0.084","","0.3533","0.3163","0.2097","","","","","","1.0115","","","","has coordinates","269405","2021-09-30","22:17:02",""
"1564775","10.689","0.0006","10.689","0.0006","9.6506","0.0005","90","","90","","90","","1102.63","0.1","298","","298","","","","330000","","","","","5","P 4/m m m","-P 4 2","123","","","","- C34 H48 N6 O12 Zn2 -","- C22 H20 N2 O8 Zn2 -","- C22 H20 N2 O8 Zn2 -","1","0.0625","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.4859","synchrotron","","0.1292","0.1169","","0.4487","0.4331","0.203","","","","","","1.0063","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564776","13.575","0.003","16.993","0.003","9.668","0.0011","90","","90","","90","","2230.2","0.7","298","","298","","","","200000","","","","","5","C m m m","-C 2 2","65","","","","- C34 H38 N2 O8 Zn2 -","- C34 H38 N2 O8 Zn2 -","- C68 H76 N4 O16 Zn4 -","2","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.1522","0.1134","","0.3634","0.3289","0.2867","","","","","","1.0149","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564777","10.983","0.0016","10.983","0.0016","9.727","0.002","90","","90","","90","","1173.3","0.3","298","","298","","","","690000","","","","","5","P 4/m m m","-P 4 2","123","","","","- C38.2 H74.6 N2 O16.1 Zn2 -","- C22 H26 N2 O8 Zn2 -","- C22 H26 N2 O8 Zn2 -","1","0.0625","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.0916","0.0761","","0.2126","0.1909","0.2126","","","","","","1.0403","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564778","14.4123","0.0012","16.3757","0.0013","9.703","0.0004","90","","92.158","0.004","90","","2288.4","0.3","293","","293","","","","1190000","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C45.8 H97.4 N2 O19.9 Zn2 -","- C22 H24 N2 O8 Zn2 -","- C44 H48 N4 O16 Zn4 -","2","0.25","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.1699","0.1332","","0.31","0.2881","0.2762","","","","","","1.5129","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564779","15.11","0.001","15.11","0.001","19.2672","0.0012","90","","90","","90","","4398.9","0.5","298","","298","","","","100000","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.4859","synchrotron","","0.1452","0.1009","","0.3887","0.3645","0.1969","","","","","","0.9768","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564780","14.9647","0.0009","14.9647","0.0009","19.266","0.004","90","","90","","90","","4314.5","1","298","","298","","","","320000","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C34 H48 N6 O12 Zn2 -","- C34 H48 N6 O12 Zn2 -","- C136 H192 N24 O48 Zn8 -","4","0.125","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.4859","synchrotron","","0.2081","0.1925","","0.5903","0.5828","0.2208","","","","","","1.0291","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564781","10.9135","0.00004","10.9135","0.00004","9.626","0.00004","90","","90","","90","","1146.5","0.008","298","","298","","","","101","","","","","5","P 4/m m m","-P 4 2","123","","","","- C29.8 H49.4 N2 O11.9 Zn2 -","- C22 H26 N2 O8 Zn2 -","- C22 H26 N2 O8 Zn2 -","1","0.0625","","Turner, Gemma F.; McKellar, Scott C.; Allan, David R.; Cheetham, Anthony K.; Henke, Sebastian; Moggach, Stephen A.","Guest-mediated phase transitions in a flexible pillared-layered metal‒organic framework under high-pressure","Chemical Science","2021","","","","","10.1039/D1SC03108B","","","0.71073","MoKα","","0.0246","0.0241","","0.0668","0.0665","0.0668","","","","","","1.0364","","","","has coordinates","269405","2021-09-30","22:17:03",""
"1564782","7.299","0.0001","10.9971","0.0001","28.3111","0.0003","90","","90","","90","","2272.47","0.04","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","","Zhou, Han-Qi; Gu, Xing-Wei; Zhou, Xiao-Hua; Li, Li; Ye, Fei; Yin, Guan-Wu; Xu, Zheng; Xu, Li-Wen","Enantioselective palladium-catalyzed C(sp2)‒C(sp2) σ bond activation of cyclopropenones by merging desymmetrization and (3 + 2) spiroannulation with cyclic 1,3-diketones","Chemical Science","2021","","","","","10.1039/D1SC04558J","","","1.54178","CuKα","","0.04","0.0396","","","0.1107","0.1113","","","","","","1.06","","","","has coordinates","269406","2021-09-30","22:18:00",""
"1564783","28.1693","0.0002","7.8436","0.0004","28.7267","0.0002","90","","99.93","0.001","90","","6252","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","BS748","","- C38 H41 N3 O4 -","- C38 H41 N3 O4 -","- C304 H328 N24 O32 -","8","2","","Sadowski, Bartłomiej; Kaliszewska, Marzena; Poronik, Yevgen M.; Czichy, Małgorzata; Janasik, Patryk; Banasiewicz, Marzena; Mierzwa, Dominik; Gadomski, Wojciech; Lohrey, Trevor D.; Clark, John A.; Łapkowski, Mieczysław; Kozankiewicz, Bolesław; Vullev, Valentine I.; Sobolewski, Andrzej L.; Piatkowski, Piotr; Gryko, Daniel T.","Potent strategy towards strongly emissive nitroaromatics through a weakly electron-deficient core","Chemical Science","2021","","","","","10.1039/D1SC03670J","","","1.54184","CuKα","","0.0568","0.0537","","","0.1303","0.1326","","","","","","1.147","","","","has coordinates","269407","2021-09-30","22:18:45",""
"1564784","4.8094","0.0002","12.3555","0.0004","31.0929","0.001","90","","93.544","0.002","90","","1844.09","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,12-Diheptyl-3,9-bis(2-methyl-4-nitrophenyl)-5H,11H-dipyrrolo[1,2-b:1',2'-g][2,6]naphthyridine-5,11-dione","","- C42 H46 N4 O6 -","- C42 H46 N4 O6 -","- C84 H92 N8 O12 -","2","0.5","","Sadowski, Bartłomiej; Kaliszewska, Marzena; Poronik, Yevgen M.; Czichy, Małgorzata; Janasik, Patryk; Banasiewicz, Marzena; Mierzwa, Dominik; Gadomski, Wojciech; Lohrey, Trevor D.; Clark, John A.; Łapkowski, Mieczysław; Kozankiewicz, Bolesław; Vullev, Valentine I.; Sobolewski, Andrzej L.; Piatkowski, Piotr; Gryko, Daniel T.","Potent strategy towards strongly emissive nitroaromatics through a weakly electron-deficient core","Chemical Science","2021","","","","","10.1039/D1SC03670J","","","1.54178","CuKα","","0.1135","0.0821","","","0.2441","0.2792","","","","","","1.037","","","","has coordinates","269407","2021-09-30","22:18:46",""
"1564785","4.2829","0.0004","27.29","0.002","14.9334","0.0013","90","","91.466","0.004","90","","1744.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6,12-Diheptyl-3,9-bis(3-nitrophenyl)-5H,11H-dipyrrolo[1,2-b:1',2'-g][2,6]naphthyridine-5,11-dione","","- C40 H42 N4 O6 -","- C40 H42 N4 O6 -","- C80 H84 N8 O12 -","2","0.5","","Sadowski, Bartłomiej; Kaliszewska, Marzena; Poronik, Yevgen M.; Czichy, Małgorzata; Janasik, Patryk; Banasiewicz, Marzena; Mierzwa, Dominik; Gadomski, Wojciech; Lohrey, Trevor D.; Clark, John A.; Łapkowski, Mieczysław; Kozankiewicz, Bolesław; Vullev, Valentine I.; Sobolewski, Andrzej L.; Piatkowski, Piotr; Gryko, Daniel T.","Potent strategy towards strongly emissive nitroaromatics through a weakly electron-deficient core","Chemical Science","2021","","","","","10.1039/D1SC03670J","","","0.7288","synchrotron","","0.0804","0.058","","","0.1482","0.1615","","","","","","1.068","","","","has coordinates","269407","2021-09-30","22:18:46",""
"1564786","20.2119","0.0012","7.9865","0.0004","28.5833","0.0019","90","","99.59","0.006","90","","4549.5","0.5","99.98","0.1","99.98","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C28 H18 Br N3 O -","- C28 H18 Br N3 O -","- C224 H144 Br8 N24 O8 -","8","2","","Qiu, Shaotong; Gao, Xiang; Zhu, Shifa","Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks","Chemical Science","2021","","","","","10.1039/D1SC04961E","","x-ray","1.54184","CuKα","","0.0456","0.0447","","","0.1145","0.116","","","","","","1.056","","","","has coordinates","269408","2021-09-30","22:19:39",""
"1564787","7.00919","0.00018","14.8084","0.0003","13.4349","0.0003","90","","92.747","0.002","90","","1392.87","0.06","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H25 Br N2 O5 -","- C35 H25 Br N2 O5 -","- C70 H50 Br2 N4 O10 -","2","1","","Qiu, Shaotong; Gao, Xiang; Zhu, Shifa","Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks","Chemical Science","2021","","","","","10.1039/D1SC04961E","","x-ray","1.54184","CuKα","","0.0281","0.0273","","","0.0681","0.0685","","","","","","1.027","","","","has coordinates","269408","2021-09-30","22:19:40",""
"1564788","8.9824","0.0012","10.3845","0.0011","15.312","0.002","90","","92.079","0.013","90","","1427.3","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H23 Br N2 O5 -","- C35 H23 Br N2 O5 -","- C70 H46 Br2 N4 O10 -","2","1","","Qiu, Shaotong; Gao, Xiang; Zhu, Shifa","Dirhodium(II)-Catalysed Cycloisomerization of Azaenyne: Rapid Assembly of Centrally and Axially Chiral Isoindazoles Frameworks","Chemical Science","2021","","","","","10.1039/D1SC04961E","","x-ray","0.71073","MoKα","","0.1301","0.0849","","","0.1807","0.2153","","","","","","1.037","","","","has coordinates,has disorder","269408","2021-09-30","22:19:40",""
"1564789","7.2195","0.0003","22.5222","0.001","15.7802","0.0007","90","","90","","90","","2565.85","0.19","298","2","298","2","","","","","","","","5","C m m m","-C 2 2","65","","In(tcpp)","","- C16 H9 In N O5 -","- C16 H8 In N O5 -","- C64 H32 In4 N4 O20 -","4","0.25","","YIN, HUAQING; Tan, Kui; Jensen, Stephanie; Teat, Simon; Ullah, Saif; Hei, Xiuze; Velasco, Ever; Oyekan, Kolade; Meyer, Noah; Wang, Xin-Yao; Thonhauser, Timo; Yin, Xue-Bo; Li, Jing","Switchable sensor and scavenger: detection and removal of fluorinated chemical species by luminescent metal-organic framework","Chemical Science","2021","","","","","10.1039/D1SC04070G","","","0.7288","synchrotron","","0.0394","0.0337","","","0.0879","0.0942","","","","","","1.1","","","","has coordinates","269409","2021-09-30","22:20:33",""
"1564790","7.1852","0.0002","22.1619","0.0007","16.1168","0.0005","90","","90","","90","","2566.4","0.13","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C34 H20 In2 O10 -","- C34 H18 In2 O10 -","- C68 H36 In4 O20 -","2","0.125","","YIN, HUAQING; Tan, Kui; Jensen, Stephanie; Teat, Simon; Ullah, Saif; Hei, Xiuze; Velasco, Ever; Oyekan, Kolade; Meyer, Noah; Wang, Xin-Yao; Thonhauser, Timo; Yin, Xue-Bo; Li, Jing","Switchable sensor and scavenger: detection and removal of fluorinated chemical species by luminescent metal-organic framework","Chemical Science","2021","","","","","10.1039/D1SC04070G","","","1.54184","CuKα","","0.0503","0.0463","","","0.1688","0.1742","","","","","","1.32","","","","has coordinates","269409","2021-09-30","22:20:33",""
"1564791","17.1405","0.0008","8.3052","0.0004","18.5156","0.0008","90","","102.347","0.004","90","","2574.8","0.2","295","2","295","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","","- C15 H16 N O1.5 -","- C15 H16 N O1.5 -","- C120 H128 N8 O12 -","8","1","XU4045","Diop, Aboubacar; Diop, Tidiane; Diop, Cheikh Abdou Khadre; Tumanov, Nikolay; Ennio, Zangrando; Sidibé, Mamadou","(3<i>E</i>)-4-[(Naphthalen-1-yl)amino]pent-3-en-2-one hemihydrate","IUCrData","2021","6","9","x210989","","10.1107/S2414314621009895","","","0.71073","MoKα","","0.0568","0.0432","","","0.1123","0.1225","","","","","","1.049","","","","has coordinates,has Fobs","269420","2021-10-01","02:18:57",""
"1564792","7.7386","0.0002","11.0939","0.0002","11.2012","0.0003","102.235","0.002","107.273","0.002","99.656","0.002","869.57","0.04","297.46","0.12","297.46","0.12","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 Cl N4 O2 S -","- C17 H15 Cl N4 O2 S -","- C34 H30 Cl2 N8 O4 S2 -","2","1","","Guan, Zhipeng; Zhu, Shuxiang; Yang, Yankai; Liu, Yanlong; Wang, Siyuan; Bu, Faxiang; Cong, Hengjiang; Alhumade, Hesham; Zhang, Heng; Lei, Aiwen","Electrochemically Selective Double C(sp2)-X (X=S/Se, N) Bonds Formation of One Carbon","Chemical Science","2021","","","","","10.1039/D1SC04475C","","x-ray","1.54184","CuKα","","0.0384","0.0312","","","0.0877","0.0917","","","","","","1.096","","","","has coordinates","269438","2021-10-01","22:15:17",""
"1564793","16.1712","0.0004","16.1712","0.0004","24.9066","0.0007","90","","90","","120","","5640.7","0.3","293","2","293","2","","","","","","","","8","P -3 m 1","-P 3 2""","164","","","","- C12 H12 Cr6 K7.5 Nb3 O106 P2 W15 -","- C12 H12 Cr6 K7.5 Nb3 O106 P2 W15 -","- C24 H24 Cr12 K15 Nb6 O211.999 P4 W30 -","2","0.166667","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71073","MoKα","","0.0647","0.0454","","","0.0883","0.0944","","","","","","1.076","","","","has coordinates,has disorder","271182","2021-12-07","03:23:52",""
"1564794","15.8474","0.0003","15.8474","0.0003","21.4754","0.0006","90","","90","","120","","4670.76","0.18","173.15","","173.15","","","","","","","","","8","P 63/m m c","-P 6c 2c","194","","PIC 2","","- C12 H12 Cr6 K2 Nb O104.5 P2 W17 -","- C18 H12 Cr6 K1.9998 Nb1.0002 O106 P2 W16.9998 -","- C36 H24 Cr12 K3.9996 Nb2.0004 O212 P4 W33.9996 -","2","0.0833333","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71075","MoKα","","0.0833","0.0736","","","0.1791","0.1832","","","","","","1.23","","","","has coordinates","271182","2021-12-07","03:23:53",""
"1564795","15.8007","0.0002","26.937","0.0004","29.2946","0.0006","90","","96.5576","0.0016","90","","12386.9","0.4","153.15","","153.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","PIC 1","","- C12 H12 Cr6 K4 N Nb O105.5 P2 W17 -","- C12 H12 Cr6 K4 N Nb1.0002 O105.5 P2 W16.9998 -","- C48 H48 Cr24 K16 N4 Nb4.0008 O422 P8 W67.9992 -","4","1","","Weng, Zhewei; Ogiwara, Naoki; Kitao, Takashi; Kikukawa, Yuji; Gao, Yu; Yan, Likai; Uchida, Sayaka","Incorporating highly basic polyoxometalate anions comprising Nb or Ta into nanoscale reaction fields of porous ionic crystals.","Nanoscale","2021","13","44","18451","18457","10.1039/d1nr04762k","","x-ray","0.71073","MoKα","","0.0732","0.0589","","","0.1522","0.1608","","","","","","1.04","","","","has coordinates","271182","2021-12-07","03:23:53",""
"1564796","12.4956","0.0003","12.4956","0.0003","9.2644","0.0002","90","","90","","120","","1252.74","0.05","","","298","","","","100","","","","","4","R -3 :H","-R 3","148","Sr3Y(BO3)3","","","- B3 O9 Sr3 Y -","- B3 O9 Sr3.3155 Y0.6869 -","- B18 O54 Sr19.893 Y4.1214 -","6","0.333333","","Simura, R.; Yamane, H.; Sakamura, T.; Sugiyama, K.","In-house-built single-crystal anomalous X-ray diffraction measurement system using white X-rays and an energy dispersive detector","Journal of the Ceramic Society of Japan","2021","129","","594","600","10.2109/jcersj2.21046","","","","","","","","","","","","","","","","","","","","","has coordinates","269514","2021-10-03","23:28:05",""
"1564797","7.6632","0.0002","12.1003","0.0003","21.8916","0.0006","90","","94.348","0.002","90","","2024.1","0.09","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","2","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0714","0.0583","","","0.1575","0.1739","","","","","","1.08","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564798","6.7959","0.0001","36.5395","0.0005","8.7513","0.0001","90","","98.87","0.002","90","","2147.12","0.05","102","4","102","4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl O4 -","- C23 H31 Cl O4 -","- C92 H124 Cl4 O16 -","4","2","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.054","0.0479","","","0.1279","0.131","","","","","","1.056","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564799","11.4588","0.0001","11.4588","0.0001","28.4455","0.0002","90","","90","","120","","3234.61","0.05","108","3","108","3","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C23 H33 Cl O5 -","- C23 H33 Cl O5 -","- C138 H198 Cl6 O30 -","6","1","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0302","0.0299","","","0.0793","0.0798","","","","","","1.052","","","","has coordinates","269517","2021-10-03","23:46:14",""
"1564800","15.1437","0.0004","17.4925","0.0005","19.3925","0.0005","105.337","0.002","92.858","0.002","113.621","0.003","4467.9","0.2","100","1","100","1","","","","","","","","4","P 1","P 1","1","","","","- C23 H31 Cl O5 -","- C23 H31 Cl O5 -","- C184 H248 Cl8 O40 -","8","8","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.1896","0.0632","","","0.1789","0.2678","","","","","","0.868","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564801","24.8351","0.0009","7.171","0.0002","25.5947","0.0009","90","","93.822","0.004","90","","4548.1","0.3","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H29 Cl O5 -","- C23 H29 Cl O5 -","- C184 H232 Cl8 O40 -","8","4","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0613","0.0466","","","0.1133","0.1194","","","","","","0.949","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564802","6.1316","0.0002","11.209","0.0003","16.0507","0.0003","90.884","0.002","100.853","0.002","93.813","0.003","1080.58","0.05","99.9","0.8","99.9","0.8","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 Cl O5 -","- C23 H29 Cl O5 -","- C46 H58 Cl2 O10 -","2","2","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.0647","0.0527","","","0.1373","0.1462","","","","","","1.051","","","","has coordinates","269521","2021-10-03","23:47:19",""
"1564803","7.1951","0.0002","40.1443","0.0012","15.3671","0.0004","90","","96.963","0.002","90","","4405.9","0.2","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H31 Cl O4 -","- C23 H31 Cl O4 -","- C184 H248 Cl8 O32 -","8","4","","Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong","Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.","Journal of medicinal chemistry","2021","64","18","13918","13932","10.1021/acs.jmedchem.1c01402","","x-ray","1.54184","CuKα","","0.1034","0.0932","","","0.2455","0.2528","","","","","","1.069","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1564804","11.89568","0.00005","7.73002","0.00003","16.47814","0.00008","90","","100.404","0.0004","90","","1490.31","0.011","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H48 O7 -","- C31 H48 O7 -","- C62 H96 O14 -","2","1","","Liu, Mengting; Gu, Lianghu; Shen, Ling; Zhang, Xueke; Lin, Shuang; Ye, Ying; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaquinones A-J, Immunosuppressive Meroterpenoids from a Soil-Derived <i>Bipolaris zeicola</i>.","Journal of natural products","2021","84","9","2427","2436","10.1021/acs.jnatprod.1c00327","","x-ray","1.54184","CuKα","","0.0429","0.0426","","","0.1023","0.1025","","","","","","1.043","","","","has coordinates","269523","2021-10-03","23:51:03",""
"1564805","11.2607","0.0001","10.247","0.0001","13.0776","0.0002","90","","111.947","0.001","90","","1399.65","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H44 O6 -","- C30 H44 O6 -","- C60 H88 O12 -","2","1","","Liu, Mengting; Gu, Lianghu; Shen, Ling; Zhang, Xueke; Lin, Shuang; Ye, Ying; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaquinones A-J, Immunosuppressive Meroterpenoids from a Soil-Derived <i>Bipolaris zeicola</i>.","Journal of natural products","2021","84","9","2427","2436","10.1021/acs.jnatprod.1c00327","","x-ray","1.54184","CuKα","","0.0265","0.0263","","","0.0685","0.0686","","","","","","1.06","","","","has coordinates","269524","2021-10-03","23:51:34",""
"1564806","10.5497","0.0014","17.112","0.002","12.0241","0.0016","90","","100.401","0.006","90","","2135","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Dy2 N6 O18 -","- C40 H32 Dy2 N6 O18 -","- C80 H64 Dy4 N12 O36 -","2","0.5","","Dolai, Malay; Moreno-Pineda, Eufemio; Wernsdorfer, Wolfgang; Ali, Mahammad; Ghosh, Ashutosh","Exchange-Bias Quantum Tunneling of the Magnetization in a Dysprosium Dimer.","The journal of physical chemistry. A","2021","125","37","8230","8237","10.1021/acs.jpca.1c05991","","","0.71073","MoKα","","0.0794","0.0613","","","0.1511","0.1667","","","","","","1.098","","","","has coordinates","269525","2021-10-04","00:48:16",""
"1564807","14.8483","0.001","26.8994","0.0018","9.0681","0.0006","90","","97.531","0.001","90","","3590.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 I2 N4 O2 -","- C41 H36 I2 N4 O2 -","- C164 H144 I8 N16 O8 -","4","1","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.057","0.0468","","","0.1038","0.1079","","","","","","1.195","","","","has coordinates","269526","2021-10-04","01:24:28",""
"1564808","18.4725","0.0012","19.8765","0.0013","8.9785","0.0006","90","","90","","90","","3296.6","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C39 H32 Cl2 N4 O -","- C39 H32 Cl2 N4 O -","- C156 H128 Cl8 N16 O4 -","4","0.5","","Hossain, Muhammad Saddam; Sindt, Ammon J.; Goodlett, Dustin W.; Shields, Dylan J.; O’Connor, Colin J.; Antevska, Aleksandra; Karakalos, Stavros G.; Smith, Mark D.; Garashchuk, Sophya; Do, Thanh D.; Gudmundsdottir, Anna D.; Shimizu, Linda S.","Effects of Self-Assembly on the Photogeneration of Radical Cations in Halogenated Triphenylamines","The Journal of Physical Chemistry C","2021","125","36","19991","20002","10.1021/acs.jpcc.1c04933","","x-ray","0.71073","MoKα","","0.0562","0.0418","","","0.1028","0.1131","","","","","","1.033","","","","has coordinates,has disorder","269527","2021-10-04","01:24:55",""
"1564809","8.503","0.003","12.437","0.005","14.17","0.006","105.555","0.009","98.36","0.011","90.075","0.008","1427","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 I N5 O8 Ru S3 -","- C19 H16 I0.941 N5 O8 Ru S3 -","- C38 H32 I1.882 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.1774","0.1146","","","0.2884","0.3406","","","","","","1.043","","","","has coordinates,has disorder","269528","2021-10-04","01:25:21",""
"1564810","8.4103","0.0018","12.454","0.003","14.17","0.003","105.337","0.005","98.52","0.005","90.33","0.004","1414","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 I N5 O8 Ru S3 -","- C19 H16 I0.954 N5 O8 Ru S3 -","- C38 H32 I1.908 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.1476","0.0907","","","0.2279","0.2791","","","","","","1.046","","","","has coordinates,has disorder","269529","2021-10-04","01:25:45",""
"1564811","8.3091","0.001","12.5928","0.0016","13.8952","0.0018","99.446","0.003","97.962","0.003","90.617","0.003","1419.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 I N5 O8 Ru S3 -","- C19 H12 I0.953 N5 O8 Ru S3 -","- C38 H24 I1.906 N10 O16 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; de J. Velazquez-Garcia, Jose; Wang, SuYin Grass; Chen, Yu-Sheng","Single-Crystal Optical Actuation Generated by 100% SO2 Linkage Photoisomerization in a Ruthenium-Based Coordination Complex","The Journal of Physical Chemistry C","2021","125","36","20059","20066","10.1021/acs.jpcc.1c05903","","","0.41328","synchrotron","","0.2732","0.1111","","","0.2666","0.3471","","","","","","1.025","","","","has coordinates,has disorder","269530","2021-10-04","01:26:13",""
"1564812","8.6365","0.0009","19.96","0.002","16.4399","0.0017","90","","96.579","0.004","90","","2815.3","0.5","170","2","169.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 B F6 P -","- C30 H36 B F6 P -","- C120 H144 B4 F24 P4 -","4","1","","Zhang, Zhen-Hua; Wang, Xing; Wang, Xiao-Jun; Li, Yuesheng; Hong, Miao","Tris(2,4-difluorophenyl)borane/Triisobutylphosphine Lewis Pair: A Thermostable and Air/Moisture-Tolerant Organic Catalyst for the Living Polymerization of Acrylates","Macromolecules","2021","54","18","8495","8502","10.1021/acs.macromol.1c01356","","","1.34139","GaKα","","0.0368","0.0357","","","0.0962","0.097","","","","","","1.059","","","","has coordinates","269537","2021-10-04","01:57:40",""
"1564813","13.6831","0.0004","14.4983","0.0003","16.1583","0.0004","86.515","0.002","79.139","0.002","70.937","0.002","2975.45","0.14","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C104 H176 N8 O14 Si6 Zn6 -","- C104 H176 N8 O14 Si6 Zn6 -","- C104 H176 N8 O14 Si6 Zn6 -","1","0.5","","Payne, Jack M.; Kociok-Köhn, Gabriele; Emanuelsson, Emma A. C.; Jones, Matthew D.","Zn(II)- and Mg(II)-Complexes of a Tridentate {ONN} Ligand: Application to Poly(lactic acid) Production and Chemical Upcycling of Polyesters","Macromolecules","2021","54","18","8453","8469","10.1021/acs.macromol.1c01207","","x-ray","1.54184","CuKα","","0.0537","0.0434","","","0.1142","0.1202","","","","","","1.098","","","","has coordinates,has disorder","269538","2021-10-04","01:57:58",""
"1564837","10.692","0.003","16.314","0.004","16.162","0.004","90","","106.363","0.003","90","","2704.9","1.2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(PBP)RhPyH","","- C29 H41 B N P2 Rh -","- C29 H41 B N P2 Rh -","- C116 H164 B4 N4 P8 Rh4 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit","Chemical Science","2021","","","","","10.1039/D1SC01850G","","","0.71073","MoKα","","0.0307","0.0248","","","0.058","0.0609","","","","","","1.029","","","","has coordinates","269796","2021-10-06","22:15:26",""
"1564838","10.3663","0.0014","11.447","0.0016","15.962","0.002","69.548","0.002","86.91","0.002","85.175","0.002","1767.8","0.4","110","","110","","","","","","","","","6","P -1","-P 1","2","","(PBP)RhQuH","","- C40 H51 B N P2 Rh -","- C40 H51 B N P2 Rh -","- C80 H102 B2 N2 P4 Rh2 -","2","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit","Chemical Science","2021","","","","","10.1039/D1SC01850G","","","0.71073","MoKα","","0.0303","0.0255","","","0.0583","0.0611","","","","","","1.047","","","","has coordinates","269796","2021-10-06","22:15:27",""
"1564839","11.2163","0.0011","11.2163","0.0011","22.862","0.003","90","","90","","90","","2876.2","0.5","110","","110","","","","","","","","","7","P 43","P 4cw","78","","(PBP)RhPyBr","","- C29 H40 B Br N P2 Rh -","- C29 H40 B Br N P2 Rh -","- C116 H160 B4 Br4 N4 P8 Rh4 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit","Chemical Science","2021","","","","","10.1039/D1SC01850G","","","0.71073","MoKα","","0.0287","0.0243","","","0.0464","0.0478","","","","","","1","","","","has coordinates,has disorder","269796","2021-10-06","22:15:27",""
"1564840","11.8373","0.0004","17.7095","0.0006","18.0512","0.0006","117.239","0.002","90.452","0.002","92.091","0.002","3361","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H47 B Ir N P2 -","- C36.5 H47 B Ir N P2 -","- C146 H188 B4 Ir4 N4 P8 -","4","2","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit","Chemical Science","2021","","","","","10.1039/D1SC01850G","","","0.71073","MoKα","","0.0248","0.0183","","","0.0382","0.0411","","","","","","1.035","","","","has coordinates,has disorder","269796","2021-10-06","22:15:27",""
"1564841","12.2321","0.0004","14.4054","0.0004","16.5537","0.0005","90","","98.051","0.001","90","","2888.15","0.15","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 B N O P2 Rh -","- C30 H41 B N O P2 Rh -","- C120 H164 B4 N4 O4 P8 Rh4 -","4","1","","Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit","Chemical Science","2021","","","","","10.1039/D1SC01850G","","","0.71073","MoKα","","0.0202","0.0185","","","0.0451","0.0466","","","","","","1.092","","","","has coordinates","269796","2021-10-06","22:15:27",""
"1564842","20.2684","0.0004","9.7474","0.0002","32.7825","0.0007","90","","91.016","0.001","90","","6475.6","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl F3 N7 O3 Ru S -","- C33 H25 Cl F3 N7 O3 Ru S -","- C264 H200 Cl8 F24 N56 O24 Ru8 S8 -","8","2","","Han, Jingqi; Cheng, Shun-Cheung; Yiu, Shek-Man; Tse, Man-Kit; Ko, Chi-Chiu","Luminescent Monomeric and Dimeric Ru(II) Acyclic Carbene Complexes as Selective Sensors for NH3/Amine Vapor and Humidity","Chemical Science","2021","","","","","10.1039/D1SC04074J","","","1.54178","CuKα","","0.0471","0.0339","","","0.0792","0.0854","","","","","","1.027","","","","has coordinates","269797","2021-10-06","22:17:04",""
"1564843","10.863","0.0005","11.2065","0.0005","16.9747","0.0008","84.795","0.001","85.957","0.002","63.49","0.001","1840.49","0.15","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H33 Cl F3 N7 O3 Ru S -","- C37 H33 Cl F3 N7 O3 Ru S -","- C74 H66 Cl2 F6 N14 O6 Ru2 S2 -","2","1","","Han, Jingqi; Cheng, Shun-Cheung; Yiu, Shek-Man; Tse, Man-Kit; Ko, Chi-Chiu","Luminescent Monomeric and Dimeric Ru(II) Acyclic Carbene Complexes as Selective Sensors for NH3/Amine Vapor and Humidity","Chemical Science","2021","","","","","10.1039/D1SC04074J","","","0.71073","MoKα","","0.0641","0.046","","","0.1021","0.1136","","","","","","1.033","","","","has coordinates","269797","2021-10-06","22:17:04",""
"1564844","9.1118","0.0002","45.0472","0.0012","10.0818","0.0003","90","","93.415","0.001","90","","4130.84","0.19","213","2","213","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H38 Cl F6 N7 O3 Ru S -","- C40 H38 Cl F6 N7 O3 Ru S -","- C160 H152 Cl4 F24 N28 O12 Ru4 S4 -","4","1","","Han, Jingqi; Cheng, Shun-Cheung; Yiu, Shek-Man; Tse, Man-Kit; Ko, Chi-Chiu","Luminescent Monomeric and Dimeric Ru(II) Acyclic Carbene Complexes as Selective Sensors for NH3/Amine Vapor and Humidity","Chemical Science","2021","","","","","10.1039/D1SC04074J","","","1.54178","CuKα","","0.0248","0.0237","","","0.0567","0.0572","","","","","","1.014","","","","has coordinates","269797","2021-10-06","22:17:05",""
"1564848","23.4161","0.0003","13.2985","0.0001","7.2391","0.0001","90","","90","","90","","2254.25","0.05","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H22 Cu N4 O10 S2 -","- C17 H22 Cu N4 O10 S2 -","- C68 H88 Cu4 N16 O40 S8 -","4","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0322","0.0321","","","0.0821","0.0822","","","","","","1.031","","","","has coordinates","269810","2021-10-06","23:45:26",""
"1564849","11.5109","0.0001","21.0713","0.0002","20.3473","0.0003","90","","98.719","0.001","90","","4878.2","0.1","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H24 Cu N2 O8 S2 -","- C22 H24 Cu N2 O8 S2 -","- C176 H192 Cu8 N16 O64 S16 -","8","1","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0309","0.0296","","","0.0851","0.0861","","","","","","1.06","","","","has coordinates","269811","2021-10-06","23:45:48",""
"1564850","8.3226","0.0001","16.3127","0.0002","7.228","0.0001","90","","100.912","0.001","90","","963.56","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N2 O12 S2 -","- C14 H20 Cu N2 O12 S2 -","- C28 H40 Cu2 N4 O24 S4 -","2","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0256","0.0254","","","0.0706","0.0707","","","","","","1.076","","","","has coordinates","269812","2021-10-06","23:46:09",""
"1564851","7.141","0.0001","23.8599","0.0004","12.48922","0.00019","90","","90","","90","","2127.96","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H18 Cu N4 O8 S2 -","- C17 H18 Cu N4 O8 S2 -","- C68 H72 Cu4 N16 O32 S8 -","4","0.5","","Toikka, Yulia N.; Spiridonova, Dar’ya V.; Novikov, Alexander S.; Bokach, Nadezhda A.","Copper(II) Prevents the Saccarine-Dialkylcyanamide Coupling by Forming Mononuclear (Saccharinate)(Dialkylcyanamide)copper(II) Complexes","Inorganics","2021","9","9","69","","10.3390/inorganics9090069","","x-ray","1.54184","CuKα","","0.0357","0.0338","","","0.0929","0.0951","","","","","","1.05","","","","has coordinates","269813","2021-10-06","23:46:30",""
"1564852","9.62321","0.00017","5.73648","0.0001","45.1254","0.0008","90","","91.229","0.006","90","","2490.5","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 O3 Se2 -","- C30 H24 O3 Se2 -","- C120 H96 O12 Se8 -","4","1","","Kodama, Shintaro; Hung, Vu Thai; Saeki, Tomokazu; Mihara, Kei; Yamamoto, Yuki; Sonoda, Motohiro; Nomoto, Akihiro; Ogawa, Akiya","2,2-Bis(phenylselanyl)-1-(p-tolyl)vinyl 2-Oxo-2-(p-tolyl)acetate","Molbank","2021","2021","4","M1283","","10.3390/M1283","","","0.71075","MoKα","","0.0308","0.0264","","","0.0652","0.0672","","","","","","1.054","","","","has coordinates","269816","2021-10-07","04:41:33",""
"1564853","13.297","0.008","5.033","0.003","13.789","0.009","90","","90","","90","","922.8","1","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C9 H11 Br O2 -","- C9 H11 Br O2 -","- C36 H44 Br4 O8 -","4","1","","Aitken, R. Alan; Saab, Elizabeth A.; Slawin, Alexandra M. Z.","2,6-Dimethoxybenzyl Bromide","Molbank","2021","2021","3","M1277","","10.3390/M1277","","","0.71075","MoKα","","0.0281","0.0269","","","0.0654","0.0658","","","","","","1.084","","","","has coordinates","269817","2021-10-07","04:41:56",""
"1564888","7.4472","0.0003","9.0684","0.0004","14.4362","0.0008","74.215","0.004","89.828","0.004","68.877","0.004","870.22","0.08","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F2 O Si -","- C21 H18 F2 O Si -","- C42 H36 F4 O2 Si2 -","2","1","","Qin, Ying; Li, Lianghui; Liang, Jin-Yuan; Li, Kailong; Zhao, Dongbing","Silacyclization through Palladium-Catalyzed Intermolecular Silicon-Based C(sp2)−C(sp3) Cross-Coupling","Chemical Science","2021","","","","","10.1039/D1SC04180K","","x-ray","0.71073","MoKα","","0.0494","0.0413","","","0.1034","0.1088","","","","","","1.032","","","","has coordinates","269855","2021-10-07","22:11:37",""
"1564889","4.4474","0.0004","5.4287","0.0004","3.3852","0.0003","90","","90","","90","","81.731","0.012","160","1","160","1","","","","","","","","2","P n n m","-P 2 2n","58","","Marcasite","","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O.","Synthetic control over polymorph formation in the d-band semiconductor system FeS2","Chemical Science","2021","","","","","10.1039/D1SC03026D","","x-ray","0.71073","MoKα","","0.0266","0.0253","","","0.0631","0.0638","","","","","","1.187","","","","has coordinates","269866","2021-10-08","22:09:43",""
"1564890","5.41027","0.00015","5.41027","0.00015","5.41027","0.00015","90","","90","","90","","158.364","0.008","160","1","160","1","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Pyrite","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","0.166667","","Ma, KeYuan; Lefèvre, Robin; Li, Qingtian; Lago, Jorge; Blacque, Olivier; Yang, Wanli; von Rohr, Fabian O.","Synthetic control over polymorph formation in the d-band semiconductor system FeS2","Chemical Science","2021","","","","","10.1039/D1SC03026D","","x-ray","1.54184","CuKα","","0.0183","0.0183","","","0.0444","0.0444","","","","","","1.32","","","","has coordinates","269866","2021-10-08","22:09:44",""
"1564891","13.4173","0.0007","15.6707","0.0007","18.5278","0.0008","84.761","0.004","70.245","0.004","89.96","0.004","3649.1","0.3","298","","298","","","","","","","","","8","P -1","-P 1","2","","","","- C67 H58 B Cl2 F29 N P Pd -","- C67 H58 B Cl2 F29 N P Pd -","- C134 H116 B2 Cl4 F58 N2 P2 Pd2 -","2","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C.","Highly efficient vinylic addition polymerization of 5-vinyl-2-norbornene using benzylic palladium complexes as precatalysts","Polymer Chemistry","2021","12","41","5963","5969","10.1039/D1PY01165K","","","0.71073","MoKα","","0.091","0.0506","","","0.1067","0.1345","","","","","","1.013","","","","has coordinates,has disorder","270516","2021-11-06","20:48:52",""
"1564892","10.3004","0.0006","13.2588","0.0007","16.2684","0.0014","109.041","0.006","91.911","0.006","107.037","0.005","1987.5","0.3","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H44 B F9 N P Pd -","- C34 H44 B F9 N P Pd -","- C68 H88 B2 F18 N2 P2 Pd2 -","2","1","","Pérez-Ortega, Ignacio; Albéniz, Ana C.","Highly efficient vinylic addition polymerization of 5-vinyl-2-norbornene using benzylic palladium complexes as precatalysts","Polymer Chemistry","2021","12","41","5963","5969","10.1039/D1PY01165K","","","0.71073","MoKα","","0.0965","0.0547","","","0.098","0.1218","","","","","","1.005","","","","has coordinates,has disorder","270516","2021-11-06","20:48:52",""
"1564893","9.967","0.0006","12.1691","0.0006","19.6141","0.001","99.995","0.002","100.207","0.002","92.367","0.002","2299.4","0.2","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H57 Cl2 N8 O5 Os -","- C41 H57 Cl2 N8 O5 Os -","- C82 H114 Cl4 N16 O10 Os2 -","2","1","","Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung","Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex","Chemical Science","2021","","","","","10.1039/D1SC04369B","","","0.71073","MoKα","","0.0511","0.039","","","0.0907","0.0979","","","","","","1.019","","","","has coordinates,has disorder","269879","2021-10-09","22:13:39",""
"1564894","7.541","0.004","16.41","0.009","17.308","0.01","108.857","0.01","93.523","0.01","91.599","0.009","2020.5","1.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H36 N7 O4 Os P -","- C45 H36 N7 O4 Os P -","- C90 H72 N14 O8 Os2 P2 -","2","1","","Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung","Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex","Chemical Science","2021","","","","","10.1039/D1SC04369B","","","0.71073","MoKα","","0.0625","0.046","","","0.1258","0.1823","","","","","","1.184","","","","has coordinates","269879","2021-10-09","22:13:39",""
"1564895","31.9083","0.0016","7.4874","0.0003","32.008","0.0015","90","","94.356","0.003","90","","7624.9","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H30 N6 O4 Os P -","- C42 H30 N6 O4 Os P -","- C336 H240 N48 O32 Os8 P8 -","8","1","","Lau, Tai-Chu; Xiang, Jing; Ming, Peng; Yi, PAN; Luo, Li-Juan; Cheng, Shun-Cheung; Jin, XinXin; Yiu, Shek-Man; Man, Wai-Lun; Ko, Chi-Chiu; LAU, Kai Chung","Visible Light-Induced Oxidative N-dealkylation of Alkylamines by a Luminescent Osmium(VI) Nitrido Complex","Chemical Science","2021","","","","","10.1039/D1SC04369B","","","0.71073","MoKα","","0.0392","0.0345","","","0.087","0.0919","","","","","","0.731","","","","has coordinates","269879","2021-10-09","22:13:40",""
"1564896","22.6705","0.0003","10.5061","0.0002","19.7987","0.0003","90","","90.4215","0.0013","90","","4715.5","0.13","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Cl2 Fe N2 Ni2 P2 -","- C56 H48 Cl2 Fe N2 Ni2 P2 -","- C224 H192 Cl8 Fe4 N8 Ni8 P8 -","4","0.5","","Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James","Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles","Chemical Science","2021","","","","","10.1039/D1SC04582B","","","1.54184","CuKα","","0.0372","0.0343","","","0.0898","0.092","","","","","","1.039","","","","has coordinates","269887","2021-10-11","22:12:25",""
"1564897","12.7154","0.0001","17.1989","0.0002","20.6947","0.0002","90","","95.54","0.001","90","","4504.6","0.08","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Br2 Cl4 Fe N2 Ni2 P2 -","- C46 H40 Br2 Cl4 Fe N2 Ni2 P2 -","- C184 H160 Br8 Cl16 Fe4 N8 Ni8 P8 -","4","1","","Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James","Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles","Chemical Science","2021","","","","","10.1039/D1SC04582B","","","1.54184","CuKα","","0.0509","0.0455","","","0.1196","0.1255","","","","","","1.016","","","","has coordinates,has disorder","269887","2021-10-11","22:12:26",""
"1564898","12.7001","0.0002","12.7903","0.0002","14.1264","0.0002","93.421","0.001","114.03","0.001","116.413","0.002","1793.83","0.07","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C40 H32 F3 Fe N Ni O3 P2 S -","- C40 H32 F3 Fe N Ni O3 P2 S -","- C80 H64 F6 Fe2 N2 Ni2 O6 P4 S2 -","2","1","","Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James","Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles","Chemical Science","2021","","","","","10.1039/D1SC04582B","","","1.54184","CuKα","","0.0296","0.0289","","","0.0741","0.0744","","","","","","1.047","","","","has coordinates,has disorder","269887","2021-10-11","22:12:26",""
"1564899","23.0991","0.0003","10.3327","0.0001","18.9251","0.0003","90","","106.38","0.001","90","","4333.64","0.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Cl2 Fe N2 Ni2 P2 -","- C52 H40 Cl2 Fe N2 Ni2 P2 -","- C208 H160 Cl8 Fe4 N8 Ni8 P8 -","4","0.5","","Cooper, Alasdair K.; Greaves, Megan E.; Donohoe, William; Burton, Paul Matthew; Ronson, Thomas Oliver; Kennedy, Alan; Nelson, David James","Inhibition of (dppf)nickel-catalysed Suzuki-Miyaura cross-coupling reactions by α-halo-N-heterocycles","Chemical Science","2021","","","","","10.1039/D1SC04582B","","","1.54184","CuKα","","0.0428","0.0408","","","0.1085","0.1098","","","","","","1.054","","","","has coordinates","269887","2021-10-11","22:12:26",""
"1564900","19.1651","0.0009","34.7043","0.0016","8.8821","0.0004","90","","97.583","0.001","90","","5855.9","0.5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 Cu N2 O9 S4 -","- C39 H34 Cu N2 O9 S4 -","- C156 H136 Cu4 N8 O36 S16 -","4","0.5","","Su, Jian; Yuan, Shuai; Cheng, Yi-Xun; Yang, Zhi-Mei; Zuo, Jing-Lin","Coordination-Bond-Directed Synthesis of Hydrogen-bonded Organic Frameworks from Metal–Organic Frameworks as Templates","Chemical Science","2021","","","","","10.1039/D1SC03962H","","","0.71073","MoKα","","0.0739","0.0616","","","0.2022","0.2154","","","","","","1.062","","","","has coordinates","269889","2021-10-11","22:13:49",""
"1564901","18.757","0.004","35.559","0.007","8.899","0.002","90","","101.17","0.03","90","","5823","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 Cu O9 S4 -","- C34 H20 Cu O9 S4 -","- C136 H80 Cu4 O36 S16 -","4","0.5","","Su, Jian; Yuan, Shuai; Cheng, Yi-Xun; Yang, Zhi-Mei; Zuo, Jing-Lin","Coordination-Bond-Directed Synthesis of Hydrogen-bonded Organic Frameworks from Metal–Organic Frameworks as Templates","Chemical Science","2021","","","","","10.1039/D1SC03962H","","","0.71073","MoKα","","0.1728","0.1094","","","0.3075","0.3475","","","","","","0.995","","","","has coordinates,has disorder","269889","2021-10-11","22:13:50",""
"1564902","20.495","0.01","34.798","0.016","8.801","0.005","90","","102.997","0.013","90","","6116","5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C136 H80 O32 S16 -","4","0.5","","Su, Jian; Yuan, Shuai; Cheng, Yi-Xun; Yang, Zhi-Mei; Zuo, Jing-Lin","Coordination-Bond-Directed Synthesis of Hydrogen-bonded Organic Frameworks from Metal–Organic Frameworks as Templates","Chemical Science","2021","","","","","10.1039/D1SC03962H","","","0.71073","MoKα","","0.1327","0.0713","","","0.2039","0.2313","","","","","","0.988","","","","has coordinates","269889","2021-10-11","22:13:50",""
"1564903","15.6119","0.0002","13.3664","0.0002","8.8742","0.0001","90","","98.224","0.001","90","","1832.78","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 N3 O3 -","- C23 H15 N3 O3 -","- C92 H60 N12 O12 -","4","1","","Galukhin, Andrey; Nikolaev, Ilya; Nosov, Roman; Islamov, Daut; Vyazovkin, Sergey","Solvent-induced changes in the reactivity of tricyanate esters undergoing thermal polymerization","Polymer Chemistry","2021","12","42","6179","6187","10.1039/D1PY01088C","","x-ray","1.54184","CuKα","","0.0428","0.0395","","","0.131","0.1355","","","","","","1.093","","","","has coordinates","270517","2021-11-06","20:49:00",""
"1564904","31.961","0.002","12.0016","0.0008","18.5133","0.0013","90","","125.042","0.001","90","","5814.1","0.7","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H64 Br2 Cl4 N2 Ni -","- C64 H64 Br2 Cl4 N2 Ni -","- C256 H256 Br8 Cl16 N8 Ni4 -","4","0.5","","Wang, Beibei; Liu, Heng; Zhang, Chunyu; Tang, Tao; Zhang, Xuequan","Propylene homopolymerization and copolymerization with ethylene by acenaphthene-based α-diimine nickel complexes to access EPR-like elastomers","Polymer Chemistry","2021","12","43","6307","6318","10.1039/D1PY00923K","","","0.71073","MoKα","","0.0686","0.0535","","","0.1523","0.1639","","","","","","1.042","","","","has coordinates","271233","2021-12-07","04:01:52",""
"1564905","29.143","0.004","12.407","0.002","17.891","0.003","90","","119.38","0.004","90","","5637","1.5","207","2","207","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Br N Ni0.5 -","- C31 H24 Br N Ni0.5 -","- C248 H192 Br8 N8 Ni4 -","8","1","","Wang, Beibei; Liu, Heng; Zhang, Chunyu; Tang, Tao; Zhang, Xuequan","Propylene homopolymerization and copolymerization with ethylene by acenaphthene-based α-diimine nickel complexes to access EPR-like elastomers","Polymer Chemistry","2021","12","43","6307","6318","10.1039/D1PY00923K","","","0.71073","MoKα","","0.1023","0.0627","","","0.1689","0.1856","","","","","","1.106","","","","has coordinates","271233","2021-12-07","04:01:52",""
"1564906","9.412","0.005","15.749","0.005","18.441","0.005","100.306","0.005","97.237","0.005","97.345","0.005","2636.1","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","DPSQPO","DPSQPO","","- C60 H48 O5 P4 S -","- C60 H48 O5 P4 S -","- C120 H96 O10 P8 S2 -","2","1","","Xu, Hui; Tian, Yuee; Wang, Huiqin; Man, Yi; Zhang, Jing; Zhang, Nan; Li, Ying; Han, Chunmiao","Weaving host matrixes with intermolecular hydrogen bonds for high-efficiency white thermally activated delayed fluorescence","Chemical Science","2021","","","","","10.1039/D1SC04188F","","","0.71069","MoKα","","0.0479","0.0407","","","0.1166","0.1254","","","","","","1.046","","","","has coordinates","269924","2021-10-13","22:24:53",""
"1564907","16.84","0.006","17.761","0.007","17.961","0.006","72.025","0.008","89.976","0.009","81.696","0.009","5051","3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H46 O6 P4 -","- C60 H45.5 O6 P4 -","- C240 H182 O24 P16 -","4","2","","Xu, Hui; Tian, Yuee; Wang, Huiqin; Man, Yi; Zhang, Jing; Zhang, Nan; Li, Ying; Han, Chunmiao","Weaving host matrixes with intermolecular hydrogen bonds for high-efficiency white thermally activated delayed fluorescence","Chemical Science","2021","","","","","10.1039/D1SC04188F","","","0.71073","MoKα","","0.173","0.1147","","","0.2376","0.2629","","","","","","0.878","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1564908","6.524","0.008","8.428","0.01","13.854","0.015","90","","97.68","0.03","90","","754.9","1.5","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C34 H46 N2 O4 -","2","1","","Bermesheva, Evgeniya V.; Nazarov, Ivan V.; Kataranova, Ksenia D.; Khrychikova, Anna P.; Zarezin, Danil P.; Melnikova, Elizaveta K.; Asachenko, Andrey F.; Topchiy, Maxim A.; Rzhevskiy, Sergey A.; Bermeshev, Maxim V.","Cocatalyst versus precatalyst impact on the vinyl-addition polymerization of norbornenes with polar groups: looking at the other side of the coin","Polymer Chemistry","2021","12","43","6355","6362","10.1039/D1PY01039E","","","0.71073","MoKα","","0.0442","0.0398","","","0.1001","0.104","","","","","","1.033","","","","has coordinates","271234","2021-12-07","04:01:59",""
"1564909","5.4891","0.0001","10.9586","0.0003","24.8426","0.0006","90","","90","","90","","1494.35","0.06","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bermesheva, Evgeniya V.; Nazarov, Ivan V.; Kataranova, Ksenia D.; Khrychikova, Anna P.; Zarezin, Danil P.; Melnikova, Elizaveta K.; Asachenko, Andrey F.; Topchiy, Maxim A.; Rzhevskiy, Sergey A.; Bermeshev, Maxim V.","Cocatalyst versus precatalyst impact on the vinyl-addition polymerization of norbornenes with polar groups: looking at the other side of the coin","Polymer Chemistry","2021","12","43","6355","6362","10.1039/D1PY01039E","","","1.54178","CuKα","","0.0286","0.0278","","","0.0693","0.0699","","","","","","1.059","","","","has coordinates","271234","2021-12-07","04:02:00",""
"1564910","16.3069","0.0011","16.3069","0.0011","52.852","0.004","90","","90","","90","","14054.1","1.7","150","2","150.15","","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C24 H15 Br3 Fe3 O16 -","- C24 Br3 Fe3 O16 -","- C192 Br24 Fe24 O128 -","8","0.25","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.114","0.0843","","","0.248","0.2759","","","","","","1.047","","","","has coordinates,has disorder","271237","2021-12-07","04:03:49",""
"1564911","6.8403","0.0012","10.7142","0.0018","10.7928","0.0018","117.292","0.006","94.188","0.007","103.254","0.006","669.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 Fe O5 -","- C8 H5 Fe O5 -","- C16 H10 Fe2 O10 -","2","1","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0826","0.0599","","","0.1295","0.1366","","","","","","1.04","","","","has coordinates","271237","2021-12-07","04:03:52",""
"1564912","12.6391","0.0008","12.6391","0.0008","18.3551","0.0014","90","","90","","120","","2539.3","0.3","150","","150","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C33 H33 B F4 Fe3 N3 O16 -","- C33 H24 B0.9999 F3.9996 Fe3 N3 O16 -","- C66 H48 B1.9998 F7.9992 Fe6 N6 O32 -","2","0.166667","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0562","0.0551","","","0.1384","0.139","","","","","","1.181","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564913","19.4334","0.0019","7.2431","0.0007","8.7675","0.0009","90","","90","","90","","1234.1","0.2","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Fe N O5 -","- C11 H11 Fe N O5 -","- C44 H44 Fe4 N4 O20 -","4","0.5","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0357","0.0323","","","0.0939","0.0967","","","","","","1.119","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"1564914","13.9105","0.0012","13.9105","0.0012","17.6608","0.0013","90","","90","","120","","2959.6","0.4","150","","150","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C24 H17 Fe3 O16 -","- C24 H12 Fe3 O16 -","- C48 H24 Fe6 O32 -","2","0.0833333","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0437","0.0391","","","0.1176","0.1239","","","","","","1.115","","","","has coordinates","271237","2021-12-07","04:03:54",""
"1564915","8.645","0.0005","9.166","0.0005","9.3403","0.0005","67.433","0.001","72.887","0.001","63.062","0.001","602.75","0.06","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)","","- C16 H10 F6 I6 N2 -","- C16 H10 F6 I6 N2 -","- C16 H10 F6 I6 N2 -","1","0.5","BV4042","Hajjar, Christelle; Ovens, Jeffrey S.; Bryce, David L.","1,3,5-Trifluoro-2,4,6-triiodobenzene–piperazine (2/1)","IUCrData","2021","6","10","x211044","","10.1107/S2414314621010440","","","0.71073","MoKα","","0.0324","0.025","","","0.0456","0.0475","","","","","","1.023","","","","has coordinates,has Fobs","269943","2021-10-14","02:45:38",""
"1564916","7.0204","0.0006","7.7661","0.0006","10.5392","0.0008","97.733","0.001","109.293","0.001","90.217","0.001","536.69","0.07","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4,5-dichlorophthalate","","- C10 H8 Cl2 O4 -","- C10 H8 Cl2 O4 -","- C20 H16 Cl4 O8 -","2","1","BV4041","Hickstein, Daniel D.; Reinheimer, Eric W.; Johnson, Adam R.; O'Leary, Daniel J.","Dimethyl 4,5-dichlorophthalate","IUCrData","2021","6","10","x211043","","10.1107/S2414314621010439","","","0.71073","MoKα","","0.0274","0.0256","","","0.0716","0.0731","","","","","","1.042","","","","has coordinates,has Fobs","269944","2021-10-14","02:46:09",""
"1564917","14.5188","0.0011","7.7744","0.0007","18.07","0.0016","90","","110.447","0.0018","90","","1911.1","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-(3,5-Dichlorophenyl)-N,N-diphenylaniline","3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine","","- C24 H17 Cl2 N -","- C24 H17 Cl2 N -","- C96 H68 Cl8 N4 -","4","1","HB4393","Patel, Dinesh G.; Cox, Jordan M.; Bender, Branden M.; Benedict, Jason B.","3',5'-Dichloro-<i>N</i>,<i>N</i>-diphenyl-[1,1'-biphenyl]-4-amine","IUCrData","2021","6","10","x211016","","10.1107/S2414314621010166","","x-ray","0.71073","MoKα","","0.0694","0.0444","","","0.1053","0.1163","","","","","","1.018","","","","has coordinates,has Fobs","269945","2021-10-14","02:46:49",""
"1564920","15.48296","0.00015","21.4711","0.0002","26.9785","0.0003","90","","90.8706","0.0009","90","","8967.59","0.16","123.1","0.1","123.1","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H20 Al2 As2 F72 Mo4 O16 P2 -","- C60 H20 Al2 As2 F72 Mo4 O16 P2 -","- C240 H80 Al8 As8 F288 Mo16 O64 P8 -","4","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","","1.54184","CuKα","","0.0408","0.0349","","","0.0964","0.0985","","","","","","1.063","","","","has coordinates,has disorder","269952","2021-10-14","22:14:05",""
"1564921","13.3028","0.0002","27.6708","0.0004","14.6789","0.0003","90","","96.234","0.002","90","","5371.34","0.16","123","0.1","123","0.1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62 H24 Al2 As2.07 Bi1.93 Cl28 F48 Mo4 O16 -","- C62 H24 Al2 As2.07 Bi1.93 Cl28 F48 Mo4 O16 -","- C124 H48 Al4 As4.14 Bi3.86 Cl56 F96 Mo8 O32 -","2","0.5","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","","0.71073","MoKα","","0.0481","0.0378","","","0.0816","0.0856","","","","","","1.068","","","","has coordinates,has disorder","269952","2021-10-14","22:14:06",""
"1564922","20.6398","0.0002","23.2138","0.0002","23.127","0.0002","90","","112.969","0.001","90","","10202.3","0.18","123","0.1","123","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C60 H20 Al2 As2 Cl24 F48 Mo4 O16 Sb2 -","- C60 H20 Al2 As2 Cl24 F48 Mo4 O16 Sb2 -","- C240 H80 Al8 As8 Cl96 F192 Mo16 O64 Sb8 -","4","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","","1.54184","CuKα","","0.0523","0.0458","","","0.1181","0.1233","","","","","","1.033","","","","has coordinates,has disorder","269952","2021-10-14","22:14:06",""
"1564923","14.91","0.0003","15.9359","0.0006","20.4158","0.0007","80.965","0.003","82.393","0.002","75.244","0.002","4611","0.3","123","0.1","123","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C60.1 H19.2 Al2 As2.12 Bi1.88 Cl0.2 F72 Mo4 O16 -","- C60.1 H19.2 Al2 As2.12 Bi1.88 Cl0.2 F72 Mo4 O16 -","- C120.2 H38.4 Al4 As4.24 Bi3.76 Cl0.4 F144 Mo8 O32 -","2","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","","0.71073","MoKα","","0.0721","0.0437","","","0.0814","0.092","","","","","","1.013","","","","has coordinates,has disorder","269952","2021-10-14","22:14:06",""
"1564924","15.58714","0.00013","22.64745","0.00018","25.9896","0.0002","90","","90.5124","0.0007","90","","9174.2","0.13","110","0.12","110","0.12","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H20 Al2 Bi2 F72 Mo4 O16 Sb2 -","- C60 H20 Al2 Bi2 F72 Mo4 O16 Sb2 -","- C240 H80 Al8 Bi8 F288 Mo16 O64 Sb8 -","4","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","x-ray","1.39222","CuKβ","","0.0589","0.0577","","","0.1524","0.1532","","","","","","1.165","","","","has coordinates,has disorder","269952","2021-10-14","22:14:06",""
"1564925","27.8964","0.0002","22.2004","0.0001","29.7016","0.0002","90","","90","","90","","18394.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C60 H20 Al2 As2 F72 Mo4 O16 Sb2 -","- C60 H20 Al2 As2 F72 Mo4 O16 Sb2 -","- C480 H160 Al16 As16 F576 Mo32 O128 Sb16 -","8","1","","Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred","Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals","Chemical Science","2021","","","","","10.1039/D1SC04924K","","x-ray","0.71073","MoKα","","0.0436","0.0325","","","0.0786","0.0831","","","","","","1.031","","","","has coordinates,has disorder","269952","2021-10-14","22:14:07",""
"1564926","9.6726","0.0008","9.3885","0.0006","24.069","0.0015","90","","91.499","0.006","90","","2185","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H18 N2 O3 -","- C29 H18 N2 O3 -","- C116 H72 N8 O12 -","4","2","","Dhawa, Uttam; Wdowik, Tomasz; Hou, Xiaoyan; Yuan, Binbin; Oliveira, João C. A.; Ackermann, Lutz","Enantioselective palladaelectro-catalyzed C–H olefinations and allylations for N–C axial chirality","Chemical Science","2021","","","","","10.1039/D1SC04687J","","x-ray","1.54178","CuKα","","0.0431","0.0423","","","0.1103","0.1108","","","","","","1.137","","","","has coordinates","269953","2021-10-14","22:15:23",""
"1564927","12.334","0.002","34.44","0.008","13.084","0.002","90","","94.47","0.02","90","","5541","1.8","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C75 H66 Cu I Mn3 N12 O12 -","- C75 H66 Cu I Mn3 N12 O12 -","- C150 H132 Cu2 I2 Mn6 N24 O24 -","2","0.5","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","x-ray","0.71073","MoKα","","0.5056","0.1917","","","0.4391","0.5919","","","","","","0.955","","","","has coordinates","269954","2021-10-14","22:17:34",""
"1564928","12.335","0.003","33.732","0.007","13.089","0.003","90","","93.23","0.03","90","","5437","2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C87 H90 Br Cu Mn3 N12 O12 -","- C87 H90 Br Cu Mn3 N12 O12 -","- C174 H180 Br2 Cu2 Mn6 N24 O24 -","2","0.5","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.71073","Synchrotron","","0.2891","0.1624","","","0.4192","0.4936","","","","","","1.094","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564929","12.3865","0.0006","33.158","0.002","13.0706","0.0006","90","","94.014","0.004","90","","5355.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C89 H82 Cl Cu Mn3 N12 O12 -","- C89 H82 Cl Cu Mn3 N12 O12 -","- C178 H164 Cl2 Cu2 Mn6 N24 O24 -","2","0.5","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","x-ray","0.71073","MoKα","","0.1897","0.0999","","","0.2585","0.3044","","","","","","1.019","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564930","6.9147","0.0002","12.4146","0.0003","9.8883","0.0002","90","","109.765","0.001","90","","798.84","0.03","302","2","302","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H10 N4 O2 -","- C20 H10 N4 O2 -","- C40 H20 N8 O4 -","2","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","1.54178","CuKα","","0.065","0.0617","","","0.1722","0.1798","","","","","","1.055","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564931","12.341","0.003","12.924","0.003","27.121","0.005","96.83","0.03","91.48","0.03","90.6","0.03","4293.1","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H66 Cl0 Cu0 Mn3 N12 O12 -","- C75 H66 Mn3 N12 O12 -","- C150 H132 Mn6 N24 O24 -","2","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.71073","Synchrotron","","0.2557","0.1789","","","0.4393","0.5042","","","","","","1.053","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564932","12.308","0.003","12.898","0.003","30.822","0.006","94.7","0.03","95.44","0.03","92.66","0.03","4847.3","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H66 Cl Cu Mn3 N12 O12 -","- C75 H66 Cl Cu Mn3 N12 O12 -","- C150 H132 Cl2 Cu2 Mn6 N24 O24 -","2","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.71073","Synchrotron","","0.2104","0.1375","","","0.3446","0.4077","","","","","","0.99","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564933","12.374","0.003","32.954","0.007","25.956","0.005","90","","94.92","0.03","90","","10545","4","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C78 H70.5 Cl Cu Mn3 N13.5 O12 -","- C78 H70.5 Cl Cu Mn3 N13.5 O12 -","- C312 H282 Cl4 Cu4 Mn12 N54 O48 -","4","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.71073","Synchrotron","","0.1478","0.1106","","","0.3192","0.3501","","","","","","1.186","","","","has coordinates","269954","2021-10-14","22:17:35",""
"1564934","13.026","0.003","34.629","0.007","24.547","0.005","90","","95.71","0.03","90","","11018","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H66 Au0.65 Cl0.65 Mn3 N12 O12 -","- C75 H66 Au0.65 Cl0.65 Mn3 N12 O12 -","- C300 H264 Au2.6 Cl2.6 Mn12 N48 O48 -","4","1","","Albalad, jorge; Peralta, Ricardo; Huxley, Michael; Tsoukatos, Steven; Shi, Zhaolin; Zhang, Yue-Biao; Evans, Jack D.; Sumby, Christopher J.; Doonan, Christian J.","Coordination Modulated On-Off Switching of Flexibility in a Metal-organic Framework","Chemical Science","2021","","","","","10.1039/D1SC04712D","","","0.7107","Synchrotron","","0.1584","0.1194","","","0.3392","0.3639","","","","","","1.043","","","","has coordinates,has disorder","269954","2021-10-14","22:17:35",""
"1564935","7.4373","0.0015","9.664","0.002","12.06","0.003","74.068","0.006","82.863","0.006","83.792","0.006","824.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H14 Ag F0 N4 O3 P -","- C16 H14 Ag N4 O3 P -","- C32 H28 Ag2 N8 O6 P2 -","2","1","","Biswas, Sourav; Das, Anish Kumar; Nath, Akashdeep; Paul, Souradip; Suheshkumar Singh, M.; Mandal, Sukhendu","Novel class of water-soluble phosphonate silver cluster assembled material for efficient photoelectric sensing and photoacoustic imaging.","Nanoscale","2021","13","41","17325","17330","10.1039/d1nr05646h","","","0.71073","MoKα","","0.1304","0.0642","","","0.1115","0.136","","","","","","1.028","","","","has coordinates","270464","2021-11-06","20:16:00",""
"1564936","9.0805","0.0009","10.1637","0.001","23.374","0.002","90","","90","","90","","2157.2","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C108 H92 N12 O8 -","4","1","","Dey, Sunanda; Paul, Sukanya; Debsharma, Kingshuk; Sinha, Chittaranjan","A highly emissive Zn(II)-pyridyl-benzimidazolyl-phenolato-based chemosensor: detection of H<sub>2</sub>PO<sub>4</sub><sup>-</sup><i>via</i> ""use"" and ""throw"" device fabrication.","Analytical methods : advancing methods and applications","2021","13","44","5282","5292","10.1039/d1ay01575c","","","0.71073","MoKα","","0.1373","0.1007","","","0.1796","0.1951","","","","","","1.118","","","","has coordinates","271149","2021-12-07","02:19:08",""
"1564937","11.6035","0.0008","14.7339","0.0011","15.7485","0.0011","80.164","0.001","76.255","0.001","68.386","0.001","2421.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 B Cu F10 N4 S2 -","- C20 H18 B Cu F10 N4 S2 -","- C80 H72 B4 Cu4 F40 N16 S8 -","4","2","","Noonikara Poyil, Anurag; Muñoz-castro, A.; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","When SF5 outplays CF3: Effects of pentafluorosulfanyl decorated scorpionates on copper","Chemical Science","2021","","","","","10.1039/D1SC04846E","","","0.71073","MoKα","","0.0346","0.0294","","","0.0778","0.0805","","","","","","1.015","","","","has coordinates","269972","2021-10-15","22:13:34",""
"1564938","9.9858","0.0007","10.2229","0.0007","12.0676","0.0008","79.949","0.001","66.873","0.001","77.978","0.001","1102.16","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 B Cu F6 N4 -","- C22 H18 B Cu F6 N4 -","- C44 H36 B2 Cu2 F12 N8 -","2","1","","Noonikara Poyil, Anurag; Muñoz-castro, A.; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","When SF5 outplays CF3: Effects of pentafluorosulfanyl decorated scorpionates on copper","Chemical Science","2021","","","","","10.1039/D1SC04846E","","","0.71073","MoKα","","0.0265","0.025","","","0.0701","0.071","","","","","","1.03","","","","has coordinates","269972","2021-10-15","22:13:34",""
"1564939","11.5023","0.0004","14.7295","0.0005","15.6519","0.0006","80.195","0.002","74.824","0.002","68.378","0.002","2371.16","0.15","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C19 H14 B Cu F10 N4 O S2 -","- C19 H14 B Cu F10 N4 O S2 -","- C76 H56 B4 Cu4 F40 N16 O4 S8 -","4","2","","Noonikara Poyil, Anurag; Muñoz-castro, A.; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","When SF5 outplays CF3: Effects of pentafluorosulfanyl decorated scorpionates on copper","Chemical Science","2021","","","","","10.1039/D1SC04846E","","x-ray","0.71073","MoKα","K-L~3~","0.0601","0.0384","","","0.0822","0.0959","","","","","","1.091","","","","has coordinates","269972","2021-10-15","22:13:34",""
"1564940","10.1945","0.0006","10.2497","0.0006","12.0937","0.0007","114.94","0.002","91.685","0.003","106.275","0.002","1084","0.11","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H14 B Cu F6 N4 O -","- C21 H14 B Cu F6 N4 O -","- C42 H28 B2 Cu2 F12 N8 O2 -","2","1","","Noonikara Poyil, Anurag; Muñoz-castro, A.; Boretskyi, Andrii; Mykhailiuk, Pavel K.; Dias, Rasika","When SF5 outplays CF3: Effects of pentafluorosulfanyl decorated scorpionates on copper","Chemical Science","2021","","","","","10.1039/D1SC04846E","","x-ray","0.71073","MoKα","K-L~3~","0.0412","0.0355","","","0.0863","0.0918","","","","","","1.094","","","","has coordinates,has disorder","269972","2021-10-15","22:13:35",""
"1564941","8.2902","0.0001","12.9328","0.0001","29.8623","0.0002","90","","90","","90","","3201.7","0.05","170.01","0.18","170.01","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 N4 O -","- C43 H32 N4 O -","- C172 H128 N16 O4 -","4","1","","Zhang, Da-Wei; Teng, Jin-Ming; Wang, Yin-Feng; Han, Xiao-Ni; Li, Meng; Chen, Chuan-Feng","D-π*-A type planar chiral TADF materials for efficient circularly polarized electroluminescence.","Materials horizons","2021","8","12","3417","3423","10.1039/d1mh01404h","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.081","0.0817","","","","","","1.031","","","","has coordinates","271238","2021-12-07","04:04:02",""
"1564942","7.21024","0.00018","16.4876","0.0005","11.2792","0.0003","90","","90","","90","","1340.87","0.06","100","0.11","100","0.11","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","FC5056","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.0759","0.0374","","","0.0554","0.0616","","","","","","0.9394","","","","has coordinates","269978","2021-10-16","02:10:39",""
"1564943","7.2462","0.0011","16.536","0.003","11.255","0.003","90","","90","","90","","1348.6","0.5","293.4","0.5","293.4","0.5","","","247000","","","Pressurized to 0.2 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.1329","0.0547","","","0.108","0.1352","","","","","","1.0221","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564944","7.15","0.01","16.17","0.03","11.288","0.009","90","","90","","90","","1305","3","295.4","0.6","295.4","0.6","","","520500","","","Pressurized to 0.5 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.0932","0.0341","","","0.0487","0.0602","","","","","","0.9283","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564945","7.0642","0.0011","16.22","0.002","11.165","0.002","90","","90","","90","","1279.3","0.3","289","10","289","10","","","782500","","","Pressurized to 0.8 GPa and left to stabilize over 24 hours.","","3","P n m a","-P 2ac 2n","62","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","0.5","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","","0.71073","MoKα","","0.135","0.0561","","","0.1229","0.1529","","","","","","1.0348","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564946","7.03","0.0009","16.147","0.002","11.1214","0.0019","90","","90","","90","","1262.4","0.3","293","2","293","2","","","969500","","","Pressurized to 1.0 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1323","0.0652","","","0.1388","0.1616","","","","","","1.022","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564947","7.0202","0.0015","16.0775","0.0018","11.161","0.0016","90","","90","","90","","1259.7","0.4","295.4","0.9","295.4","0.9","","","1157500","","","Pressurized to 1.2 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1502","0.0753","","","0.1626","0.1997","","","","","","0.992","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564948","6.9714","0.0016","16.139","0.005","11.072","0.003","90","","90","","90","","1245.7","0.6","294","2","294","2","","","1298000","","","Pressurized to 1.3 GPa and left to stabilize over 24 hours.","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.1909","0.0892","","","0.2154","0.2581","","","","","","1.012","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564949","6.8697","0.0019","15.96","0.002","11.1099","0.0018","90","","90","","95.074","0.017","1213.3","0.4","295.4","0.4","295.4","0.4","","","2029000","","","Pressurized to 2.0 GPa and left to stabilize over 24 hours.","","3","P 1 1 21/a","-P 2ac","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Tchoń, D.; Makal, A.","Maximizing completeness in single-crystal high-pressure diffraction experiments: phase transitions in 2{^i̧rc}AP","IUCrJ","2021","8","6","","","10.1107/S2052252521009532","","x-ray","0.71073","MoKα","","0.2303","0.0813","","","0.1556","0.1843","","","","","","0.868","","","","has coordinates","269978","2021-10-16","02:10:40",""
"1564961","10.3519","0.001","13.6009","0.0013","4.7998","0.0004","90","","104.816","0.002","90","","653.32","0.1","","","298","","","","100","","","","","4","C 1 2/m 1","-C 2y","12","Fe3(AsO4)2 8H2O","","parasymplesite","- As2 Fe3 H16 O16 -","- As Fe1.5 H8 O8 -","- As4 Fe6 H32 O32 -","4","0.5","","Hongu, H.; Yoshiasa, A.; Kitahara, G.; Miyano, Y.; Han, K.; Momma, K.; Miyawaki, R.; Tokuda, M.; Sugiyama, K.","Crystal structure refinement and crystal chemistry of parasymplesite and vivianite","Journal of Mineralogical and Petrological Sciences","2021","116","","183","192","10.2465/jmps.200904","","","","","","","","","","","","","","","","","","","","","has coordinates","269985","2021-10-18","04:57:52",""
"1564962","10.1518","0.0006","13.4327","0.0007","4.7005","0.0003","90","","104.692","0.002","90","","620.03","0.06","","","298","","","","100","","","","","6","C 1 2/m 1","-C 2y","12","(Fe0.93Mn0.06Mg0.01)3(PO4)2 8H2O","","vivianite","- Fe2.91 H16 Mg0.03 Mn0.18 O16 P2 -","- Fe1.5 H8 O8 P -","- Fe6 H32 O32 P4 -","4","0.5","","Hongu, H.; Yoshiasa, A.; Kitahara, G.; Miyano, Y.; Han, K.; Momma, K.; Miyawaki, R.; Tokuda, M.; Sugiyama, K.","Crystal structure refinement and crystal chemistry of parasymplesite and vivianite","Journal of Mineralogical and Petrological Sciences","2021","116","","183","192","10.2465/jmps.200904","","","","","","","","","","","","","","","","","","","","","has coordinates","269986","2021-10-18","04:58:40",""
"1564989","30.9611","0.0002","30.9611","0.0002","13.1204","0.0001","90","","90","","120","","10892.1","0.13","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C143 H224 O47 -","- C135 H192 O39 -","- C405 H576 O117 -","3","0.166667","","Alexander, Francesca M.; Fonrouge, Sergio; Borioni, Jose Luis; Del Popolo, Mario G.; Horton, Peter; Coles, Simon; Hutchings, Benjamin; Crawford, Deborah E.; James, Stuart","Noria and its derivatives as hosts for chemically and thermally robust Type II Porous Liquids","Chemical Science","2021","","","","","10.1039/D1SC03367K","","x-ray","0.71075","MoKα","K-L~3~","0.0662","0.0631","","","0.1857","0.189","","","","","","1.033","","","","has coordinates,has disorder","270012","2021-10-18","22:10:11",""
"1564990","19.5728","0.0005","22.2124","0.0007","22.5739","0.0006","117.141","0.003","115.302","0.003","90.835","0.002","7623.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H132 O30 S6 -","- C114 H132 O30 S6 -","- C228 H264 O60 S12 -","2","1","","Alexander, Francesca M.; Fonrouge, Sergio; Borioni, Jose Luis; Del Popolo, Mario G.; Horton, Peter; Coles, Simon; Hutchings, Benjamin; Crawford, Deborah E.; James, Stuart","Noria and its derivatives as hosts for chemically and thermally robust Type II Porous Liquids","Chemical Science","2021","","","","","10.1039/D1SC03367K","","x-ray","0.71075","MoKα","K-L~3~","0.1228","0.0894","","","0.2586","0.2796","","","","","","1.054","","","","has coordinates,has disorder","270012","2021-10-18","22:10:12",""
"1564992","24.48533","0.00039","24.48533","0.00039","8.3056","0.00015","90","","90","","120","","4312.35","0.12","298","","298","","","","","","","","","6","R -3 m :H","-R 3 2""","166","Co2Cl2bbta_2mbarNO_298K","","","- C3 H Cl Co N3.8 O0.8 -","- C3 H Cl Co N3.795 O0.795 -","- C54 H18 Cl18 Co18 N68.31 O14.31 -","18","0.5","","Oktawiec, Julia; Jiang, Henry Z. H.; Turkiewicz, Ari B.; Long, Jeffrey R.","Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks","Chemical Science","2021","","","","","10.1039/D1SC03994F","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.01","1.68","","","","","","","has coordinates","270027","2021-10-19","22:20:24",""
"1564993","24.56965","0.0009","24.56965","0.0009","7.76577","0.00026","90","","90","","120","","4059.9","0.3","298","","298","","","","","","","","","5","R -3 m :H","-R 3 2""","166","Co2OH2bbta_200mbarNO","","","- C3 H Co N3.93 O2.13 -","- C3 H Co N3.933 O2.13 -","- C54 H18 Co18 N70.794 O38.34 -","18","0.5","","Oktawiec, Julia; Jiang, Henry Z. H.; Turkiewicz, Ari B.; Long, Jeffrey R.","Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks","Chemical Science","2021","","","","","10.1039/D1SC03994F","powder diffraction","x-ray","0.45415","synchrotron","","","","","","","","","0.016","1.75","","","","","","","has coordinates","270027","2021-10-19","22:20:25",""
"1564994","24.43599","0.00063","24.43599","0.00063","8.26773","0.00025","90","","90","","120","","4275.4","0.2","100","","100","","","","","","","","","6","R -3 m :H","-R 3 2""","166","Co2Cl2bbta_2mbarNO_100K","","","- C3 H Cl Co N3.92 O0.92 -","- C3 H Cl Co N3.918 O0.9176 -","- C54 H18 Cl18 Co18 N70.524 O16.5168 -","18","0.5","","Oktawiec, Julia; Jiang, Henry Z. H.; Turkiewicz, Ari B.; Long, Jeffrey R.","Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks","Chemical Science","2021","","","","","10.1039/D1SC03994F","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.011","2.31","","","","","","","has coordinates","270027","2021-10-19","22:20:25",""
"1564995","24.72027","0.0007","24.72027","0.0007","7.75102","0.0002","90","","90","","120","","4102","0.2","298","","298","","","","","","","","","5","R -3 m :H","-R 3 2""","166","Co2OH2bbta_2mbarNO_298K","","","- C3 H Co N3.92 O1.92 -","- C3 H Co N3.916 O1.916 -","- C54 H18 Co18 N70.488 O34.488 -","18","0.5","","Oktawiec, Julia; Jiang, Henry Z. H.; Turkiewicz, Ari B.; Long, Jeffrey R.","Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks","Chemical Science","2021","","","","","10.1039/D1SC03994F","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.01","1.7","","","","","","","has coordinates","270027","2021-10-19","22:20:25",""
"1564996","24.687","0.00076","24.687","0.00076","7.71491","0.00022","90","","90","","120","","4071.9","0.2","100","","100","","","","","","","","","5","R -3 m :H","-R 3 2""","166","Co2OH2bbta_2mbarNO_100K","","","- C3 H Co N3.92 O1.92 -","- C3 H Co N3.9231 O1.9232 -","- C54 H18 Co18 N70.6158 O34.6176 -","18","0.5","","Oktawiec, Julia; Jiang, Henry Z. H.; Turkiewicz, Ari B.; Long, Jeffrey R.","Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks","Chemical Science","2021","","","","","10.1039/D1SC03994F","powder diffraction","x-ray","0.45411","synchrotron","","","","","","","","","0.012","1.77","","","","","","","has coordinates","270027","2021-10-19","22:20:25",""
"1564997","10.297","0.005","10.297","0.005","5.772","0.003","90","","90","","120","","530","0.5","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Si2 Ti0.62 -","- La6 S14 Si2 Ti0.624 -","- La6 S14 Si2 Ti0.624 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.018","0.0153","","","0.0278","0.0283","","","","","","1.052","","","","has coordinates","270029","2021-10-19","22:24:07",""
"1564998","10.3141","0.0011","10.3141","0.0011","5.7313","0.001","90","","90","","120","","528.02","0.12","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Co La6 S14 Si2 -","- Co1.008 La6 S14 Si2 -","- Co1.008 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0124","0.0113","","","0.0243","0.0245","","","","","","1.128","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1564999","10.4001","0.0019","10.4001","0.0019","6.0178","0.0014","90","","90","","120","","563.7","0.2","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Au0.97 La3 S7 Sn -","- Au0.9639 La3 S7 Sn -","- Au1.9278 La6 S14 Sn2 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0179","0.0161","","","0.0244","0.0246","","","","","","1.016","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565000","10.2888","0.0012","10.2888","0.0012","5.7503","0.0009","90","","90","","120","","527.17","0.12","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Cr0.66 La6 S14 Si2 -","- Cr0.66 La6 S14 Si2 -","- Cr0.66 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0269","0.0213","","","0.0336","0.0344","","","","","","1.052","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565001","10.3189","0.0006","10.3189","0.0006","5.7543","0.0004","90","","90","","120","","530.63","0.06","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Si2 Zr0.52 -","- La6 S14 Si2 Zr0.518 -","- La6 S14 Si2 Zr0.518 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0327","0.024","","","0.0344","0.0361","","","","","","1.051","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565002","10.2991","0.0003","10.2991","0.0003","5.7389","0.0003","90","","90","","120","","527.18","0.04","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe1.05 La6 S14 Si2 -","- Fe1.048 La6 S14 Si2 -","- Fe1.048 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0239","0.0188","","","0.0355","0.0364","","","","","","1.122","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565003","10.2725","0.0006","10.2725","0.0006","5.7287","0.0004","90","","90","","120","","523.53","0.06","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Ni S14 Si2 -","- La6 Ni0.992 S14 Si2 -","- La6 Ni0.992 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0607","0.0365","","","0.0431","0.0465","","","","","","1.046","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565004","10.3188","0.0006","10.3188","0.0006","5.7612","0.0005","90","","90","","120","","531.25","0.06","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Hf0.48 La6 S14 Si2 -","- Hf0.486 La6 S14 Si2 -","- Hf0.486 La6 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0344","0.026","","","0.0415","0.0433","","","","","","1.074","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565005","10.3804","0.0015","10.3804","0.0015","5.825","0.0014","90","","90","","120","","543.57","0.17","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Au0.96 La3 S7 Si -","- Au0.9528 La3 S7 Si -","- Au1.9056 La6 S14 Si2 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.015","0.0127","","","0.0247","0.025","","","","","","0.967","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565006","10.3231","0.0014","10.3231","0.0014","5.7991","0.0008","90","","90","","120","","535.19","0.13","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Cu0.99 La3 S7 Si -","- Cu0.984 La3 S7 Si -","- Cu1.968 La6 S14 Si2 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0126","0.0116","","","0.0226","0.0229","","","","","","1.108","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565007","10.296","0.0004","10.296","0.0004","5.7356","0.0003","90","","90","","120","","526.56","0.04","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Si2 V0.77 -","- La6 S14 Si2 V0.774 -","- La6 S14 Si2 V0.774 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0257","0.0204","","","0.0351","0.0361","","","","","","1.047","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565008","10.3905","0.0016","10.3905","0.0016","5.8848","0.001","90","","90","","120","","550.22","0.15","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- Au0.99 Ge La3 S7 -","- Au0.9846 Ge La3 S7 -","- Au1.9692 Ge2 La6 S14 -","2","0.333333","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0132","0.0128","","","0.0241","0.0242","","","","","","1.09","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565009","10.3337","0.0004","10.3337","0.0004","5.7285","0.0003","90","","90","","120","","529.76","0.04","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Mn0.98 S14 Si2 -","- La6 Mn0.978 S14 Si2 -","- La6 Mn0.978 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.036","0.0256","","","0.0418","0.0437","","","","","","1.033","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565010","10.253","0.0003","10.253","0.0003","5.7717","0.0003","90","","90","","120","","525.46","0.03","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Pt0.53 S14 Si2 -","- La6 Pt0.532 S14 Si2 -","- La6 Pt0.532 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0556","0.041","","","0.0851","0.0884","","","","","","1.109","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565011","10.3383","0.0005","10.3383","0.0005","5.7459","0.0004","90","","90","","120","","531.85","0.05","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 S14 Sc0.64 Si2 -","- La6 S14 Sc0.646 Si2 -","- La6 S14 Sc0.646 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0232","0.0186","","","0.0314","0.0324","","","","","","1.054","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565012","10.2507","0.0005","10.2507","0.0005","5.749","0.0003","90","","90","","120","","523.15","0.05","100","2","100","2","","","","","","","","4","P 63","P 6c","173","","","","- La6 Rh0.69 S14 Si2 -","- La6 Rh0.688 S14 Si2 -","- La6 Rh0.688 S14 Si2 -","1","0.166667","","Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill","Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides","Chemical Science","2021","","","","","10.1039/D1SC03685H","","","0.71073","MoKα","","0.0227","0.0181","","","0.0282","0.0291","","","","","","1.065","","","","has coordinates","270029","2021-10-19","22:24:08",""
"1565013","7.2165","0.0002","12.5371","0.0004","16.4763","0.0006","90","","90","","90","","1490.68","0.08","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-(1-(benzo[b]thiophen-5-yl)ethyl)morpholin-4-ium chloride","","- C15 H20 Cl N O S -","- C15 H20 Cl N O S -","- C60 H80 Cl4 N4 O4 S4 -","4","1","","Kremsmair, Alexander; Wilke, Henrik R.; Simon, Matthias M.; Schmidt, Quirin; Karaghiosoff, Konstantin; Knochel, Paul","General stereoretentive preparation of chiral secondary mixed alkylmagnesium reagents and their use for enantioselective electrophilic aminations.","Chemical science","2021","13","1","44","49","10.1039/d1sc05315a","","","0.71073","MoKα","","0.047","0.0382","","","0.0823","0.0862","","","","","","1.058","","","","has coordinates","272562","2022-02-04","19:05:23",""
"1565014","27.3326","0.0006","13.601","0.0004","16.1847","0.0003","90","","93.524","0.002","90","","6005.3","0.2","149.98","0.1","149.98","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 N2 O4 S2 -","- C33 H30 N2 O4 S2 -","- C264 H240 N16 O32 S16 -","8","1","","Ma, Zetong; Yang, Zhiqiang; Mu, Lan; Deng, Lisong; Chen, Liangjian; Wang, Bohan; Qiao, Xianfeng; Hu, Dehua; Yang, Bing; Ma, Dongge; Peng, Junbiao; Ma, Yuguang","Converting the molecular luminescence to ultralong room-temperature phosphorescence via excited states modulation on sulfone-containing heteroaromatics","Chemical Science","2021","","","","","10.1039/D1SC04118E","","x-ray","1.54184","CuKα","","0.0596","0.0454","","","0.113","0.1198","","","","","","1.028","","","","has coordinates","270031","2021-10-19","22:26:20",""
"1565015","13.3902","0.0005","13.4787","0.0005","18.501","0.0005","90.572","0.003","92.148","0.003","114.215","0.004","3042","0.2","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H82 B3 N5 Si2 -","- C64 H82 B3 N5 Si2 -","- C128 H164 B6 N10 Si4 -","2","1","","Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming","Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene","Chemical Science","2021","","","","","10.1039/D1SC05125C","","x-ray","0.71073","MoKα","","0.1071","0.0773","","","0.2066","0.2253","","","","","","1.107","","","","has coordinates,has disorder","270032","2021-10-19","22:27:39",""
"1565016","14.0914","0.0005","24.4943","0.0007","20.4237","0.0007","90","","90.338","0.003","90","","7049.3","0.4","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H95 B3 N4 Si2 -","- C67 H95 B3 N4 Si2 -","- C268 H380 B12 N16 Si8 -","4","1","","Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming","Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene","Chemical Science","2021","","","","","10.1039/D1SC05125C","","","0.71073","MoKα","","0.1276","0.0672","","","0.1511","0.178","","","","","","1.041","","","","has coordinates","270032","2021-10-19","22:27:40",""
"1565017","17.3657","0.0005","17.4514","0.0005","39.6637","0.0011","90","","90","","90","","12020.3","0.6","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122.08 H165.06 B6 N8 Si4 -","- C122 H166 B6 N8 Si4 -","- C488 H664 B24 N32 Si16 -","4","1","","Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming","Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene","Chemical Science","2021","","","","","10.1039/D1SC05125C","","x-ray","0.71073","MoKα","","0.1088","0.0668","","","0.1168","0.1348","","","","","","1.039","","","","has coordinates,has disorder","270032","2021-10-19","22:27:40",""
"1565018","14.9942","0.001","11.7473","0.0008","19.3646","0.0011","90","","93.326","0.005","90","","3405.2","0.4","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H94 B4 N4 O4 Si2 -","- C70 H94 B4 N4 O4 Si2 -","- C140 H188 B8 N8 O8 Si4 -","2","0.5","","Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming","Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene","Chemical Science","2021","","","","","10.1039/D1SC05125C","","x-ray","0.71073","MoKα","","0.1968","0.0824","","","0.1378","0.1858","","","","","","1.011","","","","has coordinates","270032","2021-10-19","22:27:40",""
"1565019","10.6321","0.0005","12.6541","0.0008","19.8364","0.001","88.291","0.004","89.058","0.004","82.021","0.004","2641.6","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H72 B2 Li2 N4 Si2 -","- C52 H72 B2 Li2 N4 Si2 -","- C104 H144 B4 Li4 N8 Si4 -","2","1","","Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming","Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene","Chemical Science","2021","","","","","10.1039/D1SC05125C","","x-ray","0.71073","MoKα","","0.1575","0.1167","","","0.2808","0.3053","","","","","","1.102","","","","has coordinates","270032","2021-10-19","22:27:40",""
"1565023","7.9335","0.0003","7.6255","0.0003","18.3875","0.0007","90","","99.0734","0.0014","90","","1098.47","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate","","- C7 H11 N O6 S2 -","- C7 H11 N O6 S2 -","- C28 H44 N4 O24 S8 -","4","1","HB4392","Taeufer, Tobias; Spannenberg, Anke; Pospech, Jola","1-[(Methylsulfonyl)oxy]pyridin-1-ium methanesulfonate","IUCrData","2021","6","10","x211026","","10.1107/S2414314621010269","","","0.71073","MoKα","","0.0484","0.0354","","","0.0898","0.098","","","","","","1.054","","","","has coordinates,has Fobs","270050","2021-10-20","02:42:35",""
"1565024","11.538","0.002","7.989","0.003","5.6504","0.0013","109.68","0.02","91.516","0.017","83.71","0.019","487.4","0.2","","","298","","","","100","","","","","5","P -1","-P 1","2","Ca2Cu(OH)4[B(OH)4]2","","henmilite","- B2 Ca2 Cu H12 O12 -","- B2 Ca2 Cu H12 O12 -","- B4 Ca4 Cu2 H24 O24 -","2","1","","Yamamoto, H.; Sakakura, T.; Jeschke, H.O.; Kabeya, N.; Hayashi, K.; Ishikawa, Y.; Fujii, Y.; Kishimoto, S.; Sagayama, H.; Shigematsu, K.; Azuma, M.; Ochiai, A.; Noda, Y.; Kimura, H.","Quantum spin fluctuations and hydrogen bond network in the antiferromagnetic natural mineral henmilite","Physical Review Materials","2021","5","","104405-1","104405-8","10.1103/PhysRevMaterials.5.104405","","","","","","","","","","","","","","","","","","","","","has coordinates","270051","2021-10-20","06:22:18",""
"1565037","12.4748","0.0008","16.3845","0.0011","21.7988","0.0014","90","","94.3271","0.0017","90","","4442.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cp*Ir(pba)Cl]","4-(picolinamido)benzoic acid pentamethylcyclopentadiene iridium complex","","- C23 H24 Cl Ir N2 O3 -","- C23 H24 Cl Ir N2 O3 -","- C184 H192 Cl8 Ir8 N16 O24 -","8","2","","Zhao, Li-Jun; Yin, Zequn; Shi, Yusheng; Sun, Wen; Sun, Libo; Su, Huijuan; Sun, Xun; Zhang, Weiling; Xia, Linyan; Qi, Caixia","A highly active Cp*Ir complex with an anionic N,N-donor chelate ligand catalyzes the robust regeneration of NADH under physiological conditions","Catalysis Science & Technology","2021","11","24","7982","7991","10.1039/D1CY01458G","","","0.71073","MoKα","","0.0862","0.0493","","","0.1475","0.1657","","","","","","1.1","","","","has coordinates","271827","2022-01-06","20:41:01",""
"1565038","10.2605","0.0002","15.2842","0.0003","26.1552","0.0005","90","","90","","90","","4101.75","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F8 Mn N6 O6 S2 -","- C36 H43.9999 F8 Mn N6 O6 S2 -","- C144 H176 F32 Mn4 N24 O24 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0461","0.038","","","0.0988","0.1031","","","","","","1.045","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565039","10.2594","0.0003","15.1887","0.0004","25.5178","0.0005","90","","90","","90","","3976.36","0.17","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 F6 Fe N6 O7 S2 -","- C34 H48 F6 Fe N6 O7 S2 -","- C136 H192 F24 Fe4 N24 O28 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0541","0.0397","","","0.0931","0.0981","","","","","","1.059","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565040","5.9384","0.0001","5.3053","0.0001","15.9518","0.0004","90","","93.289","0.001","90","","501.734","0.018","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F N O3 -","- C10 H12 F N O3 -","- C20 H24 F2 N2 O6 -","2","1","","Zhang, Rui; Tan, Jiamu; Luo, Zhenzhen; Dong, Haihong; Ma, Ningshan; Liao, Cangsong","Stereo-selective synthesis of non-canonical γ-hydroxy-α-amino acids by enzymatic carbon–carbon bond formation","Catalysis Science & Technology","2021","11","22","7380","7385","10.1039/D1CY00955A","","","1.54178","CuKα","","0.0268","0.026","","","0.0656","0.0676","","","","","","1.095","","","","has coordinates","271151","2021-12-07","02:20:50",""
"1565041","7.5198","0.0004","16.3763","0.0009","7.5876","0.0004","90","","90.136","0.006","90","","934.38","0.09","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","catena-[(m4-tetrakis(2-Methyl-1H-imidazol-1-yl)borate-N3,N3',N3'',N3''')-silver(i)]","","","- C16 H20 Ag B N8 -","- C16 H20 Ag B N8 -","- C32 H40 Ag2 B2 N16 -","2","1","","Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav","Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry","Chemical Science","2021","","","","","10.1039/D1SC03665C","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.029","2.96","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1565042","7.3725","0.0002","7.2227","0.0002","23.4925","0.0006","90","","97.826","0.002","90","","1239.31","0.06","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","1-hydroxybutan-2-aminium tetra(imidazol-1-yl)borate dihydrate","","- C20 H36 B N9 O3 -","- C20 H36 B N9 O3 -","- C40 H72 B2 N18 O6 -","2","1","","Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav","Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry","Chemical Science","2021","","","","","10.1039/D1SC03665C","","","1.54178","CuKα","","0.0811","0.0499","","","0.118","0.1484","","","","","","1.047","","","","has coordinates","270103","2021-10-28","22:24:42",""
"1565043","16.6659","0.0003","16.6659","0.0003","16.6659","0.0003","90","","90","","90","","4628.99","0.14","293","","293","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","catena-[(m4-tetrakis(2-Methyl-1H-imidazol-1-yl)borate-N3,N3',N3'',N3''')-silver(i)]","","","- C16 H20 Ag B N8 -","- C16 H20 Ag B N8 -","- C96 H120 Ag6 B6 N48 -","6","0.25","","Lennox, Cameron B.; Do, Jean-Louis; Crew, Joshua G.; Arhangelskis, Mihails; Titi, Hatem M.; Howarth, Ashlee J.; Farha, Omar K.; Friščić, Tomislav","Simplifying and expanding the scope of boron imidazolate framework (BIF) synthesis using mechanochemistry","Chemical Science","2021","","","","","10.1039/D1SC03665C","powder diffraction","","1.5418","CuKα~1~","","","","","","","","","0.031","3.143","","","","","","","has coordinates","288246","2023-12-12","10:54:34",""
"1565044","8.798","0.003","8.047","0.002","11.933","0.007","90","","108.18","0.02","90","","802.7","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","2b","Benzyl (R)-2-(4-fluorophenyl)morpholine-4-carboxylate","","- C18 H18 F N O3 -","- C18 H18 F N O3 -","- C36 H36 F2 N2 O6 -","2","1","","Li, Mingxu; Zhang, Jian; Zou, Yashi; Zhou, Fengfan; Zhang, Zhenfeng; Zhang, Wanbin","Asymmetric Hydrogenation for the Synthesis of 2-Substituted Chiral Morpholines","Chemical Science","2021","","","","","10.1039/D1SC04288B","","","1.54178","CuKα","","0.035","0.0317","","","0.0853","0.0888","","","","","","1.028","","","","has coordinates","270104","2021-10-28","22:25:22",""
"1565045","5.5094","0.0002","14.3271","0.0004","19.9017","0.0006","90","","90","","90","","1570.92","0.09","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1c","1-(6-(4-chlorophenyl)-2,3-dihydro-4H-1,4-oxazin-4-yl)-2-phenylethan-1-one","","- C18 H15 Cl N O3 -","- C18 H15 Cl N O3 -","- C72 H60 Cl4 N4 O12 -","4","1","","Li, Mingxu; Zhang, Jian; Zou, Yashi; Zhou, Fengfan; Zhang, Zhenfeng; Zhang, Wanbin","Asymmetric Hydrogenation for the Synthesis of 2-Substituted Chiral Morpholines","Chemical Science","2021","","","","","10.1039/D1SC04288B","","","1.54178","CuKα","","0.0386","0.0345","","","0.0955","0.0996","","","","","","1.04","","","","has coordinates","270104","2021-10-28","22:25:23",""
"1565046","9.184","0.003","22.258","0.006","17.025","0.005","90","","103.307","0.005","90","","3386.8","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Br4 Cr2 N5 O -","- C30 H33 Br4 Cr2 N5 O -","- C120 H132 Br16 Cr8 N20 O4 -","4","1","","Kurogi, Takashi; Irifune, Keiichi; Takai, Kazuhiko","Chromium carbides and cyclopropenylidenes","Chemical Science","2021","","","","","10.1039/D1SC04910K","","","0.71075","MoKα","","0.1324","0.0991","","","0.2612","0.2798","","","","","","1.018","","","","has coordinates,has disorder","270105","2021-10-28","22:26:03",""
"1565047","10.606","0.003","11.192","0.003","13.906","0.004","90","","102.494","0.003","90","","1611.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H20 Br3 Cr O2 -","- C11 H20 Br3 Cr O2 -","- C44 H80 Br12 Cr4 O8 -","4","1","","Kurogi, Takashi; Irifune, Keiichi; Takai, Kazuhiko","Chromium carbides and cyclopropenylidenes","Chemical Science","2021","","","","","10.1039/D1SC04910K","","","0.71075","MoKα","","0.034","0.0266","","","0.0563","0.0584","","","","","","0.962","","","","has coordinates","270105","2021-10-28","22:26:03",""
"1565048","11.61809","0.00015","14.3868","0.0003","14.5233","0.0003","64.798","0.002","88.554","0.0014","88.8361","0.0013","2195.63","0.08","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Au Cl2 P -","- C21 H26 Au Cl2 P -","- C84 H104 Au4 Cl8 P4 -","4","2","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0302","0.023","","","0.0492","0.0522","","","","","","1.055","","","","has coordinates","270106","2021-10-28","22:28:15",""
"1565049","20.5063","0.0004","18.3561","0.0003","15.088","0.0003","90","","110.527","0.002","90","","5318.76","0.19","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Au2 B2 Cl4 F8 O5 P2 -","- C42 H52 Au2 B2 Cl2 F8 P2 -","- C168 H208 Au8 B8 Cl8 F32 P8 -","4","0.5","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0329","0.0242","","","0.0511","0.0546","","","","","","1.014","","","","has coordinates","270106","2021-10-28","22:28:16",""
"1565050","7.3074","0.0001","10.1541","0.0002","11.6688","0.0002","97.8087","0.0016","104.279","0.0015","107.501","0.0015","779.3","0.03","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 Au Cl I N -","- C18 H12 Au Cl I N -","- C36 H24 Au2 Cl2 I2 N2 -","2","1","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0202","0.0179","","","0.0404","0.0409","","","","","","1.039","","","","has coordinates","270106","2021-10-28","22:28:16",""
"1565051","32.0368","0.0005","9.95226","0.00015","19.0362","0.0003","90","","105.875","0.0017","90","","5838","0.16","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Au Cl I P -","- C33 H38 Au Cl I P -","- C264 H304 Au8 Cl8 I8 P8 -","8","1","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0208","0.0168","","","0.0364","0.0373","","","","","","1.04","","","","has coordinates","270106","2021-10-28","22:28:17",""
"1565052","14.9836","0.0005","18.8065","0.0004","10.73917","0.00019","90","","104.561","0.002","90","","2928.98","0.13","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 Au Cl2 P -","- C34 H40 Au Cl2 P -","- C136 H160 Au4 Cl8 P4 -","4","1","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0639","0.0418","","","0.0824","0.0897","","","","","","1.097","","","","has coordinates","270106","2021-10-28","22:28:17",""
"1565053","9.92305","0.00009","19.50021","0.00019","17.045","0.0002","90","","98.0719","0.001","90","","3265.56","0.06","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 Au Cl5 P -","- C34 H39 Au Cl5 P -","- C136 H156 Au4 Cl20 P4 -","4","1","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0249","0.0213","","","0.046","0.0474","","","","","","1.036","","","","has coordinates","270106","2021-10-28","22:28:17",""
"1565054","18.60588","0.00014","12.96449","0.00011","25.8472","0.0003","90","","92.3246","0.0008","90","","6229.62","0.1","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H53 B Cl F24 P -","- C66 H53 B Cl F24 P -","- C264 H212 B4 Cl4 F96 P4 -","4","1","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","1.54184","CuKα","","0.0858","0.0777","","","0.2114","0.2209","","","","","","1.06","","","","has coordinates,has disorder","270106","2021-10-28","22:28:17",""
"1565055","23.48871","0.00018","14.9586","0.00011","29.4123","0.0003","90","","108.863","0.0009","90","","9779.22","0.15","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H107 Au2 Cl15 P4 -","- C87 H107 Au2 Cl15 P4 -","- C348 H428 Au8 Cl60 P16 -","4","1","","Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina","Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides","Chemical Science","2021","","","","","10.1039/D1SC03814A","","x-ray","0.71073","MoKα","","0.0748","0.0412","","","0.0816","0.0962","","","","","","1.029","","","","has coordinates,has disorder","270106","2021-10-28","22:28:18",""
"1565056","18.1149","0.0005","7.9429","0.0002","18.0218","0.0005","90","","90","","90","","2593.06","0.12","111","3","111","3","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 H8 N2 O -","- C6 H8 N2 O -","- C96 H128 N32 O16 -","16","2","","Greener, Andrew John; Ubysz, Patrycja; Owens-Ward, Will; Smith, George; Ocaña, Ivan; Whitwood, Adrian Charles; Chechik, Victor; James, Michael J.","Radical–Anion Coupling Through Reagent Design: Hydroxylation of Aryl Halides","Chemical Science","2021","","","","","10.1039/D1SC04748E","","x-ray","0.71073","MoKα","","0.0643","0.047","","","0.1156","0.1261","","","","","","1.063","","","","has coordinates","270107","2021-10-28","22:29:31",""
"1565057","9.5","0.0003","11.7569","0.0003","18.0932","0.0005","90","","101.562","0.003","90","","1979.83","0.1","109.9","0.6","109.9","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N3 O -","- C23 H31 N3 O -","- C92 H124 N12 O4 -","4","1","","Greener, Andrew John; Ubysz, Patrycja; Owens-Ward, Will; Smith, George; Ocaña, Ivan; Whitwood, Adrian Charles; Chechik, Victor; James, Michael J.","Radical–Anion Coupling Through Reagent Design: Hydroxylation of Aryl Halides","Chemical Science","2021","","","","","10.1039/D1SC04748E","","x-ray","1.54184","CuKα","","0.0422","0.0353","","","0.0874","0.0928","","","","","","1.021","","","","has coordinates","270107","2021-10-28","22:29:32",""
"1565058","24.6432","0.0012","25.1083","0.0012","25.5393","0.0013","117.118","0.002","114.422","0.002","91.982","0.002","12312.2","1.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","Th-SINAP-200","","- C161 H105 N5 O40 Th6 -","- C161 H105 N5 O40 Th6 -","- C322 H210 N10 O80 Th12 -","2","1","","Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian","A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition","Chemical Science","2021","","","","","10.1039/D1SC03709A","","","0.71073","MoKα","","0.108","0.0572","","","0.1298","0.1563","","","","","","1.027","","","","has coordinates,has disorder","270108","2021-10-28","22:31:50",""
"1565059","42.013","0.002","25.8483","0.0014","26.0312","0.0014","90","","120.728","0.002","90","","24300","2","120","","120","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C79 H49 N2 O19 Th3 -","- C79 H49 N2 O19 Th3 -","- C632 H392 N16 O152 Th24 -","8","1","","Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian","A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition","Chemical Science","2021","","","","","10.1039/D1SC03709A","","","0.71073","MoKα","","0.0791","0.0476","","","0.1235","0.1368","","","","","","1.054","","","","has coordinates","270108","2021-10-28","22:31:51",""
"1565060","48.68","0.03","20.234","0.011","43.14","0.02","90","","109.987","0.016","90","","39933","4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Th-SINAP-202","","- C156 H96 N4 O37 Th6 -","- C156 H96 N4 O37 Th6 -","- C1248 H768 N32 O296 Th48 -","8","1","","Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian","A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition","Chemical Science","2021","","","","","10.1039/D1SC03709A","","","0.71073","MoKα","","0.2508","0.2099","","","0.5158","0.5659","","","","","","1.467","","","","has coordinates","270108","2021-10-28","22:31:51",""
"1565061","24.163","0.009","26.423","0.009","36.034","0.013","93.359","0.01","92.771","0.011","90.421","0.009","22939","14","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C312 H192 N8 O72 Th12 -","- C312 H192 N8 O72 Th12 -","- C624 H384 N16 O144 Th24 -","2","1","","Li, Zi-Jian; Lei, Min; Bao, Hong-liang; Yu, Ju; Lu, Huangjie; Li, Yongxin; Zhang, Zhi-Hui; Guo, Xiaofeng; Qian, Yuan; He, Mingyang; Wang, Jian-Qiang; Liu, Wei; Lin, Jian","A Cationic Thorium-Organic Framework with Triple Single-Crystal-to-Single-Crystal Transformation Peculiarities for Ultrasensitive Anion Recognition","Chemical Science","2021","","","","","10.1039/D1SC03709A","","","0.71073","MoKα","","0.3032","0.1935","","","0.4924","0.5742","","","","","","1.169","","","","has coordinates","270108","2021-10-28","22:31:51",""
"1565062","12.8408","0.0005","27.5925","0.0009","19.8503","0.0006","90","","92.256","0.003","90","","7027.7","0.4","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H103 Al2 Mn N4 O4 -","- C74 H103 Al2 Mn N4 O4 -","- C296 H412 Al8 Mn4 N16 O16 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.133","0.0843","","","0.2249","0.2668","","","","","","1.028","","","","has coordinates,has disorder","270109","2021-10-28","22:35:33",""
"1565063","13.5551","0.0002","15.5294","0.0003","36.6963","0.001","90","","95.819","0.002","90","","7684.9","0.3","173.1","0.2","173.1","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H106 Al2 N4 O6 Re -","- C83 H106 Al2 N4 O6 Re -","- C332 H424 Al8 N16 O24 Re4 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.0745","0.0491","","","0.1123","0.1287","","","","","","1.016","","","","has coordinates,has disorder","270109","2021-10-28","22:35:33",""
"1565064","28.5349","0.0005","20.7875","0.0003","26.1992","0.0005","90","","112.641","0.002","90","","14342.9","0.5","173","0.3","173","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67.62 H84.75 Al2 Mo N4 O8 -","- C67.625 H84.75 Al2 Mo N4 O8 -","- C541 H678 Al16 Mo8 N32 O64 -","8","2","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.1099","0.0702","","","0.1922","0.2193","","","","","","0.94","","","","has coordinates","270109","2021-10-28","22:35:33",""
"1565065","16.8869","0.0007","22.7289","0.0009","19.8568","0.0009","90","","91.256","0.004","90","","7619.6","0.6","173.1","0.2","173.1","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H105 Al2 Mn N4 O6 -","- C84 H105 Al2 Mn N4 O6 -","- C336 H420 Al8 Mn4 N16 O24 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.1357","0.0752","","","0.1923","0.2248","","","","","","0.864","","","","has coordinates,has disorder","270109","2021-10-28","22:35:33",""
"1565066","15.2826","0.0005","21.3743","0.0009","21.5531","0.0008","90","","92.741","0.003","90","","7032.4","0.5","173","0.3","173","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H90 Al2 Cr N4 O9 -","- C74 H90 Al2 Cr N4 O9 -","- C296 H360 Al8 Cr4 N16 O36 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","","1.54184","CuKα","","0.1154","0.0635","","","0.121","0.148","","","","","","1.033","","","","has coordinates","270109","2021-10-28","22:35:34",""
"1565067","27.4194","0.0008","12.1333","0.0004","24.929","0.0009","90","","102.408","0.003","90","","8099.9","0.5","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H100 Al2 Cr N4 O8 -","- C87 H103 Al2 Cr N4 O8 -","- C348 H412 Al8 Cr4 N16 O32 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.1209","0.0584","","","0.1145","0.139","","","","","","0.998","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565068","17.3541","0.0004","20.334","0.0005","45.6601","0.0019","90","","90","","90","","16112.5","0.9","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H102 Al2 N4 O5 Re -","- C76 H102 Al2 N4 O5 Re -","- C608 H816 Al16 N32 O40 Re8 -","8","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.0741","0.0535","","","0.1482","0.1669","","","","","","1.039","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565069","16.8912","0.0005","20.7695","0.0008","19.8211","0.0008","90","","90.526","0.003","90","","6953.4","0.4","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H96 Al2 Mn N4 O5 -","- C76 H96 Al2 Mn N4 O5 -","- C304 H384 Al8 Mn4 N16 O20 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.1176","0.0765","","","0.1917","0.2194","","","","","","1.04","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565070","15.5122","0.0005","12.6927","0.0003","36.0314","0.0009","90","","96.194","0.003","90","","7052.9","0.3","173.05","0.1","173.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H90 Al2 Mo N4 O9 -","- C74 H90 Al2 Mo N4 O9 -","- C296 H360 Al8 Mo4 N16 O36 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","1.54184","CuKα","","0.0578","0.044","","","0.1143","0.1248","","","","","","1.043","","","","has coordinates","270109","2021-10-28","22:35:34",""
"1565071","13.046","0.0002","25.0267","0.0005","22.6264","0.0005","90","","96.9581","0.0019","90","","7333.1","0.2","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H105 Al2 Co N4 O4 -","- C80 H105 Al2 Co N4 O4 -","- C320 H420 Al8 Co4 N16 O16 -","4","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.0842","0.0527","","","0.1225","0.1386","","","","","","1.018","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565072","45.706","0.002","17.2177","0.0017","20.3938","0.0017","90","","90","","90","","16049","2","173","0.14","173","0.14","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C80.5 H115 Al2 N4 O5 Re -","- C80.5 H115 Al2 N4 O5 Re -","- C644 H920 Al16 N32 O40 Re8 -","8","1","","Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria","Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation","Chemical Science","2021","","","","","10.1039/D1SC04940B","","x-ray","0.71073","MoKα","","0.1069","0.0766","","","0.1503","0.1662","","","","","","1.15","","","","has coordinates,has disorder","270109","2021-10-28","22:35:34",""
"1565073","9.27977","0.00015","15.8832","0.0002","17.3902","0.0003","88.345","0.0012","82.9269","0.0013","86.1875","0.0012","2537.49","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N4 Y -","- C28 H34 N4 Y -","- C112 H136 N16 Y4 -","4","2","","Delano IV, Francis; Castellanos, Ernesto; McCracken, John; Demir, Selvan","A rare earth metallocene containing a 2,2′-azopyridyl radical anion","Chemical Science","2021","","","","","10.1039/D1SC04285H","","x-ray","1.54184","CuKα","","0.0474","0.044","","","0.111","0.1137","","","","","","1.082","","","","has coordinates,has disorder","270110","2021-10-28","22:37:31",""
"1565074","5.97246","0.00016","9.0205","0.0002","36.0997","0.0009","90","","90","","90","","1944.86","0.08","292.9","0.6","292.9","0.6","","","","","","","","5","P b c 21","P 2c -2b","29","","","","- C18 H24 Cl2 N2 O4 -","- C18 H24 Cl2 N2 O4 -","- C72 H96 Cl8 N8 O16 -","4","1","","Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan","A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence","Chemical Science","2021","","","","","10.1039/D1SC04806F","","x-ray","0.71","MoKα","","0.091","0.0884","","","0.2492","0.2533","","","","","","1.071","","","","has coordinates","270111","2021-10-28","22:38:10",""
"1565075","35.8606","0.0014","4.5496","0.0001","6.1929","0.0003","90","","90","","90","","1010.38","0.07","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H13 Br N O2 -","- C9 H12 Br N O2 -","- C36 H48 Br4 N4 O8 -","4","1","","Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan","A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence","Chemical Science","2021","","","","","10.1039/D1SC04806F","","","0.71","MoKα","","0.0677","0.0512","","","0.1359","0.1516","","","","","","1.122","","","","has coordinates","270111","2021-10-28","22:38:11",""
"1565076","18.5171","0.0001","18.5171","0.0001","7.067","0.0001","90","","90","","90","","2423.15","0.04","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetone pentasolvate","","- C49 H66 B4 O13 -","- C49 H66 B4 O13 -","- C98 H132 B8 O26 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.0947","0.0958","","","0.1964","0.197","","","","","","1.214","","","","has coordinates,has disorder","271178","2021-12-07","03:09:06",""
"1565077","18.8442","0.0015","18.8442","0.0015","7.0478","0.0006","90","","90","","90","","2502.7","0.4","100","2","100","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethyl sulfoxide pentasolvate","","- C44 H60 B4 O13 S5 -","- C44 H60 B4 O13 S5 -","- C88 H120 B8 O26 S10 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1317","0.1168","","","0.2442","0.2522","","","","","","1.205","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565078","11.2591","0.0007","11.2591","0.0007","7.1282","0.0005","90","","90","","90","","903.62","0.1","100.01","0.1","100","1","","","","","","","","4","P -4","P -4","81","","tetrakis(4-metoxyhydroxyborylphenyl)adamantane water disolvate","","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","- C38 H48 B4 O10 -","1","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54184","CuKα","","0.0741","0.064","","","0.1759","0.1872","","","","","","1.066","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565079","17.4201","0.0007","17.4201","0.0007","26.248","0.003","90","","90","","90","","7965.2","1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","tetrakis(4-dihydroxyborylphenyl)adamantane dioxane disolvate water monosolvate","","- C42 H54 B4 O13 -","- C42 H54 B4 O13 -","- C336 H432 B32 O104 -","8","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54178","CuKα","","0.127","0.1118","","","0.3483","0.3637","","","","","","1.67","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565080","18.7776","0.0003","18.7776","0.0003","7.0172","0.0003","90","","90","","90","","2474.25","0.12","100","2","95","2","","","","","","","","6","P 4/n :2","-P 4a","85","","tetrakis(4-dihydroxyborylphenyl)adamantane acetonitrile monosolvate dimethyl sulfoxide tetrasolvate","","- C43 H61.5 B4 N0.5 O12 S4 -","- C43 H61.5 B4 N0.5 O12 S4 -","- C86 H123 B8 N O24 S8 -","2","0.25","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.54178","CuKα","","0.1126","0.0825","","","0.2422","0.2699","","","","","","1.055","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565081","16.1648","0.0015","16.1648","0.0015","7.1212","0.0012","90","","90","","90","","1860.8","0.4","100","2","100.01","0.1","","","","","","","","5","P 4/n :2","-P 4a","85","","tetrakis(4-(hydroxymetoxy)borylphenyl)adamantane urea cocrystal","","- C19.5 H24 B2 N O4.5 -","- C19.5 H24 B2 N O4.5 -","- C78 H96 B8 N4 O18 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","x-ray","1.54184","CuKα","","0.1946","0.1508","","","0.3939","0.4235","","","","","","1.114","","","","has coordinates,has disorder","271178","2021-12-07","03:09:07",""
"1565082","30.202","0.013","7.1631","0.0002","25.857","0.005","90","","117.95","0.04","90","","4941","3","100","2","100","0.02","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrakis(4-dihydroxyborylphenyl)adamantane dimethylformamide tetrasolvate","","- C46 H63 B4 N4 O12 -","- C46 H63 B4 N4 O12 -","- C184 H252 B16 N16 O48 -","4","0.5","","Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof","Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton","CrystEngComm","2021","23","46","8169","8182","10.1039/D1CE01297E","","","1.5418","CuKα","","0.1033","0.0759","","","0.2133","0.2391","","","","","","1.02","","","","has coordinates","271178","2021-12-07","03:09:07",""
"1565083","12.652","0.002","23.512","0.003","13.643","0.002","90","","99.32","0.02","90","","4004.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H63 K N3 O3 P S -","- C36.996 H62.992 K N3 O2.999 P S -","- C147.984 H251.968 K4 N12 O11.996 P4 S4 -","4","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0472","0.0345","","","0.0801","0.0872","","","","","","1.037","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565084","35.479","0.003","15.397","0.002","20.521","0.002","90","","94.93","0.02","90","","11169","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.12 H82.47 Cl N6 O0.38 P2 S2 Tb -","- C52.117 H82.468 Cl N6 O0.383 P2 S2 Tb -","- C416.936 H659.744 Cl8 N48 O3.064 P16 S16 Tb8 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0469","0.0289","","","0.0542","0.0594","","","","","","1.016","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565085","35.495","0.003","15.308","0.002","20.513","0.002","90","","94.92","0.02","90","","11105","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.09 H82.38 Cl Er N6 O0.41 P2 S2 -","- C52.094 H82.376 Cl Er N6 O0.406 P2 S2 -","- C416.752 H659.008 Cl8 Er8 N48 O3.248 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0372","0.0239","","","0.046","0.0501","","","","","","1.029","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565086","35.511","0.003","15.33","0.002","20.538","0.002","90","","95.09","0.02","90","","11136","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.14 H82.56 Cl Ho N6 O0.36 P2 S2 -","- C52.141 H82.564 Cl Ho N6 O0.359 P2 S2 -","- C417.128 H660.512 Cl8 Ho8 N48 O2.872 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0403","0.0252","","","0.0472","0.052","","","","","","1.014","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565087","35.623","0.004","15.253","0.002","20.56","0.003","90","","95.54","0.02","90","","11119","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.27 H83.08 Cl Lu N6 O0.23 P2 S2 -","- C52.2709 H83.0836 Cl Lu N6 O0.2291 P2 S2 -","- C418.167 H664.669 Cl8 Lu8 N48 O1.8328 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0339","0.0223","","","0.043","0.0464","","","","","","1.012","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565088","35.454","0.004","15.335","0.002","20.523","0.003","90","","95.29","0.02","90","","11111","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52.25 H82.99 Cl Dy N6 O0.25 P2 S2 -","- C52.248 H82.992 Cl Dy N6 O0.252 P2 S2 -","- C417.984 H663.936 Cl8 Dy8 N48 O2.016 P16 S16 -","8","1","","Jung, Jochen; Legendre, Christina M.; Demeshko, Serhiy; Herbst-Irmer, Regine; Stalke, Dietmar","Imidosulfonate scorpionate ligands in lanthanide single-molecule magnet design: slow magnetic relaxation and butterfly hysteresis in [ClDy{Ph <sub>2</sub> PCH <sub>2</sub> S(N <i>t</i> Bu) <sub>3</sub> } <sub>2</sub> ]","Dalton Transactions","2021","50","46","17194","17201","10.1039/D1DT03555J","","","0.56086","AgKα","","0.0394","0.025","","","0.0478","0.0526","","","","","","1.021","","","","has coordinates,has disorder","282777","2023-04-20","11:56:53",""
"1565089","6.1484","0.0003","10.5215","0.0007","11.0081","0.0009","67.308","0.007","75.384","0.006","85.216","0.005","635.66","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br2 N2 O6 -","- C26 H24 Br2 N2 O6.064 -","- C26 H24 Br2 N2 O6.064 -","1","0.5","","Zhang, Zhenyu; Sun, Yu; Zhao, Xu; Jin, Nanxi; Xi, Gaolei; Zhang, Xuedong; Cao, Jingjin; Wu, Jia; Fan, Xia; Qin, Wenping","Novel isoindigo compound with aggregation-induced emission: Br-Br bonding joint restriction of intramolecular motion and cell imaging properties.","Soft matter","2021","17","43","9866","9870","10.1039/d1sm00935d","","","1.54178","CuKα","","0.0458","0.0378","","","0.1168","0.1371","","","","","","0.779","","","","has coordinates,has disorder","271235","2021-12-07","04:03:00",""
"1565090","19.2135","0.0003","19.2135","0.0003","12.0481","0.0002","90","","90","","120","","3851.79","0.11","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","K2Ba3Li6Ga28S49","","","- Ba3 Ga28 K2 Li6 S49 -","- Ba3.01 Ga28 K1.99 Li6 S49 -","- Ba6.02 Ga56 K3.98 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0178","0.0161","","","0.0333","0.0337","","","","","","1.057","","","","has coordinates","271239","2021-12-07","04:04:11",""
"1565091","19.306","0.0004","19.306","0.0004","12.0861","0.0004","90","","90","","120","","3901.23","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Cs2Ba3Li6Ga28S49","","","- Ba3 Cs2 Ga28 Li6 S49 -","- Ba3.01 Cs1.99 Ga28 Li6 S49 -","- Ba6.02 Cs3.98 Ga56 Li12 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0275","0.0239","","","0.0546","0.0559","","","","","","1.036","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565092","19.2355","0.0004","19.2355","0.0004","12.0475","0.0004","90","","90","","120","","3860.42","0.17","293","2","293","2","","","","","","","","5","P 63 c m","P 6c -2","185","Rb2Ba3Li6Ga28S49","","","- Ba3 Ga28 Li6 Rb2 S49 -","- Ba3.01 Ga28 Li6 Rb1.99 S49 -","- Ba6.02 Ga56 Li12 Rb3.98 S98 -","2","0.166667","","Liu, Bin-Wen; Jiang, Xiao-Ming; Pei, Shao-Min; Chen, Wen-Fa; Yang, Long-Qi; Guo, Guo-Cong","Balanced infrared nonlinear optical performance achieved by modulating the covalency and ionicity distributions in the electron localization function map.","Materials horizons","2021","8","12","3394","3398","10.1039/d1mh01434j","","","0.71073","MoKα","","0.0206","0.018","","","0.0426","0.0435","","","","","","1.016","","","","has coordinates","271239","2021-12-07","04:04:12",""
"1565093","18.9032","0.0003","7.449","0.0001","38.5591","0.0005","90","","96.953","0.001","90","","5389.57","0.13","93","2","93","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene","","- C40 H26 -","- C40 H26 -","- C320 H208 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0411","0.035","","","0.0884","0.0921","","","","","","1.058","","","","has coordinates,has disorder","271236","2021-12-07","04:03:31",""
"1565094","18.8241","0.0003","7.5014","0.0002","38.7559","0.0008","90","","96.531","0.002","90","","5437.1","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0542","0.0425","","","0.1056","0.1129","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565095","18.8388","0.0004","7.4948","0.0002","38.7701","0.0009","90","","96.653","0.002","90","","5437.2","0.2","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.396 H27.188 O0.198 -","- C323.168 H217.504 O1.584 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0641","0.047","","","0.1132","0.1223","","","","","","1.053","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565096","18.8286","0.0003","7.498","0.0001","38.7615","0.0006","90","","96.684","0.001","90","","5435.03","0.14","93","2","93","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","9-(4-(naphthalen-1-yl)phenyl)-10-(naphthalen-2-yl)anthracene ethanol solvate","","- C40.4 H27.2 O0.2 -","- C40.394 H27.182 O0.197 -","- C323.152 H217.456 O1.576 -","8","1","","Enomoto, Riku; Hoshi, Megumi; Oyama, Hironaga; Agata, Hideki; Kurokawa, Shinichi; Kuma, Hitoshi; Uekusa, Hidehiro; Murakami, Yoichi","van der Waals solid solution crystals for highly efficient in-air photon upconversion under subsolar irradiance.","Materials horizons","2021","8","12","3449","3456","10.1039/d1mh01542g","","x-ray","1.54184","CuKα","","0.0476","0.0401","","","0.0991","0.1034","","","","","","1.033","","","","has coordinates,has disorder","271236","2021-12-07","04:03:37",""
"1565097","21.4648","0.0016","21.4648","0.0016","8.7366","0.0007","90","","90","","120","","3486","0.5","120","2","120","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H21 Br3 -","- C30 H21 Br3 -","- C180 H126 Br18 -","6","0.333333","","Farias, Giliandro; Salla, Cristian A.M.; Murat , Aydemir; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H.","Halogenation of a twisted non-polar π-system as a tool to modulate phosphorescence at room temperature","Chemical Science","2021","","","","","10.1039/D1SC04936D","","","0.71073","MoKα","","0.0214","0.0201","","","0.0471","0.0475","","","","","","1.073","","","","has coordinates","270186","2021-11-01","23:10:31",""
"1565098","21.1589","0.001","21.1589","0.001","8.6542","0.0005","90","","90","","120","","3355.4","0.3","120","2","120","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H21 Cl3 -","- C30 H21 Cl3 -","- C180 H126 Cl18 -","6","0.333333","","Farias, Giliandro; Salla, Cristian A.M.; Murat , Aydemir; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H.","Halogenation of a twisted non-polar π-system as a tool to modulate phosphorescence at room temperature","Chemical Science","2021","","","","","10.1039/D1SC04936D","","","0.71073","MoKα","","0.0296","0.0284","","","0.0766","0.0777","","","","","","1.09","","","","has coordinates","270186","2021-11-01","23:10:32",""
"1565099","9.531","0.003","5.495","0.0006","9.53","0.003","90","","108.848","0.009","90","","472.4","0.2","","","298","","","","100","","","","","5","C 1 2/c 1","-C 2yc","15","1/8PbVO3-7/8BiCrO3","","","- Bi0.875 Cr0.875 O3 Pb0.125 V0.125 -","- Bi0.875 Cr0.875 O3 Pb0.125 V0.125 -","- Bi7 Cr7 O24 Pb V -","8","1","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8BiCrO3-1/8PbVO3 monoclinic phase at room temperature","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270203","2021-11-02","08:30:43",""
"1565100","3.9387","0.0001","3.9387","0.0001","3.9387","0.0001","90","","90","","90","","61.102","0.003","","","973","","","","100","","","","","5","P m -3 m","-P 4 2 3","221","7/8PbVO3-1/8BiCrO3 at 700 C","","","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","1","0.0208333","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 cubic phase at 700 C","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270205","2021-11-02","08:31:47",""
"1565101","3.8484","0.00008","3.8484","0.00008","4.48551","0.00008","90","","90","","90","","66.431","0.002","","","973","","","","100","","","","","5","P 4 m m","P 4 -2","99","7/8PbVO3-1/8BiCrO3 at 700 C","","","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","1","0.125","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 tetragonal phase at 700 C","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270206","2021-11-02","08:32:40",""
"1565102","3.83568","0.00005","3.83568","0.00005","4.449","0.0001","90","","90","","90","","65.4557","0.0019","","","298","","","","100","","","","","5","P 4 m m","P 4 -2","99","7/8PbVO3-1/8BiCrO3","","","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","- Bi0.125 Cr0.125 O3 Pb0.875 V0.875 -","1","0.125","","Yamamoto, H.; Aizawa, H.; Yamada, I.; Toda, K.; Tanaka, A.; Azuma, M.; Sakai, Y.; Nishikubo, T.; Kimura, H.","Crystal structures and electronic states of high-pressure synthesized (1-x)PbVO3-xBiCrO3 solid solutions : 7/8PbVO3-1/8BiCrO3 tetragonal phase at room temperature","Journal of Asian Ceramic Societies","2021","9","","1147","1153","10.1080/21870764.2021.1944556","","","","","","","","","","","","","","","","","","","","","has coordinates","270207","2021-11-02","08:33:24",""
"1565103","27.0219","0.0003","9.8218","0.0001","18.6325","0.0002","90","","90","","90","","4945.13","0.09","150","","150","","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C16 H17 Cl2 F6 I N2 O6 S2 -","- C16 H17 Cl2 F6 I N2 O6 S2 -","- C128 H136 Cl16 F48 I8 N16 O48 S16 -","8","2","","Bakro, Aseel; Sharp-Bucknall, Lachlan; Poynder, Tiffany B.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L.","Lewis acid activation of Weiss’ reagents ([PhI(Pyr) <sub>2</sub> ] <sup>2+</sup> ) with boranes and isolation of [PhI(4-DMAP)] <sup>2+</sup>","Chemical Communications","2021","57","91","12163","12166","10.1039/D1CC04725F","","","1.54184","CuKα","","0.0549","0.0538","","","0.1403","0.1417","","","","","","1.0344","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1565104","13.3541","0.0005","29.4601","0.0011","14.08","0.0005","90","","93.271","0.001","90","","5530.2","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H79 Cr3 N7 Si3 -","- C56 H79 Cr3 N7 Si3 -","- C224 H316 Cr12 N28 Si12 -","4","1","","Bartholomew, Amymarie K.; Chen, Yu-Sheng; Grass Wang, Suyin; Bu, Wei; Dong, Yuyang; Juda, Cristin E.; Betley, Theodore; Anderton, Kevin J.; Musgrave, Rebecca A.","Revealing Redox Isomerism in Trichromium Imides by Anomalous Diffraction","Chemical Science","2021","","","","","10.1039/D1SC04819H","","","0.41328","synchrotron","","0.0548","0.0398","","","0.1019","0.1103","","","","","","1.032","","","","has coordinates","270273","2021-11-03","23:16:18",""
"1565105","12.4743","0.0005","14.4695","0.0007","17.6459","0.0008","104.191","0.001","90.552","0.001","105.924","0.001","2959.2","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H86 Cr3 N8 O Si3 -","- C58 H86 Cr3 N8 O Si3 -","- C116 H172 Cr6 N16 O2 Si6 -","2","1","","Bartholomew, Amymarie K.; Chen, Yu-Sheng; Grass Wang, Suyin; Bu, Wei; Dong, Yuyang; Juda, Cristin E.; Betley, Theodore; Anderton, Kevin J.; Musgrave, Rebecca A.","Revealing Redox Isomerism in Trichromium Imides by Anomalous Diffraction","Chemical Science","2021","","","","","10.1039/D1SC04819H","","","0.41328","synchrotron","","0.0765","0.0492","","","0.1084","0.1241","","","","","","1.024","","","","has coordinates,has disorder","270273","2021-11-03","23:16:19",""
"1565106","22.7073","0.0005","22.7073","0.0005","9.0908","0.0002","90","","90","","120","","4059.42","0.15","292","110","292","110","","","","","","","","5","P 61","P 61","169","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C168 H168 N12 O24 S6 -","6","1","","Mukherjee, Kallol; Grimblat, Nicolas; Sau, Somratan; Ghosh, Koushik; Shankar, Majji; Gandon, Vincent; Sahoo, Akhila K.","Kinetic resolution of sulfur-stereogenic sulfoximines by Pd(ii)–MPAA catalyzed C–H arylation and olefination","Chemical Science","2021","","","","","10.1039/D1SC04299H","","x-ray","0.71073","MoKα","","0.0831","0.0519","","","0.1281","0.145","","","","","","1.015","","","","has coordinates","270274","2021-11-03","23:17:19",""
"1565107","9.2225","0.0002","15.1104","0.0003","18.1484","0.0004","90","","90","","90","","2529.08","0.09","111","15","111","15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C100 H128 N8 O20 S4 -","4","1","","Mukherjee, Kallol; Grimblat, Nicolas; Sau, Somratan; Ghosh, Koushik; Shankar, Majji; Gandon, Vincent; Sahoo, Akhila K.","Kinetic resolution of sulfur-stereogenic sulfoximines by Pd(ii)–MPAA catalyzed C–H arylation and olefination","Chemical Science","2021","","","","","10.1039/D1SC04299H","","x-ray","0.71073","MoKα","","0.0313","0.0298","","","0.0741","0.0749","","","","","","1.0345","","","","has coordinates","270274","2021-11-03","23:17:19",""
"1565108","9.243","0.0002","10.9509","0.0003","13.4319","0.0004","90","","90","","90","","1359.57","0.06","150","2","150.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Li-Bin, Lin; Xiao, Jian; Zhang, Qiang; Han, Rui; Xu, Biao; Yang, Sheng-Xiang; Han, Wen-Bo; Tang, Jiang-Jiang; Gao, Jin-Ming","Eremophilane Sesquiterpenoids with Antibacterial and Anti-inflammatory Activities from the Endophytic Fungus <i>Septoria rudbeckiae</i>.","Journal of agricultural and food chemistry","2021","69","40","11878","11889","10.1021/acs.jafc.1c04131","","","1.54184","CuKα","","0.0417","0.0358","","","0.0765","0.0791","","","","","","1.118","","","","has coordinates","270279","2021-11-04","00:07:10",""
"1565109","22.9072","0.0004","7.95806","0.00017","23.4273","0.0004","90","","106.561","0.0019","90","","4093.56","0.14","291.27","0.19","291.27","0.19","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C180 H216 O36 -","12","3","","Yin, Guo-Ping; Gong, Man; Xue, Gui-Min; Gong, Tian; Cao, Xue; Wang, Weiyi; Hu, Chang-Hua","Penispidins A-C, Aromatic Sesquiterpenoids from <i>Penicillium virgatum</i> and Their Inhibitory Effects on Hepatic Lipid Accumulation.","Journal of natural products","2021","84","10","2623","2629","10.1021/acs.jnatprod.1c00185","","x-ray","1.54184","CuKα","","0.1383","0.1217","","","0.4237","0.4419","","","","","","1.796","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565110","10.4368","0.0008","15.0153","0.0013","15.8342","0.0011","90","","90","","90","","2481.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O11 -","- C26 H32 O11 -","- C104 H128 O44 -","4","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0843","0.0574","","","0.1314","0.1458","","","","","","1.041","","","","has coordinates","270281","2021-11-04","00:34:41",""
"1565111","8.2185","0.0002","8.4465","0.0002","10.2022","0.0003","112.706","0.003","95.017","0.002","110.165","0.002","593.06","0.03","106","9","106","9","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 O10 -","- C26 H32 O10 -","- C26 H32 O10 -","1","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0253","0.025","","","0.0647","0.0648","","","","","","1.102","","","","has coordinates","270282","2021-11-04","00:34:57",""
"1565112","12.2213","0.0003","13.16","0.0003","16.3151","0.0003","90","","90","","90","","2624","0.1","99.9","0.7","99.9","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O11 -","- C27 H36 O11 -","- C108 H144 O44 -","4","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0595","0.047","","","0.1156","0.1237","","","","","","1.054","","","","has coordinates","270283","2021-11-04","00:35:29",""
"1565113","8.323","0.0001","13.9278","0.0002","11.0616","0.0002","90","","104.636","0.001","90","","1240.66","0.03","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H36 O10 -","- C27 H36 O10 -","- C54 H72 O20 -","2","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0356","0.0352","","","0.0962","0.0964","","","","","","1.081","","","","has coordinates","270284","2021-11-04","00:36:00",""
"1565114","10.1344","0.0015","11.872","0.0018","24.645","0.003","89.272","0.004","83.728","0.004","78.417","0.004","2887.3","0.7","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H71 N2 O2 -","- C74 H71 N2 O2 -","- C148 H142 N4 O4 -","2","1","","Usta, Hakan; Cosut, Bunyemin; Alkan, Fahri","Understanding and Tailoring Excited State Properties in Solution-Processable Oligo(<i>p</i>-phenyleneethynylene)s: Highly Fluorescent Hybridized Local and Charge Transfer Character via Experiment and Theory.","The journal of physical chemistry. B","2021","125","42","11717","11731","10.1021/acs.jpcb.1c07165","","","0.71073","MoKα","","0.1673","0.0781","","","0.1686","0.2087","","","","","","1.027","","","","has coordinates","270285","2021-11-04","01:14:40",""
"1565115","16.6705","0.0015","13.9677","0.0012","9.4774","0.0008","90","","93.11","0.002","90","","2203.5","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C120 H76 Cl4 N8 -","4","1","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.0963","0.0576","","","0.1189","0.1611","","","","","","1.134","","","","has coordinates","270290","2021-11-04","01:43:41",""
"1565116","9.2405","0.0008","29.612","0.002","16.2931","0.0013","90","","96.573","0.003","90","","4429","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C240 H152 Cl8 N16 -","8","2","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.128","0.0585","","","0.1009","0.1218","","","","","","1.016","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565117","9.2679","0.0008","14.4507","0.0011","25.754","0.002","89.104","0.003","88.444","0.003","81.598","0.003","3410.7","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C180 H114 Cl6 N12 -","6","3","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.1458","0.0642","","","0.1177","0.144","","","","","","1.021","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565118","9.2641","0.0005","14.4485","0.0008","25.7528","0.0014","89.128","0.002","88.531","0.002","81.574","0.002","3408.5","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 Cl N2 -","- C30 H19 Cl N2 -","- C180 H114 Cl6 N12 -","6","3","","Wu, Ni; Xiao, Hui; Lou, Yuheng; Han, Mingxi; Guo, Zhiyong; Zhan, Hongbing","Manipulating the Position of Triplet Chromophores To Achieve a Dynamic Photoactivated Ultralong Organic Phosphorescence Effect","The Journal of Physical Chemistry C","2021","125","41","22848","22855","10.1021/acs.jpcc.1c06860","","","0.71073","MoKα","","0.153","0.0671","","","0.1218","0.1488","","","","","","1.021","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1565119","10.5351","0.0003","14.631","0.0004","11.9513","0.0003","90","","107.187","0.001","90","","1759.9","0.08","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N6 S -","- C16 H14 Cl2 N6 S -","- C64 H56 Cl8 N24 S4 -","4","1","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","","0.71073","MoKα","","0.0537","0.0439","","","0.1094","0.1155","","","","","","1.05","","","","has coordinates","270294","2021-11-04","01:45:50",""
"1565120","8.3523","0.0002","8.8031","0.0002","13.6886","0.0004","77.895","0.002","76.682","0.002","68.795","0.002","904.19","0.04","199.99","0.1","199.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C4 H3.5 N2 O1.5 S0.25 -","- C4 H3.5 N2 O1.5 S0.25 -","- C32 H28 N16 O12 S2 -","8","4","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","x-ray","1.54184","CuKα","","0.0641","0.0574","","","0.151","0.1562","","","","","","1.039","","","","has coordinates","270295","2021-11-04","01:46:21",""
"1565121","8.1317","0.0016","8.2472","0.0019","13.369","0.003","81.667","0.009","80.676","0.008","65.115","0.007","799.6","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl N6 S -","- C16 H13 Cl N6 S -","- C32 H26 Cl2 N12 S2 -","2","1","","Hu, Chen; Wang, Meiyi; Han, Xiao; Fan, Jingyi; Wei, Donghui; Ding, Jie; Ma, Zhiwei; Xiao, Guanjun; Zou, Bo; Hou, Hongwei","Fascinating Supramolecular Assembly through Noncovalent Interactions Involving Anions in Organic Ionic Crystals","The Journal of Physical Chemistry C","2021","125","40","22346","22353","10.1021/acs.jpcc.1c07151","","","0.71073","MoKα","","0.0496","0.0399","","","0.1054","0.1097","","","","","","1.08","","","","has coordinates","270296","2021-11-04","01:46:43",""
"1565124","17.9543","0.0013","20.7821","0.0016","33.976","0.003","89.44","","82.949","0.004","89.97","","12580.9","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H82 Cl2 N38 O16 Pt2 -","- C92 H82 Cl2 N38 O16 Pt2 -","- C368 H328 Cl8 N152 O64 Pt8 -","4","2","","Masson, Eric; Rabbani, Ramin; Saeedi, Sima; Nazimuddin, Md; Barbero, Hector; Kyritsakas, Nathalie; White, Travis A.","Enhanced photoreduction of water catalyzed by a cucurbit[8]uril-secured platinum dimer","Chemical Science","2021","","","","","10.1039/D1SC03743A","","","0.71073","MoKα","","0.1145","0.1011","","","0.2486","0.2554","","","","","","1.105","","","","has coordinates","270309","2021-11-04","23:15:26",""
"1565125","20.765","0.002","7.8674","0.0008","13.6282","0.0013","90","","110.216","0.005","90","","2089.2","0.4","150","2","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H25 Br N2 O3 -","- C25 H25 Br N2 O3 -","- C100 H100 Br4 N8 O12 -","4","1","","Xu, Wen-Lei; Zhao, Wei-Ming; Zhang, Ru-Xia; Chen, Jie; Zhou, Ling","Organocatalytic cycloaddition–elimination cascade for atroposelective construction of heterobiaryls","Chemical Science","2021","","","","","10.1039/D1SC05161J","","","1.34139","GaKα","","0.0488","0.048","","","0.1245","0.1252","","","","","","1.053","","","","has coordinates","270328","2021-11-05","23:11:12",""
"1565126","15.9745","0.0003","15.9745","0.0003","7.8531","0.0003","90","","90","","120","","1735.51","0.08","90","2","90","","","","","","","","","5","P 31","P 31","144","","","","- C30 H21 Br N2 O2 -","- C30 H21 Br N2 O2 -","- C90 H63 Br3 N6 O6 -","3","1","","Xu, Wen-Lei; Zhao, Wei-Ming; Zhang, Ru-Xia; Chen, Jie; Zhou, Ling","Organocatalytic cycloaddition–elimination cascade for atroposelective construction of heterobiaryls","Chemical Science","2021","","","","","10.1039/D1SC05161J","","","1.34139","GaKα","","0.0171","0.0171","","","0.0443","0.0443","","","","","","1.049","","","","has coordinates","270328","2021-11-05","23:11:12",""
"1565127","11.3631","0.0011","33.868","0.003","26.769","0.003","90","","101.816","0.002","90","","10083.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cl12 N20 O16 Zn2 -","- C82 H88 N20 O16 Zn2 -","- C328 H352 N80 O64 Zn8 -","4","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.1004","0.073","","","0.1836","0.202","","","","","","0.969","","","","has coordinates,has disorder","270329","2021-11-05","23:12:51",""
"1565128","11.7832","0.0011","12.9552","0.0012","22.918","0.002","90","","94.78","0.003","90","","3486.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cu N3 O -","- C40 H48 Cu N3 O -","- C160 H192 Cu4 N12 O4 -","4","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.0626","0.0433","","","0.1104","0.1236","","","","","","1.039","","","","has coordinates","270329","2021-11-05","23:12:51",""
"1565129","10.3648","0.001","8.5788","0.0008","10.6319","0.0009","90","","100.736","0.004","90","","928.81","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-(1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl) benzophenone imine","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.0948","0.0614","","","0.1225","0.1428","","","","","","1.153","","","","has coordinates","270329","2021-11-05","23:12:51",""
"1565130","16.2558","0.0013","7.4638","0.0006","11.6496","0.001","90","","101.984","0.002","90","","1382.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.0794","0.0438","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates","270329","2021-11-05","23:12:52",""
"1565131","12.8807","0.0005","15.561","0.0005","14.8263","0.0006","90","","108.036","0.002","90","","2825.71","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl4 Cu N3 -","- C30 H24 Cl4 Cu N3 -","- C120 H96 Cl16 Cu4 N12 -","4","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.026","0.0222","","","0.0552","0.057","","","","","","1.038","","","","has coordinates","270329","2021-11-05","23:12:52",""
"1565132","15.755","0.004","9.051","0.002","18.592","0.004","90","","101.785","0.003","90","","2595.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Cu N2 O -","- C27 H38 Cu N2 O -","- C108 H152 Cu4 N8 O4 -","4","1","","He, Weiying; Beattie, D. Dawson; Zhou, Hao; Bowes, Eric G.; Schafer, Laurel L.; Love, Jennifer; Kennepohl, Pierre","Direct metal-carbon bonding in symmetric bis(C-H) agostic Nickel(I) complexes","Chemical Science","2021","","","","","10.1039/D1SC03578A","","","0.71073","MoKα","","0.0508","0.0372","","","0.0948","0.1031","","","","","","1.042","","","","has coordinates,has disorder","270329","2021-11-05","23:12:52",""
"1565135","12.2187","0.0005","13.6971","0.0005","20.7232","0.0008","102.574","0.002","90.075","0.002","90.745","0.002","3384.8","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C H B Cl N O0.02 -","- C3.27273 H2.72727 B0.136364 Cl0.136364 N0.272727 O0.136364 -","- C144 H120 B6 Cl6 N12 O6 -","44","22","","Zhu, Zhaoyang; Zhang, Xue; Guo, Xing; Wu, Qinghua; Li, Zhongxin; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan; Zhao, Jianzhang","Orthogonally aligned cyclic BODIPY arrays with long-lived triplet excited states as efficient heavy-atom-free photosensitizers","Chemical Science","2021","","","","","10.1039/D1SC04893G","","","0.71073","MoKα","","0.1697","0.1224","","","0.3463","0.3693","","","","","","1.715","","","","has coordinates,has disorder","270530","2021-11-08","23:14:33",""
"1565136","15.79","0.03","18.68","0.03","25.84","0.05","90","","93.04","0.16","90","","7611","2","298.15","","298.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H66 B3 Cl3 N6 O6 -","- C75 H66 B3 Cl3 N6 O6 -","- C300 H264 B12 Cl12 N24 O24 -","4","1","","Zhu, Zhaoyang; Zhang, Xue; Guo, Xing; Wu, Qinghua; Li, Zhongxin; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan; Zhao, Jianzhang","Orthogonally aligned cyclic BODIPY arrays with long-lived triplet excited states as efficient heavy-atom-free photosensitizers","Chemical Science","2021","","","","","10.1039/D1SC04893G","","","0.71073","MoKα","","0.1956","0.104","","","0.189","0.2238","","","","","","1.088","","","","has coordinates","270530","2021-11-08","23:14:34",""
"1565137","24.918","0.0013","13.8086","0.0006","14.4975","0.0005","90","","114.175","0.003","90","","4550.9","0.4","300","2","300.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 B2 Cl2 N4 O4 -","- C50 H44 B2 Cl2 N4 O4 -","- C200 H176 B8 Cl8 N16 O16 -","4","0.5","","Zhu, Zhaoyang; Zhang, Xue; Guo, Xing; Wu, Qinghua; Li, Zhongxin; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan; Zhao, Jianzhang","Orthogonally aligned cyclic BODIPY arrays with long-lived triplet excited states as efficient heavy-atom-free photosensitizers","Chemical Science","2021","","","","","10.1039/D1SC04893G","","","0.71073","MoKα","","0.0658","0.0477","","","0.1181","0.1307","","","","","","1.036","","","","has coordinates","270530","2021-11-08","23:14:34",""
"1565138","7.94037","0.00015","10.1189","0.0002","12.8889","0.0003","87.2665","0.0019","76.201","0.002","70.5516","0.0019","947.75","0.04","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Br Mn N3 O4 -","- C16 H23 Br Mn N3 O4 -","- C32 H46 Br2 Mn2 N6 O8 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0328","0.0324","","","0.0892","0.0894","","","","","","1.0285","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565139","7.71788","0.00015","10.1753","0.0002","13.2154","0.0002","103.067","0.0016","101.353","0.0015","108.667","0.0017","916.12","0.03","169.98","0.1","169.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br Mn N2 O3 S -","- C16 H20 Br Mn N2 O3 S -","- C32 H40 Br2 Mn2 N4 O6 S2 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0915","0.0919","","","","","","1.0414","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565140","9.1878","0.0018","28.171","0.006","10.117","0.002","90","","105.67","0.03","90","","2521.3","1","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Mn N2 O3 P -","- C26 H24 Br Mn N2 O3 P -","- C104 H96 Br4 Mn4 N8 O12 P4 -","4","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","","0.71073","MoKα","","0.082","0.0806","","","0.1849","0.1859","","","","","","1.064","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565141","12.1391","0.0008","13.8283","0.0009","17.2219","0.001","90","","110.584","0.002","90","","2706.4","0.3","176","2","176","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 Cl O4 P -","- C29 H30 Cl O4 P -","- C116 H120 Cl4 O16 P4 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Struwe, Julia; Ma, Chanchan; Zhu, Gangguo; Liao, Xinyi; Xu, Min; Ackermann, Lutz","Dibenzocycloheptanones construction through a removable P-centered radical: Synthesis of allocolchicine analogues","Chemical Science","2021","","","","","10.1039/D1SC05404J","","","0.71073","MoKα","","0.0785","0.0562","","","0.2014","0.2179","","","","","","1.093","","","","has coordinates","270545","2021-11-09","23:13:50",""
"1565142","22.885","0.005","8.4172","0.0017","9.374","0.003","90","","90","","90","","1805.7","0.8","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H18 O3 -","- C23 H18 O3 -","- C92 H72 O12 -","4","1","","Zhang, Yan; Cai, Zhenzhi; Struwe, Julia; Ma, Chanchan; Zhu, Gangguo; Liao, Xinyi; Xu, Min; Ackermann, Lutz","Dibenzocycloheptanones construction through a removable P-centered radical: Synthesis of allocolchicine analogues","Chemical Science","2021","","","","","10.1039/D1SC05404J","","","0.71073","MoKα","","0.0379","0.0333","","","0.0898","0.0942","","","","","","1.014","","","","has coordinates","270545","2021-11-09","23:13:51",""
"1565143","17.46","0.03","13.75","0.02","23.42","0.06","90","","90","","90","","5623","19","150","2","150.02","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H28 N2 O5 -","- C36 H28 N2 O5 -","- C288 H224 N16 O40 -","8","2","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","0.71073","MoKα","","0.1261","0.0619","","","0.1254","0.1575","","","","","","1.021","","","","has coordinates","270546","2021-11-09","23:16:57",""
"1565144","11.689","0.0009","5.846","0.0004","19.4233","0.0015","90","","92.761","0.007","90","","1325.73","0.17","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","x-ray","1.54184","CuKα","","0.0722","0.0576","","","0.1507","0.166","","","","","","1.07","","","","has coordinates","270546","2021-11-09","23:16:58",""
"1565145","8.719","0.003","11.529","0.005","12.887","0.005","86.887","0.013","72.756","0.013","74.684","0.012","1192.8","0.8","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O5 -","- C27 H23 N3 O5 -","- C54 H46 N6 O10 -","2","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","0.71073","MoKα","","0.1507","0.0685","","","0.162","0.1937","","","","","","1.019","","","","has coordinates","270546","2021-11-09","23:16:58",""
"1565146","5.9883","0.0001","22.0176","0.0005","16.5031","0.0004","90","","95.31","0.001","90","","2166.56","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F N2 O5 -","- C25 H23 F N2 O5 -","- C100 H92 F4 N8 O20 -","4","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","1.54178","CuKα","","0.0553","0.0492","","","0.1297","0.1362","","","","","","1.053","","","","has coordinates","270546","2021-11-09","23:16:58",""
"1565147","14.0994","0.0005","10.9354","0.0003","16.3508","0.0006","90","","115.198","0.004","90","","2281.11","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O4 -","- C26 H23 N3 O4 -","- C104 H92 N12 O16 -","4","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","x-ray","1.54184","CuKα","","0.0575","0.0445","","","0.1156","0.1275","","","","","","1.029","","","","has coordinates,has disorder","270546","2021-11-09","23:16:58",""
"1565148","25.4779","0.0015","11.8085","0.0006","13.8705","0.0007","90","","90","","90","","4173","0.4","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C200 H192 N16 O40 -","8","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","1.54178","CuKα","","0.0928","0.0766","","","0.201","0.2225","","","","","","1.053","","","","has coordinates","270546","2021-11-09","23:16:58",""
"1565149","9.6642","0.0004","18.5733","0.0007","13.4479","0.0006","90","","110.324","0.004","90","","2263.57","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C104 H92 N12 O20 -","4","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","x-ray","1.54184","CuKα","","0.1041","0.0685","","","0.1907","0.2181","","","","","","1.03","","","","has coordinates,has disorder","270546","2021-11-09","23:16:59",""
"1565150","7.5481","0.0002","11.4787","0.0003","12.3488","0.0004","64.2362","0.0013","78.0893","0.0013","87.4663","0.0015","941.57","0.05","150","2","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","1.54178","CuKα","","0.0606","0.0543","","","0.149","0.1564","","","","","","1.052","","","","has coordinates,has disorder","270546","2021-11-09","23:16:59",""
"1565151","11.5554","0.0004","11.9041","0.0004","20.6216","0.0006","82","0.003","89.792","0.003","61.583","0.004","2464.17","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O5 -","- C26 H22 N2 O5 -","- C104 H88 N8 O20 -","4","2","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","x-ray","1.54184","CuKα","","0.065","0.0505","","","0.1427","0.1574","","","","","","1.035","","","","has coordinates,has disorder","270546","2021-11-09","23:16:59",""
"1565152","11.8952","0.0008","8.6715","0.0006","21.1913","0.0013","90","","94.064","0.002","90","","2180.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","1.54178","CuKα","","0.0817","0.0738","","","0.2043","0.2161","","","","","","1.072","","","","has coordinates","270546","2021-11-09","23:16:59",""
"1565153","9.5216","0.0003","10.7823","0.0004","12.6332","0.0005","106.178","0.004","93.8","0.003","114.614","0.003","1107.48","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 N4 O3 -","- C26 H26 N4 O3 -","- C52 H52 N8 O6 -","2","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","x-ray","1.54184","CuKα","","0.0763","0.057","","","0.1642","0.1847","","","","","","1.047","","","","has coordinates,has disorder","270546","2021-11-09","23:17:00",""
"1565154","15.5191","0.0007","9.0804","0.0005","30.9354","0.0013","90","","90","","90","","4359.4","0.4","150","2","149.99","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C208 H192 N16 O40 -","8","1","","Wang, Lele; Han, Hua-Bin; Gu, Lijie; Zhang, Wenjing; Zhao, Junwei; Wang, Qi-Lin","Skeletal remodeling of chalcone-based pyridinium salts to access isoindoline polycycles and their bridged derivatives","Chemical Science","2021","","","","","10.1039/D1SC05741C","","","0.71073","MoKα","","0.1353","0.0556","","","0.1024","0.1364","","","","","","1.037","","","","has coordinates","270546","2021-11-09","23:17:00",""
"1565175","8.954","0.0002","14.9196","0.0003","16.042","0.0003","90","","90","","90","","2143.05","0.08","150","","150","","","","100","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","Dimer 2d","","- C20 H25 Cl N8 O2 -","- C20 H25 Cl N8 O2 -","- C80 H100 Cl4 N32 O8 -","4","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","","1.5418","CuKα","","0.0381","0.0361","","0.0429","0.0423","0.0429","","","","","","1.871","","","","has coordinates","270581","2021-11-10","23:14:01",""
"1565176","12.0526","0.0001","12.0526","0.0001","37.0309","0.0005","90","","90","","90","","5379.3","0.1","100","","100","","","","100","","","","synthesis","5","P 41 21 2","P 4abw 2nw","92","","N-tBu Dimer 1a","","- C25 H34 Cl N8 O2 -","- C25 H34 Cl N8 O2 -","- C200 H272 Cl8 N64 O16 -","8","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","","1.5418","CuKα","","0.0442","0.0426","","0.0581","0.0576","0.0581","","","","","","1.1707","","","","has coordinates","270581","2021-11-10","23:14:02",""
"1565177","9.6933","0.0001","9.0179","0.0001","13.4198","0.0001","90","","90.0868","0.0008","90","","1173.07","0.02","100","","100","","","","100","","","","synthesis","5","P 1 21 1","P 2yb","4","","Dimer 2a","","- C21 H27 Cl N8 O2 -","- C21 H27 Cl N8 O2 -","- C42 H54 Cl2 N16 O4 -","2","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","","1.5418","CuKα","","0.0342","0.0341","","0.0637","0.0635","0.0637","","","","","","1.9544","","","","has coordinates","270581","2021-11-10","23:14:03",""
"1565178","12.00486","0.00004","18.58877","0.00003","23.79439","0.00004","90","","96.15","0.005","90","","5279.29","0.05","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C42.64 H56.23 Cl3.11 N16 O5.46 -","- C42.6394 H56.2252 Cl3.1072 N16 O5.46045 -","- C170.558 H224.901 Cl12.4288 N64 O21.8418 -","4","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","x-ray","1.54178","CuKα","","0.2533","0.1864","","0.5199","0.4695","0.4983","","","","","","1.7645","","","","has coordinates,has disorder","270581","2021-11-10","23:14:03",""
"1565179","7.7096","0.0005","8.5742","0.0006","9.4537","0.0006","85.493","0.002","86.271","0.002","80.637","0.002","613.82","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","DMcTMe2","1,2-bis(5-(methylthio)-1,3,4-thiadiazol-2-yl)disulfane","","- C6 H6 N4 S6 -","- C6 H6 N4 S6 -","- C12 H12 N8 S12 -","2","1","","Tuttle, Madison R.; Walter, Christopher; Brackman, Emma; Moore, Curtis; Espe, Matthew; Rasik, Chris; Adams, Paul; Zhang, Shiyu","Redox-Active Zinc Thiolates for Low-Cost Rechargeable Aqueous Zn-ion Batteries","Chemical Science","2021","","","","","10.1039/D1SC04231A","","x-ray","0.71073","MoKα","K-L~3~","0.0223","0.0196","","","0.0465","0.0483","","","","","","1.086","","","","has coordinates","270582","2021-11-10","23:14:43",""
"1565180","8.543","0.0007","9.4062","0.0007","20.558","0.0018","90","","90","","90","","1652","0.2","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N -","- C21 H18 Br N -","- C84 H72 Br4 N4 -","4","1","","Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín","Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization","Chemical Science","2021","","","","","10.1039/D1SC04980A","","","0.71073","MoKα","","0.0553","0.0383","","","0.0756","0.0805","","","","","","1.013","","","","has coordinates","270583","2021-11-10","23:15:34",""
"1565181","8.515","0.0002","9.3931","0.0003","20.065","0.0007","90","","90","","90","","1604.84","0.08","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl N -","- C21 H18 Cl N -","- C84 H72 Cl4 N4 -","4","1","","Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín","Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization","Chemical Science","2021","","","","","10.1039/D1SC04980A","","","0.71073","MoKα","","0.0587","0.043","","","0.0938","0.1043","","","","","","1.063","","","","has coordinates","270583","2021-11-10","23:15:35",""
"1565182","10.4051","0.001","21.314","0.002","11.3738","0.0012","90","","103.171","0.004","90","","2456.1","0.4","193","","193","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H62 B2 Cl2 N2 O4 -","- C55 H62 B2 Cl2 N2 O4 -","- C110 H124 B4 Cl4 N4 O8 -","2","1","","Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín","Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization","Chemical Science","2021","","","","","10.1039/D1SC04980A","","","0.71073","MoKα","","0.0568","0.0531","","","0.1278","0.1319","","","","","","1.062","","","","has coordinates,has disorder","270583","2021-11-10","23:15:35",""
"1565183","9.6004","0.0006","12.4461","0.0007","12.637","0.0007","74.158","0.003","81.407","0.004","71.642","0.003","1375.35","0.14","193.01","","193.01","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H38 B2 F20 O4 -","- C62 H38 B2 F20 O4 -","- C62 H38 B2 F20 O4 -","1","0.5","","Feng, Zhongtao; Chong, Yuanyuan; Tang, Shuxuan; Fang, Yong; Zhao, Yue; Jiang, Jun; Wang, Xinping","A stable triplet diradical emitter","Chemical Science","2021","","","","","10.1039/D1SC04486A","","","1.34139","GaKα","","0.0768","0.0474","","","0.1226","0.1391","","","","","","1.053","","","","has coordinates","270584","2021-11-10","23:16:11",""
"1565184","9.4968","0.0004","12.6034","0.0007","12.6524","0.0006","65.579","0.002","79.789","0.002","78.572","0.002","1343.83","0.12","196","","196","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H4 B2 Br2 F20 O4 -","- C40 H4 B2 Br2 F20 O4 -","- C40 H4 B2 Br2 F20 O4 -","1","0.5","","Feng, Zhongtao; Chong, Yuanyuan; Tang, Shuxuan; Fang, Yong; Zhao, Yue; Jiang, Jun; Wang, Xinping","A stable triplet diradical emitter","Chemical Science","2021","","","","","10.1039/D1SC04486A","","","0.71073","MoKα","","0.0595","0.0395","","","0.0957","0.1035","","","","","","1.04","","","","has coordinates","270584","2021-11-10","23:16:11",""
"1565185","7.5364","0.0003","8.1598","0.0003","14.6308","0.0006","74.8246","0.0015","86.9207","0.0015","83.589","0.0014","862.64","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H10 F6 I N O3 -","- C17 H10 F6 I N O3 -","- C34 H20 F12 I2 N2 O6 -","2","1","","Chai, Jinkui; Ding, Wei; Wang, Chen; Ito, Shingo; Wu, Junliang; Yoshikai, Naohiko","Ritter-type iodo(III)amidation of unactivated alkynes for the stereoselective synthesis of multisubstituted enamides","Chemical Science","2021","","","","","10.1039/D1SC05240C","","","0.71073","MoKα","","0.0633","0.0439","","","0.0714","0.0791","","","","","","1.05","","","","has coordinates","270601","2021-11-11","23:14:43",""
"1565186","9.967","0.0009","16.2018","0.0014","13.8919","0.0013","90","","90.218","0.005","90","","2243.3","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H26 F6 I N O2 -","- C21 H26 F6 I N O2 -","- C84 H104 F24 I4 N4 O8 -","4","2","","Chai, Jinkui; Ding, Wei; Wang, Chen; Ito, Shingo; Wu, Junliang; Yoshikai, Naohiko","Ritter-type iodo(III)amidation of unactivated alkynes for the stereoselective synthesis of multisubstituted enamides","Chemical Science","2021","","","","","10.1039/D1SC05240C","","x-ray","0.71073","MoKα","","0.1273","0.0543","","","0.0728","0.0888","","","","","","0.965","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565187","10.9318","0.0005","28.7192","0.0012","13.4936","0.0005","90","","92.8262","0.0019","90","","4231.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F6 I N O2 -","- C19 H22 F6 I N O2 -","- C152 H176 F48 I8 N8 O16 -","8","2","","Chai, Jinkui; Ding, Wei; Wang, Chen; Ito, Shingo; Wu, Junliang; Yoshikai, Naohiko","Ritter-type iodo(III)amidation of unactivated alkynes for the stereoselective synthesis of multisubstituted enamides","Chemical Science","2021","","","","","10.1039/D1SC05240C","","x-ray","0.71073","MoKα","","0.1108","0.0669","","","0.1307","0.1466","","","","","","1.077","","","","has coordinates,has disorder","270601","2021-11-11","23:14:43",""
"1565188","15.2815","0.001","16.2362","0.0012","15.2815","0.001","90","","90","","90","","3791.5","0.4","295","","295","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C61 H72 F12 Fe2 N20 O12.5 P2 -","- C61 H72 F12 Fe2 N20 O12.5 P2 -","- C122 H144 F24 Fe4 N40 O25 P4 -","2","0.25","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.0844","0.0702","","","0.1759","0.195","","","","","","1.069","","","","has coordinates","270602","2021-11-11","23:16:36",""
"1565189","9.7153","0.0005","18.5782","0.0007","19.4324","0.0008","90","","93.53","0.004","90","","3500.8","0.3","150","","150","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C58 H60 Cl8 F12 Fe N12 P2 -","- C58 H60 Cl8 F12 Fe N12 P2 -","- C116 H120 Cl16 F24 Fe2 N24 P4 -","2","0.5","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.0643","0.0512","","","0.1208","0.1282","","","","","","1.073","","","","has coordinates,has disorder","270602","2021-11-11","23:16:37",""
"1565190","10.2362","0.0018","17.768","0.003","18.125","0.002","117.066","0.014","91.394","0.012","93.931","0.013","2922.9","0.9","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 F12 Fe N12 O4 P2 -","- C54 H52 F12 Fe N12 O4 P2 -","- C108 H104 F24 Fe2 N24 O8 P4 -","2","1","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.2894","0.101","","","0.1958","0.2891","","","","","","0.949","","","","has coordinates","270602","2021-11-11","23:16:37",""
"1565191","10.902","0.0009","11.0376","0.0008","39.83","0.003","90","","94.19","0.008","90","","4780","0.6","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 F12 Fe N11 O4 P2 -","- C41 H39 F12 Fe N11 O4 P2 -","- C164 H156 F48 Fe4 N44 O16 P8 -","4","1","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.2068","0.1165","","","0.2807","0.3436","","","","","","0.997","","","","has coordinates","270602","2021-11-11","23:16:37",""
"1565192","22.3522","0.0004","14.581","0.0003","18.1566","0.0004","90","","90","","90","","5917.6","0.2","110","2","110","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C54 H52 Fe K N16 O16 -","- C54 H52 Fe K N16 O16 -","- C216 H208 Fe4 K4 N64 O64 -","4","0.5","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.1097","0.0678","","","0.1555","0.1816","","","","","","1.071","","","","has coordinates","270602","2021-11-11","23:16:37",""
"1565193","23.6142","0.0013","23.6142","0.0013","18.337","0.002","90","","90","","90","","10225.3","1.4","295","","295","","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C41 H39 Cl1.25 F12 Fe N11 O2 P2 -","- C41 H39 Cl1.25 F12 Fe N11 O2 P2 -","- C328 H312 Cl10 F96 Fe8 N88 O16 P16 -","8","1","","Lindh, Linnea; Gordivska, Olga; Persson, Samuel; Michaels, Hannes; Fan, Hao; Chabera, Pavel; Rosemann, Nils W.; Gupta, Arvind Kumar; Benesperi, Iacopo; Uhlig, Jens; Prakash, Om; Sheibani, Esmaeil; Kjær, Kasper Skov; Boschloo, Gerrit; Yartsev, Arkady; Freitag, Marina; Lomoth, Reiner; Persson, Petter; Wärnmark, Kenneth","Dye-Sensitized Solar Cells based on Fe N-heterocyclic Carbene Photosensitizers with Improved Rod-like Push-Pull Functionality","Chemical Science","2021","","","","","10.1039/D1SC02963K","","","0.71073","MoKα","","0.2442","0.1417","","","0.2967","0.3565","","","","","","1.039","","","","has coordinates","270602","2021-11-11","23:16:37",""
"1565231","13.3313","0.0005","5.0391","0.0002","19.8573","0.0007","90","","103.665","0.002","90","","1296.21","0.08","298.6","","298.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-diethyl-alloxazine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Trenker, Stefan; Grunenberg, Lars; Banerjee, Tanmay; Savasci, Gökcen; Poller, Laura M.; Muggli, Katharina I. M.; Haase, Frederik; Ochsenfeld, Christian; Lotsch, Bettina V.","A flavin-inspired covalent organic framework for photocatalytic alcohol oxidation","Chemical Science","2021","","","","","10.1039/D1SC04143F","","","0.71073","MoKα","","0.0976","0.0615","","","0.151","0.1684","","","","","","1.07","","","","has coordinates","270665","2021-11-15","23:21:08",""
"1565232","8.4529","0.0006","10.7933","0.0006","13.352","0.0008","67.316","0.002","71.863","0.003","87.153","0.003","1064.65","0.12","298.7","","298.7","","","","","","","","","4","P -1","-P 1","2","","1,3-diethyl-6,9-diphenylalloxazine","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","1","","Trenker, Stefan; Grunenberg, Lars; Banerjee, Tanmay; Savasci, Gökcen; Poller, Laura M.; Muggli, Katharina I. M.; Haase, Frederik; Ochsenfeld, Christian; Lotsch, Bettina V.","A flavin-inspired covalent organic framework for photocatalytic alcohol oxidation","Chemical Science","2021","","","","","10.1039/D1SC04143F","","","0.71073","MoKα","","0.1381","0.0702","","","0.1419","0.1691","","","","","","1.069","","","","has coordinates","270665","2021-11-15","23:21:09",""
"1565233","10.9474","0.0018","14.32","0.002","19.292","0.003","104.883","0.002","91.015","0.002","99.535","0.002","2876.7","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2014/7","","- C60 H74 B4 O8 P2 -","- C60 H74 B4 O8 P2 -","- C120 H148 B8 O16 P4 -","2","1","","Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong","Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction","Chemical Science","2021","","","","","10.1039/D1SC05135K","","","0.71073","MoKα","","0.0821","0.0527","","","0.1298","0.1481","","","","","","1.035","","","","has coordinates,has disorder","270666","2021-11-15","23:22:31",""
"1565234","10.542","0.008","10.722","0.008","17.445","0.014","96.766","0.007","96.231","0.014","104.461","0.009","1876","3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H59 B2 O4 P -","- C42 H59 B2 O4 P -","- C84 H118 B4 O8 P2 -","2","1","","Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong","Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction","Chemical Science","2021","","","","","10.1039/D1SC05135K","","","0.71073","MoKα","","0.057","0.043","","","0.1023","0.1103","","","","","","1.019","","","","has coordinates,has disorder","270666","2021-11-15","23:22:32",""
"1565235","15.557","0.018","14.394","0.016","17.425","0.019","90","","97.347","0.008","90","","3870","8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 B2 N2 P -","- C44 H59 B2 N2 P -","- C176 H236 B8 N8 P4 -","4","1","","Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong","Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction","Chemical Science","2021","","","","","10.1039/D1SC05135K","","","0.71073","MoKα","","0.0581","0.041","","","0.0925","0.1018","","","","","","1.014","","","","has coordinates","270666","2021-11-15","23:22:32",""
"1565236","28.597","0.006","14.635","0.003","23.112","0.004","90","","106.257","0.004","90","","9286","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 B2 Cl0.25 Li2.25 O P -","- C22 H29 B2 Cl0.25 Li2.25 O P -","- C352 H464 B32 Cl4 Li36 O16 P16 -","16","2","","Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong","Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction","Chemical Science","2021","","","","","10.1039/D1SC05135K","","","0.71073","MoKα","","0.1037","0.0761","","","0.2264","0.2533","","","","","","1.036","","","","has coordinates,has disorder","270666","2021-11-15","23:22:32",""
"1565237","10.02","0.008","15.571","0.012","21.243","0.017","90","","102.039","0.014","90","","3241","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H49 B2 O2 P -","- C38 H49 B2 O2 P -","- C152 H196 B8 O8 P4 -","4","1","","Oishi, Takumi; Lugo-Fuentes, Leonardo I.; Jing, Yichuan; Jimenez-Halla, Jose Oscar Carlos; Barroso-Flores, Joaquín; Nakamoto, Masaaki; Yamamoto, Yohsuke; Tsunoji, Nao; Shang, Rong","Proton to Hydride Umpolung at a Phosphonium Center Via Electron Relay: A New Strategy for Main-Group Based Water Reduction","Chemical Science","2021","","","","","10.1039/D1SC05135K","","","0.71073","MoKα","","0.0567","0.0456","","","0.115","0.1221","","","","","","1.039","","","","has coordinates,has disorder","270666","2021-11-15","23:22:33",""
"1565263","12.54","0.003","7.6545","0.0016","5.8345","0.0012","90","","90","","90","","560","0.2","300","2","300","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li Mn P S4 -","- Li Mn P S4 -","- Li4 Mn4 P4 S16 -","4","0.5","","Balijapelly, Srikanth; Ghosh, Kartik; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Discovery of an olivine-type lithium manganese thiophosphate, LiMnPS <sub>4</sub> , <i>via</i> a building block approach","Chemical Communications","2021","57","97","13182","13185","10.1039/D1CC05168G","","","0.71073","MoKα","","0.0395","0.033","","","0.0806","0.0852","","","","","","1.112","","","","has coordinates","282777","2023-04-20","11:56:53",""
"1565264","7.6825","0.0008","13.3272","0.0013","18.012","0.002","90","","90","","90","","1844.2","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","Organic","","","- C19 H16 N6 O4 -","- C19 H16 N6 O4 -","- C76 H64 N24 O16 -","4","1","","Rajamanickam, Suresh; Saraswat, Mayank; Venkataramani, Sugumar; Patel, Bhisma K.","Intermolecular CDC amination of remote and proximal unactivated Csp3–H bonds through intrinsic substrate reactivity – expanding towards a traceless directing group","Chemical Science","2021","","","","","10.1039/D1SC04365J","","","0.71073","MoKα","","0.0965","0.0455","","","0.0916","0.1088","","","","","","1.024","","","","has coordinates","270701","2021-11-16","23:19:31",""
"1565265","7.8987","0.0006","10.2849","0.0012","10.7179","0.0014","116.598","0.013","101.905","0.009","90.188","0.008","757.24","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Organic","","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C26 H30 N10 O8 -","2","1","","Rajamanickam, Suresh; Saraswat, Mayank; Venkataramani, Sugumar; Patel, Bhisma K.","Intermolecular CDC amination of remote and proximal unactivated Csp3–H bonds through intrinsic substrate reactivity – expanding towards a traceless directing group","Chemical Science","2021","","","","","10.1039/D1SC04365J","","","0.71073","MoKα","","0.1256","0.0743","","","0.2033","0.2588","","","","","","1.024","","","","has coordinates","270701","2021-11-16","23:19:34",""
"1565266","14.0486","0.0002","16.9932","0.0003","17.396","0.0003","65.7186","0.0003","83.5209","0.0003","85.4896","0.0003","3759.01","0.11","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C12.67 H25.33 B Cl1.33 F4 Fe2 N O4 P2 S2 -","- C12.6667 H25.3333 B Cl1.33333 F4 Fe2 N O4 P2 S2 -","- C76 H152 B6 Cl8 F24 Fe12 N6 O24 P12 S12 -","6","3","","Zhang, Fanjun; Woods, Toby John; Zhu, Lingyang; Rauchfuss, Thomas","Inhibition of [FeFe]-Hydrogenase by Formaldehyde: Proposed Mechanism and Reactivity of FeFe Alkyl Complexes","Chemical Science","2021","","","","","10.1039/D1SC05803G","","","0.71073","MoKα","","0.0241","0.0213","","","0.0512","0.0527","","","","","","1.05","","","","has coordinates,has disorder","270702","2021-11-16","23:21:00",""
"1565267","13.5415","0.0003","17.0231","0.0004","18.4766","0.0004","90","","101.501","0.0008","90","","4173.68","0.16","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C34.79 H48.44 B Cl0.14 F4 Fe2 N O4.93 P3 S2 -","- C34.79 H48.44 B Cl0.14 F4 Fe2 N O4.93 P3 S2 -","- C139.16 H193.76 B4 Cl0.56 F16 Fe8 N4 O19.72 P12 S8 -","4","1","","Zhang, Fanjun; Woods, Toby John; Zhu, Lingyang; Rauchfuss, Thomas","Inhibition of [FeFe]-Hydrogenase by Formaldehyde: Proposed Mechanism and Reactivity of FeFe Alkyl Complexes","Chemical Science","2021","","","","","10.1039/D1SC05803G","","","0.71073","MoKα","","0.0386","0.0317","","","0.0718","0.075","","","","","","1.103","","","","has coordinates,has disorder","270702","2021-11-16","23:21:03",""
"1565268","13.5275","0.0003","14.3475","0.0004","16.5656","0.0004","104.257","0.0004","105.633","0.0004","111.382","0.0004","2661.82","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H36 B F24 Fe2 N O4 P2 S2 -","- C45 H36 B F24 Fe2 N O4 P2 S2 -","- C90 H72 B2 F48 Fe4 N2 O8 P4 S4 -","2","1","","Zhang, Fanjun; Woods, Toby John; Zhu, Lingyang; Rauchfuss, Thomas","Inhibition of [FeFe]-Hydrogenase by Formaldehyde: Proposed Mechanism and Reactivity of FeFe Alkyl Complexes","Chemical Science","2021","","","","","10.1039/D1SC05803G","","","0.71073","MoKα","","0.0369","0.0348","","","0.084","0.0856","","","","","","1.023","","","","has coordinates,has disorder","270702","2021-11-16","23:21:03",""
"1565269","16.8201","0.0007","17.3607","0.0007","13.5621","0.0006","90","","110.09","0.0014","90","","3719.3","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Fe2 N4 O4 P S2 -","- C35 H41 Fe2 N4 O4 P S2 -","- C140 H164 Fe8 N16 O16 P4 S8 -","4","1","","Zhang, Fanjun; Woods, Toby John; Zhu, Lingyang; Rauchfuss, Thomas","Inhibition of [FeFe]-Hydrogenase by Formaldehyde: Proposed Mechanism and Reactivity of FeFe Alkyl Complexes","Chemical Science","2021","","","","","10.1039/D1SC05803G","","","0.71073","MoKα","","0.069","0.06","","","0.13","0.1341","","","","","","1.186","","","","has coordinates,has disorder","270702","2021-11-16","23:21:04",""
"1565270","8.7126","0.001","10.0034","0.0012","11.8736","0.0014","69.381","0.002","80.082","0.002","76.862","0.002","938.37","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 B F2 N5 O -","- C18 H24 B F2 N5 O -","- C36 H48 B2 F4 N10 O2 -","2","1","","Strasser, Paul; Russo, Marina; Stadler, Pauline; Breiteneder, Patrick; Redhammer, Günther; Himmelsbach, Markus; Brüggemann, Oliver; Monkowius, Uwe; Klán, Petr; Teasdale, Ian","Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry","Polymer Chemistry","2021","12","47","6927","6936","10.1039/D1PY01245B","","x-ray","0.71073","MoKα","","0.0951","0.0583","","","0.159","0.1899","","","","","","1.02","","","","has coordinates","271876","2022-01-06","22:04:17",""
"1565271","17.1373","0.0013","11.7136","0.0009","20.6062","0.0015","90","","99.046","0.001","90","","4085","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H27 B F2 N2 O2 -","- C20 H27 B F2 N2 O2 -","- C160 H216 B8 F16 N16 O16 -","8","1","","Strasser, Paul; Russo, Marina; Stadler, Pauline; Breiteneder, Patrick; Redhammer, Günther; Himmelsbach, Markus; Brüggemann, Oliver; Monkowius, Uwe; Klán, Petr; Teasdale, Ian","Green-light photocleavable meso-methyl BODIPY building blocks for macromolecular chemistry","Polymer Chemistry","2021","12","47","6927","6936","10.1039/D1PY01245B","","x-ray","0.71073","MoKα","","0.0886","0.0666","","","0.1935","0.2163","","","","","","1.067","","","","has coordinates","271876","2022-01-06","22:04:18",""
"1565272","26.9381","0.0004","7.91274","0.0001","18.0152","0.0002","90","","126.425","0.0012","90","","3089.79","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H24 Cl2 N2 S3 -","- C37 H22 Cl2 N2 S3 -","- C148 H88 Cl8 N8 S12 -","4","0.5","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","","1.54178","CuKα","","0.0514","0.0488","","","0.1344","0.1374","","","","","","1.047","","","","has coordinates,has disorder","270712","2021-11-17","02:56:45",""
"1565273","14.36","0.0002","14.8334","0.0002","14.0298","0.0001","90","","103.791","0.001","90","","2902.3","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H46 Cl2 N4 O2 S4 -","- C73 H44 Cl2 N4 O2 S4 -","- C146 H88 Cl4 N8 O4 S8 -","2","0.5","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","x-ray","1.54184","CuKα","","0.0576","0.0538","","","0.1495","0.154","","","","","","1.04","","","","has coordinates","270712","2021-11-17","02:57:27",""
"1565274","28.6595","0.0005","8.9864","0.0002","13.6296","0.0002","90","","90","","90","","3510.25","0.11","293","2","293","2","","","","","","","","4","P m c 21","P 2c -2","26","","","","- C36 H22 N2 S3 -","- C36 H22 N2 S3 -","- C144 H88 N8 S12 -","4","1","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","x-ray","1.54184","CuKα","","0.0628","0.057","","","0.1593","0.1656","","","","","","1.035","","","","has coordinates","270712","2021-11-17","02:58:18",""
"1565275","28.6573","0.0006","6.7631","0.0001","36.8149","0.0007","90","","107.502","0.002","90","","6804.9","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H30 N2 O S2 -","- C43 H30 N2 O S2 -","- C344 H240 N16 O8 S16 -","8","1","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","x-ray","1.54184","CuKα","","0.0547","0.0489","","","0.1338","0.1397","","","","","","1.029","","","","has coordinates,has disorder","270712","2021-11-17","02:58:22",""
"1565276","29.9077","0.0002","9.2309","0.0001","12.7695","0.0001","90","","90","","90","","3525.34","0.05","293","2","293","2","","","","","","","","5","P m c 21","P 2c -2","26","","","","- C36 H22 N2 O S2 -","- C36 H22 N2 O S2 -","- C144 H88 N8 O4 S8 -","4","1","","Tian, Yu; Yang, Jie; Gao, Mingxue; Liu, Zhenjiang; Zhao, M.; Fang, Manman; Li, Zhen","Organic Microporous Crystals Driven by Pure C-H‧‧‧π Interactions with Vapors-Induced Crystal-to-Crystal Transformations","Materials Horizons","2021","","","","","10.1039/D1MH01360B","","x-ray","1.54184","CuKα","","0.0347","0.0312","","","0.0883","0.0915","","","","","","1.039","","","","has coordinates","270712","2021-11-17","02:58:32",""
"1565313","41.523","0.002","10.7009","0.0005","21.0891","0.001","90","","100.475","0.002","90","","9214.4","0.8","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38.5 H60 F6 Fe N7 O4.5 P -","- C38.5 H60 F6 Fe N7 O4.5 P -","- C308 H480 F48 Fe8 N56 O36 P8 -","8","1","","Rebilly, Jean-Noël; Herrero, Christian; Sénéchal-David, Katell; Guillot, Régis; Inceoglu, Tanya; Maisonneuve, Hélène; Banse, Frédéric","Second sphere effects on H2O2 activation by non-heme FeII complexes: Role of a phenol group in the [H2O2]-dependent accumulation of FeIVO vs FeIIIOOH","Chemical Science","2021","","","","","10.1039/D1SC03303D","","x-ray","0.71073","MoKα","","0.1353","0.0853","","","0.2353","0.2758","","","","","","1.053","","","","has coordinates,has disorder","270737","2021-11-17","23:13:37",""
"1565314","15.0611","0.0014","27.64","0.002","9.9365","0.0007","90","","106.973","0.005","90","","3956.3","0.6","100","1","100","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Cl3 F6 Fe N7 O P -","- C34 H47 Cl3 F6 Fe N7 O P -","- C136 H188 Cl12 F24 Fe4 N28 O4 P4 -","4","1","","Rebilly, Jean-Noël; Herrero, Christian; Sénéchal-David, Katell; Guillot, Régis; Inceoglu, Tanya; Maisonneuve, Hélène; Banse, Frédéric","Second sphere effects on H2O2 activation by non-heme FeII complexes: Role of a phenol group in the [H2O2]-dependent accumulation of FeIVO vs FeIIIOOH","Chemical Science","2021","","","","","10.1039/D1SC03303D","","x-ray","0.71073","MoKα","","0.241","0.0854","","","0.1753","0.2419","","","","","","0.975","","","","has coordinates,has disorder","270737","2021-11-17","23:13:38",""
"1565315","9.4206","0.0004","13.3798","0.0005","19.6176","0.0008","90","","100.915","0.002","90","","2427.98","0.17","151","2","151","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 F9 N O -","- C27 H20 F9 N O -","- C108 H80 F36 N4 O4 -","4","1","","Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke","Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling","Chemical Science","2021","","","","","10.1039/D1SC05273J","","","1.54178","CuKα","","0.0452","0.04","","","0.0958","0.1011","","","","","","1.032","","","","has coordinates","270738","2021-11-17","23:14:32",""
"1565316","12.6563","0.0009","14.4425","0.0011","16.7878","0.0012","114.164","0.002","91.725","0.002","103.585","0.002","2693.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl F9 N O2 -","- C30 H23 Cl F9 N O2 -","- C120 H92 Cl4 F36 N4 O8 -","4","2","","Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke","Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling","Chemical Science","2021","","","","","10.1039/D1SC05273J","","","0.71073","MoKα","","0.0598","0.044","","","0.0972","0.1093","","","","","","1.043","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565317","10.1083","0.0013","12.4572","0.0016","19.624","0.002","88.653","0.004","83.266","0.004","75.151","0.004","2372","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H38 F18 O4 -","- C54 H38 F18 O4 -","- C108 H76 F36 O8 -","2","1","","Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke","Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling","Chemical Science","2021","","","","","10.1039/D1SC05273J","","","0.71073","MoKα","","0.0706","0.0531","","","0.1286","0.1433","","","","","","1.037","","","","has coordinates,has disorder","270738","2021-11-17","23:14:33",""
"1565318","32.003","0.004","4.9042","0.0006","20.488","0.002","90","","99.159","0.004","90","","3174.6","0.6","98","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C160 H128 N16 O16 -","8","1","","Di, Qi; Li, Jiaqi; Zhang, Zhanrui; Yu, Xu; Tang, Baolei; Zhang, Houyu; Zhang, Hongyu","Quantifiable stretching-induced fluorescence shifts of an elastically bendable and plastically twistable organic crystal","Chemical Science","2021","","","","","10.1039/D1SC03818D","","","0.71073","MoKα","","0.0563","0.044","","","0.1113","0.1233","","","","","","1.037","","","","has coordinates","270748","2021-11-18","23:12:28",""
"1565319","16.3007","0.0012","18.4842","0.0013","12.5889","0.0009","90","","109.832","0.003","90","","3568.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H22 F12 N2 -","- C42 H22 F12 N2 -","- C168 H88 F48 N8 -","4","1","","Wei, Xiao; Li, Bao; Yang, Zhiqiang; Zhong, RongLin; Wang, Yufei; Chen, yanan; Ding, Zeyang; Men, Guangwen; Yang, Zairan; Zhang, Houyu; Yang, Bing; Xu, Weiqing; Jiang, Shimei","Programmable photoresponsive materials based on a single molecule via distinct topochemical reactions","Chemical Science","2021","","","","","10.1039/D1SC04053G","","","0.71073","MoKα","","0.078","0.0438","","","0.1016","0.1265","","","","","","1.014","","","","has coordinates,has disorder","270749","2021-11-18","23:13:12",""
"1565320","6.6239","0.0003","11.3191","0.0006","12.9368","0.0007","67.4855","0.0017","84.6786","0.0017","89.83","0.002","891.61","0.08","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H22 F12 N2 -","- C42 H22 F12 N2 -","- C42 H22 F12 N2 -","1","0.5","","Wei, Xiao; Li, Bao; Yang, Zhiqiang; Zhong, RongLin; Wang, Yufei; Chen, yanan; Ding, Zeyang; Men, Guangwen; Yang, Zairan; Zhang, Houyu; Yang, Bing; Xu, Weiqing; Jiang, Shimei","Programmable photoresponsive materials based on a single molecule via distinct topochemical reactions","Chemical Science","2021","","","","","10.1039/D1SC04053G","","","0.71073","MoKα","","0.0789","0.0539","","","0.1292","0.1448","","","","","","1.014","","","","has coordinates,has disorder","270749","2021-11-18","23:13:15",""
"1565321","8.4375","0.0003","15.1706","0.0007","13.3563","0.0006","90","","96.315","0.002","90","","1699.26","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H11 F6 N -","- C21 H11 F6 N -","- C84 H44 F24 N4 -","4","1","","Wei, Xiao; Li, Bao; Yang, Zhiqiang; Zhong, RongLin; Wang, Yufei; Chen, yanan; Ding, Zeyang; Men, Guangwen; Yang, Zairan; Zhang, Houyu; Yang, Bing; Xu, Weiqing; Jiang, Shimei","Programmable photoresponsive materials based on a single molecule via distinct topochemical reactions","Chemical Science","2021","","","","","10.1039/D1SC04053G","","","0.71073","MoKα","","0.1059","0.0685","","","0.1792","0.2209","","","","","","1.019","","","","has coordinates,has disorder","270749","2021-11-18","23:13:18",""
"1565322","7.8885","0.0008","9.5215","0.001","12.4914","0.0013","94.944","0.004","94.83","0.004","110.235","0.004","870.5","0.16","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H11 F6 N -","- C21 H11 F6 N -","- C42 H22 F12 N2 -","2","1","","Wei, Xiao; Li, Bao; Yang, Zhiqiang; Zhong, RongLin; Wang, Yufei; Chen, yanan; Ding, Zeyang; Men, Guangwen; Yang, Zairan; Zhang, Houyu; Yang, Bing; Xu, Weiqing; Jiang, Shimei","Programmable photoresponsive materials based on a single molecule via distinct topochemical reactions","Chemical Science","2021","","","","","10.1039/D1SC04053G","","","0.71073","MoKα","","0.0906","0.0536","","","0.1274","0.1554","","","","","","1.024","","","","has coordinates,has disorder","270749","2021-11-18","23:13:21",""
"1565323","10.8047","0.0005","16.2516","0.0008","26.0237","0.001","90","","90","","90","","4569.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-CzACN","","- C59 H42 N4 O4 -","- C59 H42 N4 O4 -","- C236 H168 N16 O16 -","4","1","","Xu, Bingjia; Song, Zicun; Zhang, Minmin; Zhang, Qingqing; Jiang, Long; Xu, Chao; Zhong, Lijun; Su, Changlin; Ban, Qiqi; Liu, Cong; Sun, Fengqiang; Zhang, Yi; Chi, Zhenguo; Zhao, Zujin; Shi, Guang","Controlling the Thermally Activated Delayed Fluorescence of Axially Chiral Organic Emitters and Their Racemate for Information Encryption","Chemical Science","2021","","","","","10.1039/D1SC04738H","","x-ray","1.54184","CuKα","","0.1237","0.0688","","","0.1453","0.1894","","","","","","0.935","","","","has coordinates","270750","2021-11-18","23:14:08",""
"1565324","25.1331","0.0013","8.9596","0.0005","19.2248","0.0011","90","","93.183","0.003","90","","4322.4","0.4","149","2","149","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-CzACN-SCrr","","- C56 H36 Cl2 N4 O2 -","- C56 H36 Cl2 N4 O2 -","- C224 H144 Cl8 N16 O8 -","4","1","","Xu, Bingjia; Song, Zicun; Zhang, Minmin; Zhang, Qingqing; Jiang, Long; Xu, Chao; Zhong, Lijun; Su, Changlin; Ban, Qiqi; Liu, Cong; Sun, Fengqiang; Zhang, Yi; Chi, Zhenguo; Zhao, Zujin; Shi, Guang","Controlling the Thermally Activated Delayed Fluorescence of Axially Chiral Organic Emitters and Their Racemate for Information Encryption","Chemical Science","2021","","","","","10.1039/D1SC04738H","","","1.34138","GaKα","","0.146","0.1095","","","0.2747","0.2956","","","","","","1.051","","","","has coordinates","270750","2021-11-18","23:14:11",""
"1565325","10.9114","0.0003","16.32","0.0005","26.1644","0.0009","90","","90","","90","","4659.2","0.2","293.3","0.4","293.3","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-CzACN-SCer","","- C59 H42 N4 O4 -","- C59 H42 N4 O4 -","- C236 H168 N16 O16 -","4","1","","Xu, Bingjia; Song, Zicun; Zhang, Minmin; Zhang, Qingqing; Jiang, Long; Xu, Chao; Zhong, Lijun; Su, Changlin; Ban, Qiqi; Liu, Cong; Sun, Fengqiang; Zhang, Yi; Chi, Zhenguo; Zhao, Zujin; Shi, Guang","Controlling the Thermally Activated Delayed Fluorescence of Axially Chiral Organic Emitters and Their Racemate for Information Encryption","Chemical Science","2021","","","","","10.1039/D1SC04738H","","x-ray","1.54184","CuKα","","0.0793","0.0624","","","0.1539","0.1758","","","","","","1.055","","","","has coordinates","270750","2021-11-18","23:14:14",""
"1565337","5.982","","20.1705","0.0001","9.655","","90","","104.462","0.001","90","","1128.06","0.008","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C25 H25 Br2 N O2 -","- C25 H25 Br2 N O2 -","- C50 H50 Br4 N2 O4 -","2","0.5","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54178","CuKα","","0.0206","0.0205","","","0.0514","0.0514","","","","","","1.074","","","","has coordinates,has disorder","270790","2021-11-20","23:12:22",""
"1565338","10.6895","0.0001","11.1422","0.0001","10.9219","0.0001","90","","112.47","0.001","90","","1202.09","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H25 Br2 N O2 -","- C25 H25 Br2 N O2 -","- C50 H50 Br4 N2 O4 -","2","1","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54184","CuKα","","0.0193","0.0192","","","0.0498","0.0498","","","","","","1.067","","","","has coordinates","270790","2021-11-20","23:12:23",""
"1565339","7.5303","0.0001","8.6955","0.0001","39.2876","0.0003","90","","90","","90","","2572.54","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Br N O2 -","- C29 H28 Br N O2 -","- C116 H112 Br4 N4 O8 -","4","1","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54184","CuKα","","0.0286","0.0279","","","0.0727","0.0731","","","","","","1.056","","","","has coordinates","270790","2021-11-20","23:12:23",""
"1565340","8.2099","0.0003","11.6051","0.0004","12.1577","0.0005","87.954","0.003","80.589","0.003","89.897","0.003","1142.02","0.07","296.64","0.19","296.64","0.19","","","","","","","","6","P 1","P 1","1","","","","- C21 H14 Cl4 I N O2 -","- C21 H14 Cl4 I N O2 -","- C42 H28 Cl8 I2 N2 O4 -","2","2","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54184","CuKα","","0.0765","0.0738","","","0.2029","0.2072","","","","","","1.088","","","","has coordinates","270790","2021-11-20","23:12:23",""
"1565345","13.7152","0.0001","15.9459","0.0001","18.6299","0.0001","90","","103.711","0.001","90","","3958.28","0.05","170","0.12","170","0.12","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C84 H96 O14 -","- C84 H96 O14 -","- C168 H192 O28 -","2","1","","Zhao, Yong-Ye; xiao, hongyan; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Adsorptive Separation of Cyclohexanol and Cyclohexanone by Nonporous Adaptive Crystals of RhombicArene","Chemical Science","2021","","","","","10.1039/D1SC04728K","","x-ray","1.54184","CuKα","","0.0463","0.045","","","0.1301","0.1316","","","","","","1.036","","","","has coordinates,has disorder","270814","2021-11-22","23:15:40",""
"1565346","20.0678","0.0001","15.8911","0.0001","25.6047","0.0002","90","","108.962","0.001","90","","7722.23","0.1","170","0.13","170","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H78 N O12 -","- C76 H78 N O12 -","- C304 H312 N4 O48 -","4","2","","Zhao, Yong-Ye; xiao, hongyan; Tung, Chen-Ho; Wu, Li-Zhu; Cong, Huan","Adsorptive Separation of Cyclohexanol and Cyclohexanone by Nonporous Adaptive Crystals of RhombicArene","Chemical Science","2021","","","","","10.1039/D1SC04728K","","x-ray","1.54184","CuKα","","0.0692","0.0636","","","0.1867","0.1945","","","","","","1.046","","","","has coordinates,has disorder","270814","2021-11-22","23:15:40",""
"1565368","7.3043","0.0003","9.0923","0.0003","12.6109","0.0005","80.349","0.003","86.679","0.003","72.338","0.003","786.73","0.05","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9.97 Cl4.03 N2 S -","- C15 H9.965 Cl4.035 N2 S -","- C30 H19.93 Cl8.07 N4 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0368","0.036","","","0.0943","0.095","","","","","","1.028","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565369","7.10603","0.00016","7.22142","0.00017","15.6955","0.0004","83.2406","0.0019","78.4301","0.0019","71.106","0.002","745.33","0.03","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C28 H16 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0277","0.0269","","","0.0769","0.0778","","","","","","1.055","","","","has coordinates,has disorder","288248","2023-12-12","12:55:27",""
"1565370","9.1703","0.0004","13.7683","0.0007","12.5807","0.0006","90","","96.799","0.003","90","","1577.26","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl4 N2 S -","- C15 H10 Cl4 N2 S -","- C60 H40 Cl16 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","","0.71073","MoKα","","0.102","0.0738","","","0.2026","0.2238","","","","","","1.036","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565371","14.4699","0.0008","13.6411","0.0007","16.045","0.001","90","","115.564","0.002","90","","2857","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl4 N2 S -","- C13 H6 Cl4 N2 S -","- C104 H48 Cl32 N16 S8 -","8","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","","0.71073","MoKα","","0.0866","0.0484","","","0.0982","0.1119","","","","","","1.029","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565372","11.5111","0.0015","7.7055","0.0008","16.9368","0.0018","90","","104.127","0.012","90","","1456.8","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl3 N2 S -","- C15 H10 Cl3 N2 S -","- C60 H40 Cl12 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0454","0.0388","","","0.1031","0.1076","","","","","","1.053","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565373","8.9856","0.0005","9.2182","0.0003","9.374","0.0006","103.868","0.004","94.53","0.005","95.061","0.004","746.85","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C28 H16 Cl8 N4 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0275","0.0267","","","0.0724","0.073","","","","","","1.066","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565374","7.4264","0.0007","11.9574","0.0011","11.966","0.0009","115.075","0.009","91.228","0.008","95.201","0.008","956.37","0.16","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Cl4 N2 O S -","- C16 H12 Cl4 N2 O S -","- C32 H24 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0611","0.0546","","","0.1486","0.1565","","","","","","1.056","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565375","7.8074","0.0003","15.8724","0.0004","13.5003","0.0004","90","","105.795","0.003","90","","1609.82","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H9.88 Cl4.12 N2 S -","- C15 H9.877 Cl4.123 N2 S -","- C60 H39.508 Cl16.492 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0748","0.0744","","","0.1732","0.1733","","","","","","1.318","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565376","7.3899","0.0001","10.5325","0.0002","20.5855","0.0004","90","","96.598","0.002","90","","1591.64","0.05","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl4 N2 S -","- C15 H10 Cl4 N2 S -","- C60 H40 Cl16 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1183","0.1198","","","","","","1.057","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565377","9.9369","0.0004","12.2664","0.0004","13.3652","0.0005","91.036","0.003","107.068","0.004","109.355","0.003","1457.25","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl3 N2 S -","- C15 H10 Cl3 N2 S -","- C60 H40 Cl12 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0708","0.0679","","","0.1871","0.1907","","","","","","1.08","","","","has coordinates","275434","2022-05-16","05:31:59",""
"1565378","6.5698","0.0007","16.562","0.002","16.941","0.003","90","","93.51","0.012","90","","1839.9","0.4","100","0.13","100","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10.42 Cl5.58 N2 O S -","- C16 H10.417 Cl5.583 N2 O S -","- C64 H41.668 Cl22.332 N8 O4 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.1319","0.1055","","","0.2644","0.2818","","","","","","1.145","","","","has coordinates,has disorder","272564","2022-02-04","19:08:14",""
"1565379","9.5753","0.0004","9.8718","0.0004","20.099","0.0007","90","","94.444","0.003","90","","1894.16","0.13","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 Cl7 Ga N2 S -","- C13 H6 Cl7 Ga N2 S -","- C52 H24 Cl28 Ga4 N8 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0617","0.0617","","","0.1632","0.1632","","","","","","1.135","","","","has coordinates","272564","2022-02-04","19:08:14",""
"1565380","7.0073","0.0005","9.6628","0.0006","12.0172","0.0007","95.257","0.005","106.738","0.006","101.231","0.006","754.78","0.09","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl4 N2 O S -","- C14 H8 Cl4 N2 O S -","- C28 H16 Cl8 N4 O2 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0408","0.0387","","","0.1048","0.1073","","","","","","1.028","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565381","8.1354","0.0002","9.2414","0.0002","12.9459","0.0006","90.608","0.003","101.838","0.003","105.699","0.002","914.81","0.05","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl6 N3 S -","- C14 H11 Cl6 N3 S -","- C28 H22 Cl12 N6 S2 -","2","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.1028","0.1019","","","0.2915","0.2917","","","","","","1.209","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565382","7.4291","0.0004","18.6148","0.0009","9.0438","0.0005","90","","107.796","0.006","90","","1190.83","0.12","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H5.84 Cl2.16 N3 S -","- C12 H5.835 Cl2.165 N3 S -","- C48 H23.34 Cl8.66 N12 S4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0468","0.0467","","","0.1182","0.1183","","","","","","1.095","","","","has coordinates,has disorder","272564","2022-02-04","19:08:15",""
"1565383","16.7712","0.0003","13.1359","0.0002","13.0495","0.0002","90","","90","","90","","2874.87","0.08","100","0.7","100","0.7","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13.5 H7 Cl4 N2 S -","- C13.5 H7 Cl4 N2 S -","- C108 H56 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0638","0.0615","","","0.1453","0.1454","","","","","","1.237","","","","has coordinates","272564","2022-02-04","19:08:15",""
"1565384","9.0246","0.0003","13.7857","0.0005","12.0756","0.0004","90","","98.513","0.003","90","","1485.78","0.09","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H8 Cl4 N2 S -","- C14 H8 Cl4 N2 S -","- C56 H32 Cl16 N8 S4 -","4","2","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.0769","0.0766","","","0.2049","0.2058","","","","","","1.093","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1565385","14.2979","0.0004","14.0607","0.0003","16.3174","0.0004","90","","90","","90","","3280.43","0.14","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 Cl4 N2 S -","- C16 H12 Cl4 N2 S -","- C128 H96 Cl32 N16 S8 -","8","1","","Borys, Andryj M.; Clark, Ewan R.; Saines, Paul J.; Alberola, Antonio; Rawson, Jeremy M.","A short, versatile route towards benzothiadiazinyl radicals.","Chemical science","2021","13","1","149","158","10.1039/d1sc04248c","","x-ray","1.54184","CuKα","","0.04","0.0399","","","0.0977","0.0977","","","","","","1.108","","","","has coordinates","288248","2023-12-12","12:55:27",""
"1565399","11.5887","0.0004","12.1505","0.0004","14.5684","0.0006","90","","97.342","0.003","90","","2034.54","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H54 Cl6 N4 O6 -","- C31 H54 Cl6 N4 O6 -","- C62 H108 Cl12 N8 O12 -","2","1","","Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Borah, Julie; Goel, Gaurav; Haridas, V.","Bispidine as a β-strand nucleator: from a β-arch to self-assembled cages and vesicles","Chemical Science","2021","","","","","10.1039/D1SC04860K","","","0.71073","MoKα","","0.1009","0.076","","","0.2029","0.2213","","","","","","1.034","","","","has coordinates,has disorder","270865","2021-11-24","23:20:04",""
"1565400","15.755","0.004","9.051","0.002","18.592","0.004","90","","101.785","0.003","90","","2595.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Cu N2 O -","- C27 H38 Cu N2 O -","- C108 H152 Cu4 N8 O4 -","4","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.0508","0.0372","","","0.0948","0.1031","","","","","","1.042","","","","has coordinates,has disorder","270867","2021-11-24","23:21:24",""
"1565401","11.7832","0.0011","12.9552","0.0012","22.918","0.002","90","","94.78","0.003","90","","3486.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cu N3 O -","- C40 H48 Cu N3 O -","- C160 H192 Cu4 N12 O4 -","4","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.0626","0.0433","","","0.1104","0.1236","","","","","","1.039","","","","has coordinates","270867","2021-11-24","23:21:24",""
"1565402","12.8807","0.0005","15.561","0.0005","14.8263","0.0006","90","","108.036","0.002","90","","2825.71","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl4 Cu N3 -","- C30 H24 Cl4 Cu N3 -","- C120 H96 Cl16 Cu4 N12 -","4","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.026","0.0222","","","0.0552","0.057","","","","","","1.038","","","","has coordinates","270867","2021-11-24","23:21:24",""
"1565403","10.3648","0.001","8.5788","0.0008","10.6319","0.0009","90","","100.736","0.004","90","","928.81","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-(1-(1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-yl) benzophenone imine","","- C23 H27 N O -","- C23 H27 N O -","- C46 H54 N2 O2 -","2","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.0948","0.0614","","","0.1225","0.1428","","","","","","1.153","","","","has coordinates","270867","2021-11-24","23:21:25",""
"1565404","8.9066","0.0006","14.0911","0.0009","24.8477","0.0019","90","","97.14","0.004","90","","3094.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Cu N3 -","- C36 H39 Cu N3 -","- C144 H156 Cu4 N12 -","4","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.0733","0.0456","","","0.1181","0.1342","","","","","","1.011","","","","has coordinates","270867","2021-11-24","23:21:25",""
"1565405","16.2558","0.0013","7.4638","0.0006","11.6496","0.001","90","","101.984","0.002","90","","1382.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Jayasooriya, Isuri U.; Bakhoda, Abolghasem (Gus); Palmer, Rachel; Ng, Kristi; Khachemoune, Nour L.; Bertke, Jeffery A.; Warren, Timothy H.","Copper(ii) ketimides in sp3 C–H amination","Chemical Science","2021","","","","","10.1039/D1SC01990B","","","0.71073","MoKα","","0.0794","0.0438","","","0.0835","0.0952","","","","","","1.023","","","","has coordinates","270867","2021-11-24","23:21:25",""
"1565406","7.9231","0.0004","13.8107","0.0006","17.1406","0.0008","90","","102.171","0.005","90","","1833.43","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn-4py-ligand","","- C88 H56 N16 O20 Zn4 -","- C88 H52 N16 O20 Zn4 -","- C88 H52 N16 O20 Zn4 -","1","0.25","","Su, Boya; Liao, Shengyun; Zhu, Haitao; Ge, Shuxian; Liu, Yan; Wang, Jingyao; Chen, Hui; Wang, Lidong","Fabrication of a 2D metal-organic framework (MOF) nanosheet colloidal system and investigation of its fluorescence response to pesticide molecules.","Analytical methods : advancing methods and applications","2021","13","47","5700","5710","10.1039/d1ay01837j","","x-ray","0.71073","MoKα","","0.0728","0.0403","","","0.1035","0.1328","","","","","","0.777","","","","has coordinates","271825","2022-01-06","20:39:17",""
"1565407","23.603","0.002","6.0263","0.0007","10.4104","0.0012","90","","90","","90","","1480.8","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N,N-dimethyl-1-(naphthalen-2-yl)-1-phenylethan-1-amine","","- C20 H21 N -","- C20 H21 N -","- C80 H84 N4 -","4","1","","Chen, Jiahua; Lim, Jun Wei; Ong, Derek Yiren; Chiba, Shunsuke","Iterative addition of carbon nucleophiles to <i>N</i>,<i>N</i>-dialkyl carboxamides for synthesis of α-tertiary amines.","Chemical science","2021","13","1","99","104","10.1039/d1sc05876b","","","1.54178","CuKα","","0.0465","0.0453","","","0.1222","0.1237","","","","","","1.043","","","","has coordinates","272566","2022-02-04","19:08:39",""
"1565408","15.926","0.002","18.696","0.003","26.925","0.004","90","","90","","90","","8017","2","200","2","200","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","TMAVBH","Tetramethylammonium vanadium(v)-bis-hydroxyiminodiacetate","","- C12 H25 N3 O12 V -","- C12 H25 N3 O12 V -","- C192 H400 N48 O192 V16 -","16","0.5","","Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito","Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials","Chemical Science","2021","","","","","10.1039/D1SC04990A","","","0.71073","MoKα","","0.0392","0.0297","","","0.0715","0.0759","","","","","","1.096","","","","has coordinates","270892","2021-11-26","23:13:13",""
"1565409","11.8775","0.0007","8.1637","0.0005","12.1364","0.0006","90","","114.799","0.002","90","","1068.28","0.11","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","TEAVBH","Tetraethylammonium vanadium(v)-bis-hydroxyiminodiacetate","","- C16 H28 N3 O10 V -","- C16 H28 N3 O10 V -","- C32 H56 N6 O20 V2 -","2","1","","Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito","Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials","Chemical Science","2021","","","","","10.1039/D1SC04990A","","","0.71073","MoKα","","0.0231","0.0215","","","0.0564","0.0575","","","","","","1.016","","","","has coordinates","270892","2021-11-26","23:13:14",""
"1565410","13.3481","0.001","12.7135","0.001","18.0999","0.0013","90","","96.632","0.002","90","","3051","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Trimethylbutylammonium vanadium(iv)-bis-hydroxyiminodiacetate","","- C22 H48 N4 O12 V -","- C22 H48 N4 O12 V -","- C88 H192 N16 O48 V4 -","4","1","","Visayas, Benjoe Rey Baguio; Pahari, Shyam K.; Gokoglan, Tugba Ceren; Golen, James A.; Agar, Ertan; Cappillino, Patrick; Mayes, Maricris Lodriguito","Computational and Experimental Investigation of the Effect of Cation Structure on the Solubility of Anionic Flow Battery Active-Materials","Chemical Science","2021","","","","","10.1039/D1SC04990A","","","0.71073","MoKα","","0.0443","0.0358","","","0.0802","0.0857","","","","","","1.085","","","","has coordinates,has disorder","270892","2021-11-26","23:13:14",""
"1565422","10.54","0.0011","12.1568","0.0014","14.1284","0.0014","71.811","0.003","76.438","0.003","65.487","0.003","1553.3","0.3","296","2","296.15","","","","","","","","","8","P 1","P 1","1","","","","- C23 H34 B10 Cl3 D N2 O3 S -","- C23 H34 B10 Cl3 D N2 O3 S -","- C46 H68 B20 Cl6 D2 N4 O6 S2 -","2","2","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","","0.71073","MoKα","","0.0607","0.0461","","","0.0996","0.1089","","","","","","1.04","","","","has coordinates","270917","2021-11-29","23:19:34",""
"1565423","12.097","0.008","13.28","0.01","13.603","0.009","70.744","0.018","72.905","0.018","70.884","0.019","1906","2","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C16 H22 B10 O -","- C16 H22 B10 O -","- C64 H88 B40 O4 -","4","4","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","","0.71073","MoKα","","0.2331","0.115","","","0.262","0.3313","","","","","","0.987","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565424","7.829","","29.804","","9.584","","90","","93.06","","90","","2233.1","","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 B10 Br N O -","- C16 H28 B10 Br N O -","- C64 H112 B40 Br4 N4 O4 -","4","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.1473","0.0942","","","0.2705","0.3114","","","","","","1.042","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565425","7.67","0.002","7.489","0.002","16.814","0.003","90","0.03","102.92","0.03","90","0.03","941.4","0.4","296","2","296.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H24 B9 N -","- C16 H24 B9 N -","- C32 H48 B18 N2 -","2","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.0465","0.0409","","","0.1034","0.1087","","","","","","1.044","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565426","12.6535","0.0005","21.2265","0.0009","15.7104","0.0006","90","","90","","90","","4219.6","0.3","296","2","296.15","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C16 H22 B9 N O -","- C16 H22 B9 N O -","- C128 H176 B72 N8 O8 -","8","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.071","0.0597","","","0.1577","0.1661","","","","","","1.05","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565427","11.866","0.005","24.03","0.009","24.784","0.009","79.345","0.006","88.967","0.007","89.79","0.007","6944","5","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 B10 N O -","- C19 H27 B10 N O -","- C228 H324 B120 N12 O12 -","12","6","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.3408","0.0833","","","0.1684","0.2763","","","","","","0.858","","","","has coordinates","274567","2022-04-19","14:22:37",""
"1565428","10.075","0.002","10.417","0.002","19.182","0.004","90","","102.788","0.003","90","","1963.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 B10 N O -","- C16 H23 B10 N O -","- C64 H92 B40 N4 O4 -","4","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.0741","0.0519","","","0.1427","0.1585","","","","","","1.032","","","","has coordinates","270917","2021-11-29","23:19:39",""
"1565429","7.9346","0.0007","33.245","0.003","8.0629","0.0007","90","","97.993","0.001","90","","2106.2","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 B10 N O2 -","- C17 H25 B10 N O2 -","- C68 H100 B40 N4 O8 -","4","1","","Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong","Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums","Chemical Science","2021","","","","","10.1039/D1SC05296A","","x-ray","0.71073","MoKα","","0.0659","0.054","","","0.1437","0.152","","","","","","1.06","","","","has coordinates","270917","2021-11-29","23:19:40",""
"1565430","10.285","","8.039","","29.472","","90","","99.66","","90","","2402.23","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 F6 N2 P -","- C29 H21 F6 N2 P -","- C116 H84 F24 N8 P4 -","4","1","","Jiang, Xiujie; Tao, Wei; Chen, Cheng; Xu, Guoyong; Zhang, Haoke; Wei, Peifa","An unexpected non-conjugated AIEgen with a discrete dimer for pure intermolecular through-space charge transfer emission","Chemical Science","2021","","","","","10.1039/D1SC05426K","","","1.54186","CuKα","","0.1218","0.0605","","","0.1319","0.162","","","","","","1.012","","","","has coordinates","270918","2021-11-29","23:20:54",""
"1565431","9.1654","0.0006","11.5906","0.0007","12.2355","0.0008","96.138","0.005","97.787","0.005","91.155","0.005","1279.65","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 F6 N2 O2 P -","- C29 H23 F6 N2 O2 P -","- C58 H46 F12 N4 O4 P2 -","2","1","","Jiang, Xiujie; Tao, Wei; Chen, Cheng; Xu, Guoyong; Zhang, Haoke; Wei, Peifa","An unexpected non-conjugated AIEgen with a discrete dimer for pure intermolecular through-space charge transfer emission","Chemical Science","2021","","","","","10.1039/D1SC05426K","","","1.54186","CuKα","","0.088","0.0786","","","0.2154","0.2348","","","","","","1.037","","","","has coordinates,has disorder","270918","2021-11-29","23:20:55",""
"1565432","16.0079","0.0013","12.8244","0.0009","13.7166","0.0011","90","","90.002","0.006","90","","2815.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H70 B2 N4 -","- C68 H70 B2 N4 -","- C136 H140 B4 N8 -","2","0.5","","Tasior, Mariusz; Kowalczyk, Paweł; Przybył, Marta; Czichy, Małgorzata; Janasik, Patryk; Bousquet, Manon H. E.; Łapkowski, Mieczysław; Rammo, Matt; Rebane, Aleksander; Jacquemin, Denis; Gryko, Daniel T.","Going beyond the borders: pyrrolo[3,2-b]pyrroles with deep red emission","Chemical Science","2021","","","","","10.1039/D1SC05007A","","","1.54178","CuKα","","0.242","0.0838","","","0.1338","0.169","","","","","","1.107","","","","has coordinates","270919","2021-11-29","23:21:27",""
"1565464","15.0253","0.0019","15.749","0.0019","16.4568","0.0017","90","","90","","90","","3894.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 I N2 Si Zn -","- C14 H27 I N2 Si Zn -","- C112 H216 I8 N16 Si8 Zn8 -","8","1","","Chandrasekaran, Revathi; Pulikkottil, Feba Thomas; Elama, Krishna Suresh; Rasappan, Ramesh","Direct synthesis and applications of solid silylzinc reagents","Chemical Science","2021","","","","","10.1039/D1SC06038D","","","0.71073","MoKα","","0.0795","0.0436","","","0.0892","0.1078","","","","","","1.084","","","","has coordinates","270946","2021-11-30","23:12:00",""
"1565465","19.651","0.0016","10.2987","0.0008","8.2925","0.0006","90","","90","","90","","1678.2","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H25 I N2 Si Zn -","- C9 H25 I N2 Si Zn -","- C36 H100 I4 N8 Si4 Zn4 -","4","1","","Chandrasekaran, Revathi; Pulikkottil, Feba Thomas; Elama, Krishna Suresh; Rasappan, Ramesh","Direct synthesis and applications of solid silylzinc reagents","Chemical Science","2021","","","","","10.1039/D1SC06038D","","","0.71073","MoKα","","0.0493","0.0392","","","0.0881","0.0938","","","","","","1.028","","","","has coordinates,has disorder","270946","2021-11-30","23:12:00",""
"1565500","5.6003","0.0001","10.154","0.0003","13.8448","0.0003","105.521","0.002","92.92","0.002","102.47","0.002","735.72","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H10 F3 N3 O2 S -","- C15 H10 F3 N3 O2 S -","- C30 H20 F6 N6 O4 S2 -","2","1","","Yang, Zihui; Sun, Yue; Liu, Qingsong; Li, Aliang; Wang, Wenyan; Gu, Wen","Design, Synthesis, and Antifungal Activity of Novel Thiophene/Furan-1,3,4-Oxadiazole Carboxamides as Potent Succinate Dehydrogenase Inhibitors.","Journal of agricultural and food chemistry","2021","69","45","13373","13385","10.1021/acs.jafc.1c03857","","","1.54178","CuKα","","0.0549","0.0543","","","0.1589","0.1596","","","","","","1.01","","","","has coordinates","271075","2021-12-04","00:55:53",""
"1565501","8.8916","0.0001","8.8916","0.0001","25.8071","0.0003","90","","90","","120","","1766.97","0.03","99.9","0.9","99.9","0.9","","","","","","","","3","P 31","P 31","144","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C78 H102 O21 -","3","1","","Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng","Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.","Journal of natural products","2021","84","11","2953","2960","10.1021/acs.jnatprod.1c00787","","x-ray","1.54184","CuKα","","0.0303","0.0293","","","0.0771","0.0776","","","","","","1.063","","","","has coordinates","271076","2021-12-04","01:24:04",""
"1565502","8.6129","0.0002","15.0784","0.0005","17.2106","0.0005","90","","90","","90","","2235.12","0.11","99.9","0.9","99.9","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng","Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.","Journal of natural products","2021","84","11","2953","2960","10.1021/acs.jnatprod.1c00787","","x-ray","1.54184","CuKα","","0.0539","0.0468","","","0.1271","0.1311","","","","","","1.063","","","","has coordinates","271078","2021-12-04","01:24:32",""
"1565503","7.9669","0.0001","8.8993","0.0001","14.7175","0.0001","90","","97.019","0.001","90","","1035.65","0.019","106","5","106","5","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C48 H60 O12 -","2","1","","Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng","Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.","Journal of natural products","2021","84","11","2953","2960","10.1021/acs.jnatprod.1c00787","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0661","0.0663","","","","","","1.057","","","","has coordinates","271079","2021-12-04","01:24:57",""
"1565504","18.8062","0.0006","5.4589","0.0001","21.9181","0.0006","90","","108.589","0.003","90","","2132.75","0.1","99.9","0.8","99.9","0.8","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng","Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.","Journal of natural products","2021","84","11","2953","2960","10.1021/acs.jnatprod.1c00787","","x-ray","1.54184","CuKα","","0.0499","0.0493","","","0.1328","0.1336","","","","","","1.072","","","","has coordinates","271080","2021-12-04","01:25:21",""
"1565505","6.55217","0.00009","7.61602","0.00011","14.54252","0.00019","90","","94.4777","0.0012","90","","723.478","0.017","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","1","","Yan, Hai-Wei; Zhao, Ling-Hao; Zhang, Xu; Yang, Ya-Nan; Yuan, Xiang; Zhang, Pei-Cheng","Photoinduced Irreversible Intramolecular Proton Transfer of Arnebinones B, D, and E: The Case of Photoenolization at the <i>p</i>-Benzoquinone-CH<sub>2</sub>/CH-π System.","Journal of natural products","2021","84","11","2981","2989","10.1021/acs.jnatprod.1c00830","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0824","0.0825","","","","","","1.067","","","","has coordinates","271081","2021-12-04","01:25:47",""
"1565506","6.83225","0.00018","7.31343","0.00017","14.9372","0.0004","90","","97.353","0.002","90","","740.23","0.03","112","1","112","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","1","","Yan, Hai-Wei; Zhao, Ling-Hao; Zhang, Xu; Yang, Ya-Nan; Yuan, Xiang; Zhang, Pei-Cheng","Photoinduced Irreversible Intramolecular Proton Transfer of Arnebinones B, D, and E: The Case of Photoenolization at the <i>p</i>-Benzoquinone-CH<sub>2</sub>/CH-π System.","Journal of natural products","2021","84","11","2981","2989","10.1021/acs.jnatprod.1c00830","","x-ray","1.54184","CuKα","","0.0287","0.0284","","","0.0762","0.0766","","","","","","1.052","","","","has coordinates","271083","2021-12-04","01:27:21",""
"1565507","11.2589","0.0003","7.3921","0.0002","11.6967","0.0003","90","","95.131","0.001","90","","969.58","0.04","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C40 H64 O10 -","2","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0371","0.0343","","","0.0802","0.0825","","","","","","1.046","","","","has coordinates","271084","2021-12-04","01:27:54",""
"1565508","23.336","0.002","25.356","0.003","6.3309","0.0007","90","","90","","90","","3746","0.7","170","","170","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C40 H62 O9 -","- C40 H62 O9 -","- C160 H248 O36 -","4","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.1413","0.0842","","","0.1982","0.2301","","","","","","0.967","","","","has coordinates,has disorder","271085","2021-12-04","01:28:25",""
"1565509","10.1013","0.0004","6.1553","0.0002","15.0094","0.0005","90","","98.483","0.003","90","","923.02","0.06","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0567","0.0406","","","0.0857","0.0958","","","","","","1.083","","","","has coordinates","271087","2021-12-04","01:28:57",""
"1565510","11.9469","0.0004","12.1093","0.0005","12.7326","0.0003","90","","101.625","0.002","90","","1804.22","0.11","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","2","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0432","0.0375","","","0.0877","0.0917","","","","","","1.027","","","","has coordinates","271088","2021-12-04","01:29:20",""
"1565511","6.1966","0.0002","14.5187","0.0006","20.0035","0.0008","90","","90","","90","","1799.65","0.12","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0378","0.0328","","","0.0793","0.0816","","","","","","1.028","","","","has coordinates","271089","2021-12-04","01:29:42",""
"1565512","6.4145","0.0002","13.3715","0.0003","20.4357","0.0005","90","","90","","90","","1752.8","0.08","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0344","0.0319","","","0.0803","0.0821","","","","","","1.056","","","","has coordinates","271090","2021-12-04","01:30:09",""
"1565513","6.0177","0.0003","12.9026","0.0006","13.0816","0.0006","117.122","0.001","90.99","0.002","92.129","0.001","902.73","0.07","170","","170","","","","","","","","","3","P 1","P 1","1","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C40 H60 O8 -","2","2","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0474","0.0469","","","0.1227","0.1232","","","","","","1.044","","","","has coordinates","271091","2021-12-04","01:30:34",""
"1565514","7.1557","0.0002","13.7018","0.0003","27.177","0.0007","90","","90","","90","","2664.6","0.12","105.9","0.5","105.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O9 -","- C29 H46 O9 -","- C116 H184 O36 -","4","1","","Cheng, Xia; Liang, Xiao; Yao, Fei-Hua; Liu, Xiao-Bo; Qi, Shu-Hua","Fusidane-Type Antibiotics from the Marine-Derived Fungus <i>Simplicillium</i> sp. SCSIO 41513.","Journal of natural products","2021","84","11","2945","2952","10.1021/acs.jnatprod.1c00776","","x-ray","1.54184","CuKα","","0.0505","0.0485","","","0.1323","0.1338","","","","","","1.059","","","","has coordinates","271092","2021-12-04","01:30:55",""
"1565515","4.799","0.001","17.338","0.004","17.021","0.003","90","","90.85","0.03","90","","1416.1","0.5","100","0.2","100","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","","Norman, Edward Owen; Hombsch, Stuart; Lever, James; Brkljača, Robert; White, Jonathan; Gasser, Robin B.; Taki, Aya C.; Urban, Sylvia","Phytochemical Profiling and Biological Testing of the Constituents of the Australian Plant <i>Haemodorum brevisepalum</i>.","Journal of natural products","2021","84","11","2832","2844","10.1021/acs.jnatprod.1c00509","","","0.9184","Synchrotron","","0.0806","0.0679","","","0.1911","0.2059","","","","","","1.114","","","","has coordinates","271093","2021-12-04","01:31:18",""
"1565516","7.50545","0.00006","7.48037","0.00005","18.43974","0.00014","90","","92.1467","0.0007","90","","1034.55","0.013","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C44 H56 O16 -","2","1","","Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo","Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.","Journal of natural products","2021","84","11","2875","2884","10.1021/acs.jnatprod.1c00617","","x-ray","1.54184","CuKα","","0.0479","0.0465","","","0.1291","0.1314","","","","","","1.04","","","","has coordinates","271094","2021-12-04","01:31:41",""
"1565517","6.8672","0.0001","11.9218","0.0001","20.574","0.0002","90","","90","","90","","1684.38","0.03","100","0.11","100","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo","Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.","Journal of natural products","2021","84","11","2875","2884","10.1021/acs.jnatprod.1c00617","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0869","0.0876","","","","","","1.096","","","","has coordinates","271095","2021-12-04","01:32:15",""
"1565518","9.1402","0.0002","11.4665","0.0002","16.076","0.0003","90","","90","","90","","1684.86","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C76 H80 O32 -","4","1","","Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo","Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.","Journal of natural products","2021","84","11","2875","2884","10.1021/acs.jnatprod.1c00617","","x-ray","1.54184","CuKα","","0.0409","0.0358","","","0.086","0.0888","","","","","","1.038","","","","has coordinates","271096","2021-12-04","01:32:34",""
"1565519","6.8062","0.0006","11.6371","0.001","19.7825","0.0017","90","","90","","90","","1566.9","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","AT2911_A_LT","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0254","0.0254","","","0.0648","0.0648","","","","","","1.051","","","","has coordinates","271097","2021-12-04","01:32:55",""
"1565520","7.9241","0.0006","9.6917","0.0006","20.1875","0.0015","90","","90","","90","","1550.36","0.19","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","AT2911_B6","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0346","0.0305","","","0.0721","0.0742","","","","","","1.053","","","","has coordinates","271098","2021-12-04","01:33:16",""
"1565521","15.0046","0.0003","30.297","0.0005","6.7685","0.0001","90","","90","","90","","3076.92","0.09","273.15","","273.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","AT2911_Re_A1","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","2","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0336","0.0318","","","0.081","0.0826","","","","","","1.026","","","","has coordinates","271099","2021-12-04","01:33:37",""
"1565522","9.6584","0.0008","8.5478","0.0007","9.765","0.0007","90","","96.202","0.003","90","","801.46","0.11","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","At2911_Re_016_B3_B4","","- C19 H22 O7 -","- C19 H22 O7 -","- C38 H44 O14 -","2","1","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0275","0.027","","","0.0712","0.0718","","","","","","0.937","","","","has coordinates","271100","2021-12-04","01:33:57",""
"1565523","20.2746","0.0007","5.3528","0.0002","11.9234","0.0004","90","","95.579","0.001","90","","1287.87","0.08","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1S,3aR,4S,6aS)-4-(6-methoxybenzo[d][1,3]dioxol-5-yl)dihydro-1H,3H-furo[3,4-c]furan-1,6a(6H)-diol","","- C14 H16 O7 -","- C14 H16 O7 -","- C56 H64 O28 -","4","1","","Chi, Yuan; Zhou, Huan; He, Hong-Wei; Ma, Yi-Dan; Li, Bo; Xu, Dan; Gao, Jin-Ming; Xu, Gong","Total Synthesis and Anti-Tobacco Mosaic Virus Activity of the Furofuran Lignan (±)-Phrymarolin II and Its Analogues.","Journal of natural products","2021","84","11","2937","2944","10.1021/acs.jnatprod.1c00763","","","1.54184","synchrotron","","0.036","0.0354","","","0.0883","0.0889","","","","","","1.096","","","","has coordinates","271101","2021-12-04","01:34:18",""
"1565524","4.58111","0.00005","5.59297","0.00006","4.96249","0.00005","90","","90","","90","","127.149","0.002","295","","295","","","","","","","","Synthesized","3","P b c n","-P 2n 2ab","60","Alpha-Fe2WO6","Iron tungsten oxide","","- Fe2.67 O8 W1.33 -","- Fe2.66664 O8 W1.33336 -","- Fe2.66664 O8 W1.33336 -","1","0.125","","Caubergh, Stéphane; Matsubara, Nami; Damay, Françoise; Fauth, François; Khalyavin, Dmitry D.; Manuel, Pascal; Mahmoud, Abdelfattah; Poelman, Dirk; Martin, Christine; Vertruyen, Bénédicte","Cationic Ordering, Solid Solution Domain, and Diffuse Reflectance in Fe2WO6 Polymorphs","The Journal of Physical Chemistry C","2021","125","46","25907","25916","10.1021/acs.jpcc.1c08314","powder diffraction","x-ray","0.44304","synchrotron","","","","","","","","","5.7481","0.27115","","","","","","","has coordinates","271104","2021-12-04","02:46:04",""
"1565525","7.9798","0.0001","7.2523","0.0001","14.3587","0.0002","90","","92.458","0.002","90","","830.201","0.019","299.98","0.1","299.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H10 N4 -","- C22 H10 N4 -","- C44 H20 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.0611","0.0578","","","0.15","0.1538","","","","","","1.047","","","","has coordinates","271105","2021-12-04","02:46:26",""
"1565526","7.1725","0.0003","10.0841","0.0004","14.7504","0.0005","90","","102.395","0.004","90","","1042","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 N4 -","- C28 H14 N4 -","- C56 H28 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.1074","0.095","","","0.3333","0.3622","","","","","","1.542","","","","has coordinates","271106","2021-12-04","02:46:47",""
"1565527","7.0091","0.0004","9.4292","0.0005","13.9875","0.0008","90","","101.465","0.006","90","","905.99","0.09","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 N4 -","- C26 H12 N4 -","- C52 H24 N8 -","2","0.5","","Chen, Ye-Tao; Chen, Wenbin; He, Jiaxing; Zhang, Guohui; Wen, Xinyi; Ran, Shuping; Deng, Ziqi; Zhu, Sheng; Li, Hailin; Ni, Shaofei; Chen, Shunli; Dang, Li; Li, Ming-De","Tailormade Nonradiative Rotation Tuning of the Near-Infrared Photothermal Conversion in Donor–Acceptor Cocrystals","The Journal of Physical Chemistry C","2021","125","46","25462","25469","10.1021/acs.jpcc.1c09151","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1479","0.1504","","","","","","1.064","","","","has coordinates","271107","2021-12-04","02:47:07",""
"1565528","6.6691","0.0002","22.8845","0.0007","8.3705","0.0003","90","","108.977","0.004","90","","1208.06","0.07","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","1.54184","Synchrotron","","0.1687","0.0948","","","0.1766","0.209","","","","","","1.0612","","","","has coordinates","271108","2021-12-04","02:47:39",""
"1565529","6.62655","0.00014","22.8918","0.0004","8.33673","0.00018","90","","109.195","0.002","90","","1194.32","0.04","200","","200","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.1024","0.069","","","0.1604","0.1802","","","","","","1.09","","","","has coordinates","271109","2021-12-04","02:48:02",""
"1565530","6.58484","0.00014","22.9103","0.0005","8.31003","0.00018","90","","109.278","0.002","90","","1183.36","0.05","100","","100","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","x-ray","0.7","Synchrotron","","0.0776","0.0571","","","0.1497","0.1637","","","","","","1.0632","","","","has coordinates","271110","2021-12-04","02:48:34",""
"1565531","6.6095","0.0001","22.9174","0.0005","8.3274","0.0002","90","","109.247","0.002","90","","1190.87","0.05","150","","150","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","tetramethylbenzidine tetrafluorotetracyanoquinodimethane","","- C28 H20 F4 N6 -","- C28 H20 F4 N6 -","- C56 H40 F8 N12 -","2","0.5","","Canossa, Stefano; Ferrari, Elena; Sippel, Pit; Fischer, Jonas K. H.; Pfattner, Raphael; Frison, Ruggero; Masino, Matteo; Mas-Torrent, Marta; Lunkenheimer, Peter; Rovira, Concepció; Girlando, Alberto","Tetramethylbenzidine–TetrafluoroTCNQ (TMB–TCNQF4): A Narrow-Gap Semiconducting Salt with Room-Temperature Relaxor Ferroelectric Behavior","The Journal of Physical Chemistry C","2021","125","46","25816","25824","10.1021/acs.jpcc.1c07131","","","0.7","synchrotron","","0.0698","0.0509","","","0.1394","0.153","","","","","","1.054","","","","has coordinates","271111","2021-12-04","02:48:56",""
"1565532","15.8872","0.0003","27.0504","0.0005","8.1864","0.0002","90","","101.837","0.002","90","","3443.33","0.13","298.86","0.1","298.86","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H36 Cl7 N4 O2 Sb -","- C20 H36 Cl7 N4 O2 Sb -","- C80 H144 Cl28 N16 O8 Sb4 -","4","0.5","","Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun","Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence","The Journal of Physical Chemistry C","2021","125","45","25112","25118","10.1021/acs.jpcc.1c07725","","x-ray","1.54184","CuKα","","0.0311","0.0294","","","0.0828","0.0836","","","","","","1.089","","","","has coordinates","271112","2021-12-04","02:49:19",""
"1565533","12.743","0.0001","28.0958","0.0003","8.4578","0.0001","90","","103.048","0.001","90","","2949.92","0.05","298.3","0.7","298.3","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Cl7 N4 Sb -","- C20 H32 Cl7 N4 Sb -","- C80 H128 Cl28 N16 Sb4 -","4","0.5","","Li, Xianli; Peng, Chao; Xiao, Yonghong; Xue, Dongfeng; Luo, Binbin; Huang, Xiao-Chun","Guest-Induced Reversible Phase Transformation of Organic–Inorganic Phenylpiperazinium Antimony (III) Chlorides with Solvatochromic Photoluminescence","The Journal of Physical Chemistry C","2021","125","45","25112","25118","10.1021/acs.jpcc.1c07725","","x-ray","1.54184","CuKα","","0.0655","0.0644","","","0.1766","0.177","","","","","","1.257","","","","has coordinates,has disorder","271113","2021-12-04","02:49:46",""
"1565534","10.3099","0.0007","13.9369","0.0008","13.8855","0.0012","90","","93.83","0.002","90","","1990.7","0.2","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C14 H8 Cu N6 S8 -","- C14 H8 Cu N6 S8 -","- C56 H32 Cu4 N24 S32 -","4","0.5","","Huang, Yulong; Mitchell, Travis; Yost, Dillon C.; Hu, Yong; Benedict, Jason B.; Grossman, Jeffrey C.; Ren, Shenqiang","Emerged Metallicity in Molecular Ferromagnetic Wires.","Nano letters","2021","21","22","9746","9753","10.1021/acs.nanolett.1c03663","","","0.71073","MoKα","","0.0447","0.0294","","","0.0642","0.0689","","","","","","1.026","","","","has coordinates","271115","2021-12-04","03:31:56",""
"1565565","9.4035","0.0001","10.6249","0.0001","9.5173","0.0001","90","","95.379","0.001","90","","946.698","0.017","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H17 F3 N2 O -","- C22 H17 F3 N2 O -","- C44 H34 F6 N4 O2 -","2","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0307","0.0302","","","0.0767","0.0771","","","","","","1.072","","","","has coordinates","276603","2022-07-06","07:59:32",""
"1565566","10.1505","0.0002","19.0261","0.0009","11.5778","0.0004","90","","90","","90","","2235.96","0.14","300.28","0.15","300.28","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Br F3 N2 -","- C27 H18 Br F3 N2 -","- C108 H72 Br4 F12 N8 -","4","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0832","0.0748","","","0.2167","0.2233","","","","","","1.111","","","","has coordinates","276603","2022-07-06","07:59:35",""
"1565567","10.311","0.0002","12.3464","0.0002","34.9989","0.0007","90","","90","","90","","4455.49","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F4 N2 O -","- C25 H22 F4 N2 O -","- C200 H176 F32 N16 O8 -","8","2","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0718","0.0517","","","0.12","0.1343","","","","","","1.051","","","","has coordinates","276603","2022-07-06","07:59:46",""
"1565569","10.2936","0.0004","11.0038","0.0005","13.3415","0.0005","98.452","0.002","102.852","0.002","96.092","0.002","1442.14","0.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Carbonyl-chlorido-η2-C,C?-ethinylethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C24 H36 B Cl3 N6 O2 W -","- C24 H36 B Cl3 N6 O2 W -","- C48 H72 B2 Cl6 N12 O4 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0644","0.0462","","","0.0916","0.0987","","","","","","1.09","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565570","9.9415","0.0005","11.0539","0.0006","17.5643","0.0009","98.146","0.002","97.68","0.002","105.73","0.002","1808.92","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-κ2-C,O-{3-(2,6-dimethylphenylamino)propan-3-ylidene-1-oate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C32.5 H43 B Cl3 N7 O4 W -","- C31 H40 B N7 O4 W -","- C62 H80 B2 N14 O8 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0463","0.0339","","","0.0641","0.0666","","","","","","1.05","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565571","10.2497","0.0009","11.3925","0.0009","16.0476","0.0013","105.219","0.003","96.074","0.003","93.672","0.003","1789.8","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-methoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C32.84 H43.68 B Cl1.68 N7 O4 W -","- C32.841 H43.682 B Cl1.682 N7 O4 W -","- C65.682 H87.364 B2 Cl3.364 N14 O8 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0657","0.0429","","","0.0763","0.0837","","","","","","1.027","","","","has coordinates,has disorder","272569","2022-02-04","19:10:04",""
"1565572","9.8806","0.0004","22.4324","0.0008","17.6641","0.0007","90","","105.658","0.002","90","","3769.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-ethoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C33.62 H45.25 B Cl1.25 N7 O4 W -","- C33 H44 B N7 O4 W -","- C132 H176 B4 N28 O16 W4 -","4","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0439","0.0365","","","0.0722","0.074","","","","","","1.242","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565573","9.7834","0.0006","11.173","0.0007","11.3156","0.0007","64.197","0.003","72.129","0.003","88.96","0.003","1050.19","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","[Di(carbonyl)-hydridotris(3,5-dimethylpyrazolyl)borato-η1-ketenyl-tungsten(II)]","","- C19 H23 B N6 O3 W -","- C19 H23 B N6 O3 W -","- C38 H46 B2 N12 O6 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0247","0.0224","","","0.0551","0.0564","","","","","","1.074","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565574","10.3289","0.0005","11.4973","0.0005","13.0257","0.0006","98.414","0.001","113.051","0.001","92.169","0.001","1400.32","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","[Di(carbonyl)-η2-C,C?-ethinylmethylether-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]-tetrafluoroborate","","- C23 H32 B2 F4 N6 O3 W -","- C23 H32 B2 F4 N6 O3 W -","- C46 H64 B4 F8 N12 O6 W2 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0265","0.0224","","","0.0534","0.056","","","","","","1.112","","","","has coordinates,has disorder","272569","2022-02-04","19:10:04",""
"1565575","11.4957","0.0014","22.605","0.003","14.7243","0.0017","90","","99.238","0.002","90","","3776.6","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Di(carbonyl)-κ2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-diethyamino-prop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]","","- C37 H53 B N8 O3 W -","- C37 H53 B N8 O3 W -","- C148 H212 B4 N32 O12 W4 -","4","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0355","0.0241","","","0.053","0.057","","","","","","1.047","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565576","15.3547","0.001","15.392","0.001","17.9913","0.0012","82.881","0.002","89.831","0.002","62.331","0.002","3729.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis[di(carbonyl)-κ2-C,O-{3-(2,6-dimethylphenylamino)propan-3-ylidene-1-oate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]anhydride","","- C65 H84 B2 Cl6 N14 O7 W2 -","- C62 H78 B2 N14 O7 W2 -","- C124 H156 B4 N28 O14 W4 -","2","1","","Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.","Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.","Chemical science","2021","13","1","123","132","10.1039/d1sc06149f","","","0.71073","MoKα","","0.0787","0.0427","","","0.0801","0.0868","","","","","","1.07","","","","has coordinates","272569","2022-02-04","19:10:04",""
"1565577","9.6587","0.0001","11.5335","0.0001","12.4216","0.0001","114.357","0.001","102.222","0.001","94.593","0.001","1210.05","0.02","294.15","","294.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O3 -","- C30 H21 N3 O3 -","- C60 H42 N6 O6 -","2","1","","Lin, Wei; Zhao, Qun; Li, Yao; Pan, Ming; Yang, Chen; Yang, Guo-Hui; Li, Xin","Asymmetric synthesis of N-N axially chiral compounds <i>via</i> organocatalytic atroposelective <i>N</i>-acylation.","Chemical science","2021","13","1","141","148","10.1039/d1sc05360d","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1222","0.124","","","","","","1.058","","","","has coordinates","272567","2022-02-04","19:08:49",""
"1565578","8.7349","0.0003","18.3308","0.0005","14.1743","0.0005","90","","94.763","0.003","90","","2261.72","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N3 O P -","- C27 H20 N3 O P -","- C108 H80 N12 O4 P4 -","4","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71073","MoKα","","0.073","0.0522","","","0.1553","0.1737","","","","","","1.099","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1565579","18.7793","0.0007","8.0735","0.0002","26.4549","0.0011","90","","122.492","0.003","90","","3383.1","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 Cl2 N5 O P -","- C40 H28 Cl2 N5 O P -","- C160 H112 Cl8 N20 O4 P4 -","4","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71073","MoKα","","0.0773","0.05","","","0.1144","0.1299","","","","","","1.015","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1565580","8.265","0.005","23.677","0.005","26.571","0.005","90","0.005","90","0.005","90","0.005","5200","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H23 N4 O P -","- C33 H23 N4 O P -","- C264 H184 N32 O8 P8 -","8","1","","Duan, Chunbo; Xin, Ying; Wang, Zicheng; Zhang, Jing; Han, Chunmiao; Xu, Hui","High-efficiency hyperfluorescent white light-emitting diodes based on high-concentration-doped TADF sensitizer matrices <i>via</i> spatial and energy gap effects.","Chemical science","2021","13","1","159","169","10.1039/d1sc05753g","","","0.71069","MoKα","","0.1622","0.0721","","","0.1657","0.2307","","","","","","1.024","","","","has coordinates","272563","2022-02-04","19:05:34",""
"1565581","11.0895","0.0003","18.9868","0.0005","34.9643","0.001","90","","90.0597","0.001","90","","7361.9","0.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 B9 Cl3 P2 Ru -","- C33 H41 B9 Cl3 P2 Ru -","- C264 H328 B72 Cl24 P16 Ru8 -","8","2","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0731","0.0474","","","0.0963","0.1088","","","","","","1.029","","","","has coordinates,has disorder","271240","2021-12-07","11:27:18",""
"1565582","16.8803","0.001","20.5774","0.0012","20.9312","0.0012","90","","106.242","0.002","90","","6980.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B9 Cl P2 Ru -","- C32 H44 B9 Cl P2 Ru -","- C256 H352 B72 Cl8 P16 Ru8 -","8","2","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0769","0.0419","","","0.0774","0.0918","","","","","","1.024","","","","has coordinates,has disorder","271241","2021-12-07","11:28:57",""
"1565583","13.9369","0.0018","12.4716","0.0016","20.085","0.003","90","","93.786","0.004","90","","3483.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B9 Cl P2 Ru -","- C32 H41 B9 Cl P2 Ru -","- C128 H164 B36 Cl4 P8 Ru4 -","4","1","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0715","0.057","","","0.0943","0.0985","","","","","","1.177","","","","has coordinates,has disorder","271242","2021-12-07","11:29:51",""
"1565584","7.5278","0.0008","8.0007","0.0009","12.881","0.0014","98.677","0.009","90.081","0.008","106.197","0.008","735.7","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 B2 Fe N4 -","- C16 H16 B2 Fe N4 -","- C32 H32 B4 Fe2 N8 -","2","1","","Henkelmann, Marcel; Omlor, Andreas; Bolte, Michael; Schunemann, Volker; Lerner, Hans-Wolfram; Noga, Jozef; Hrobarik, Peter; Wagner, Matthias","A free boratriptycene-type Lewis superacid","Chemical Science","2021","","","","","10.1039/D1SC06404E","","","0.71073","MoKα","","0.0853","0.0793","","","0.2082","0.2155","","","","","","1.06","","","","has coordinates","271253","2021-12-07","23:14:05",""
"1565585","10.5639","0.0004","14.7558","0.0006","16.3919","0.0007","78.271","0.003","89.479","0.003","85.808","0.003","2495.06","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H23 B3 F20 Fe N4 -","- C44 H23 B3 F20 Fe N4 -","- C88 H46 B6 F40 Fe2 N8 -","2","1","","Henkelmann, Marcel; Omlor, Andreas; Bolte, Michael; Schunemann, Volker; Lerner, Hans-Wolfram; Noga, Jozef; Hrobarik, Peter; Wagner, Matthias","A free boratriptycene-type Lewis superacid","Chemical Science","2021","","","","","10.1039/D1SC06404E","","","0.71073","MoKα","","0.0828","0.0699","","","0.1734","0.184","","","","","","1.189","","","","has coordinates","271253","2021-12-07","23:14:07",""
"1565586","8.7","0.0005","9.4404","0.0005","13.063","0.0007","99.602","0.004","102.526","0.004","112.399","0.004","930.61","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 B2 Fe N4 -","- C20 H24 B2 Fe N4 -","- C40 H48 B4 Fe2 N8 -","2","1","","Henkelmann, Marcel; Omlor, Andreas; Bolte, Michael; Schunemann, Volker; Lerner, Hans-Wolfram; Noga, Jozef; Hrobarik, Peter; Wagner, Matthias","A free boratriptycene-type Lewis superacid","Chemical Science","2021","","","","","10.1039/D1SC06404E","","","0.71073","MoKα","","0.0348","0.0338","","","0.0872","0.0879","","","","","","1.151","","","","has coordinates","271253","2021-12-07","23:14:07",""
"1565587","46.3281","0.0016","18.1515","0.0006","14.1178","0.0005","90","","105.884","0.003","90","","11418.7","0.7","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H15 B3 F20 Fe N4 -","- C40 H15 B3 F20 Fe N4 -","- C480 H180 B36 F240 Fe12 N48 -","12","3","","Henkelmann, Marcel; Omlor, Andreas; Bolte, Michael; Schunemann, Volker; Lerner, Hans-Wolfram; Noga, Jozef; Hrobarik, Peter; Wagner, Matthias","A free boratriptycene-type Lewis superacid","Chemical Science","2021","","","","","10.1039/D1SC06404E","","","0.71073","MoKα","","0.0988","0.0619","","","0.1371","0.1589","","","","","","1.039","","","","has coordinates","271253","2021-12-07","23:14:07",""
"1565588","12.5255","0.0004","19.1507","0.0009","18.4469","0.0006","90","","106.913","0.003","90","","4233.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H20 B3 F20 Fe N5 -","- C45 H20 B3 F20 Fe N5 -","- C180 H80 B12 F80 Fe4 N20 -","4","1","","Henkelmann, Marcel; Omlor, Andreas; Bolte, Michael; Schunemann, Volker; Lerner, Hans-Wolfram; Noga, Jozef; Hrobarik, Peter; Wagner, Matthias","A free boratriptycene-type Lewis superacid","Chemical Science","2021","","","","","10.1039/D1SC06404E","","","0.71073","MoKα","","0.064","0.0473","","","0.0904","0.0956","","","","","","1.145","","","","has coordinates","271253","2021-12-07","23:14:07",""
"1565589","11.632","0.0008","9.0024","0.0009","29.319","0.002","90","","90","","90","","3070.2","0.4","292.6","0.3","292.6","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","DTTP4","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","1","","Kim, Yumin; Kang, Sangyoon; Lee, Byung Hun; Song, Youngjun; Kang, Sunah; Park, Hye Yoon; Lee, Yan","De novo generation of a bright blue fluorophore from 2-oxoglutarate in biological samples","Chemical Science","2021","","","","","10.1039/D1SC05808H","","x-ray","0.71073","MoKα","","0.1256","0.0638","","","0.127","0.1553","","","","","","1.035","","","","has coordinates","271254","2021-12-07","23:15:04",""
"1565642","8.6799","0.0008","11.4092","0.001","14.721","0.0013","90.308","0.007","103.619","0.007","93.801","0.007","1413.4","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato-κ^5^<i>O</i>,<i>S</i>,<i>N</i>^1^,<i>S</i>',<i>O</i>':κ^5^<i>O</i>'',<i>S</i>'',<i>N</i>^4^,<i>S</i>''',<i>O</i>''')bis[aquanickel(II)] heptahydrate","","- C16 H34 N2 Ni2 O17 S4 -","- C16 H34 N2 Ni2 O17 S4 -","- C32 H68 N4 Ni4 O34 S8 -","2","1","","Pacifico, Jessica; Stoeckli-Evans, Helen","(μ-2,2',2'',2'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)bis[aquanickel(II)] heptahydrate","IUCrData","2021","6","12","x211295","","10.1107/S2414314621012955","","","0.71073","MoKα","","0.0569","0.0393","","","0.0891","0.0964","","","","","","1.022","","","","has coordinates,has Fobs","271318","2021-12-10","03:16:32",""
"1565661","8.6416","0.0009","6.2775","0.0006","10.9475","0.0012","90","","96.634","0.004","90","","589.9","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","VRT-2433340","","","- C13 H14 O4 S -","- C13 H14 O4 S -","- C26 H28 O8 S2 -","2","1","","Goetzke, F. Wieland; Sidera, Mireia; Fletcher, Stephen P.","Catalytic asymmetric hydrometallation of cyclobutenes with salicylaldehydes.","Chemical science","2021","13","1","236","240","10.1039/d1sc06035j","","x-ray","0.71073","MoKα","K-L~3~","0.0234","0.0229","","","0.0634","0.0639","","","","","","1.098","","","","has coordinates","272560","2022-02-04","19:05:01",""
"1565674","7.5343","0.0001","17.2112","0.0001","11.5465","0.0001","90","","95.379","0.001","90","","1490.69","0.03","123","0.1","123","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Tian, Ya-Ming; Wang, Huaiju; Ritu, ?; König, Burkhard","Photocatalytic synthesis of tetra-substituted furans promoted by carbon dioxide.","Chemical science","2021","13","1","241","246","10.1039/d1sc06403g","","x-ray","1.54184","CuKα","","0.0331","0.0317","","","0.0813","0.0822","","","","","","1.037","","","","has coordinates","272565","2022-02-04","19:08:30",""
"1565715","18.4424","0.0011","17.3145","0.0011","7.318","0.0005","90","","93.009","0.002","90","","2333.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N2 -","- C31 H20 N2 -","- C124 H80 N8 -","4","1","","Shang, Qian; Tang, Haifang; Liu, Yongping; Yin, MingMing; Su, Lebin; Xie, Shimin; Liu, Lixin; Yang, Wen; Chen, Yi; Dong, Jianyu; Zhou, Yongbo; Yin, Shuang-Feng","Cu(i) catalysis for selective condensation/bicycloaromatization of two different arylalkynes: direct and general construction of functionalized C-N axial biaryl compounds.","Chemical science","2021","13","1","263","273","10.1039/d1sc03865f","","","0.71073","MoKα","","0.0422","0.0393","","","0.1025","0.1048","","","","","","1.085","","","","has coordinates","272568","2022-02-04","19:08:58",""
"1565779","22.7267","0.0014","22.7267","0.0014","27.59","0.002","90","","90","","120","","12341.1","1.4","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C81 H186 Ag20 O27 P12 Pt S24 -","- C81 H186 Ag20 O27 P12 Pt S24 -","- C243 H558 Ag60 O81 P36 Pt3 S72 -","3","0.333333","","Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Chiu, Tzu-Hao; Liao, Jian-Hong; Liu, C. W.; Saillard, Jean-Yves","Alloying dichalcogenolate-protected Ag<sub>21</sub> eight-electron nanoclusters: a DFT investigation.","Nanoscale","2021","14","1","196","203","10.1039/d1nr06019h","","","0.71073","MoKα","","0.0522","0.0491","","","0.1194","0.1231","","","","","","1.044","","","","has coordinates,has disorder","272705","2022-02-04","19:51:15",""
"1565813","14.4504","0.0016","14.4504","0.0016","7.42607","0.00023","90","","90","","120","","1342.9","0.2","300","","","","","","","","","","","3","P 63","P 6c","173","","","","- Fe7 O38 P11 -","- Fe7 O38 P11 -","- Fe14 O76 P22 -","2","0.333333","","Goj, Pawel; Wajda, Aleksandra; Blachowski, Artur; Stoch, Pawel","A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification","Scientific Reports","2021","11","1","22957","","10.1038/s41598-021-02471-0","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","271539","2021-12-20","15:52:24",""
"1565824","3.7924","0.0003","19.8932","0.0018","6.3155","0.0005","90","","91.084","0.006","90","","476.37","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Thiazole-4-carbonitrile","","- C4 H2 N2 S -","- C4 H2 N2 S -","- C16 H8 N8 S4 -","4","1","HB4395","Fait, Martin J. G.; Spannenberg, Anke; Kondratenko, Evgenii V.; Linke, David","1,3-Thiazole-4-carbonitrile","IUCrData","2021","6","12","x211332","","10.1107/S2414314621013328","","","1.54178","CuKα","","0.0406","0.0379","","","0.0948","0.097","","","","","","1.092","","","","has coordinates,has Fobs","271583","2021-12-22","03:27:13",""
"1565825","6.732","0.0005","7.7574","0.0005","10.6128","0.0008","82.458","0.006","72.596","0.005","65.476","0.005","481.13","0.06","296","2","296.15","","","","","","","","","3","P 1","P 1","1","","Methyl α-<i>l</i>-sorboside monohydrate","","- C7 H16 O7 -","- C7 H16 O7 -","- C14 H32 O14 -","2","2","BV4043","Matsumoto, Mao; Nagayama, Natsumi; Hirose, Ryo; Takeshita, Kei; Ishii, Tomohiko","Methyl α-<small>L</small>-sorboside monohydrate","IUCrData","2021","6","12","x211325","","10.1107/S2414314621013250","","","1.54187","CuKα","","0.0488","0.0478","","","0.1237","0.1249","","","","","","1.128","","","","has coordinates,has Fobs","271584","2021-12-22","03:27:41",""
"1565893","12.4069","0.0017","14.0221","0.0019","16.934","0.002","91.459","0.003","91.205","0.003","90.613","0.003","2944.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido(η^6^-<i>p</i>-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)","","- C31 H35 Cl2 O3 P Ru -","- C31 H35 Cl2 O3 P Ru -","- C124 H140 Cl8 O12 P4 Ru4 -","4","2","TK4072","Davis, Wade L.; Muller, Alfred","Dichlorido(η6-p-cymene)[tris(4-methoxyphenyl)phosphane]ruthenium(II)","IUCrData","2021","6","12","","","10.1107/S2414314621012591","","","0.71073","MoKα","","0.0795","0.0697","","","","0.1809","","","","","","1.092","","","","has coordinates,has Fobs","271677","2022-01-01","05:21:29",""
"1565894","17.0295","0.0011","10.2484","0.0006","9.8976","0.0006","90","","103.468","0.002","90","","1679.88","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Singh, Neelu; Gupta, Ajay; Prasad, Puja; Sah, Raj Kumar; Singh, Arvind; Kumar, Sunil; Singh, Shailja; Gupta, Shalini; Sasmal, Pijus K.","Mitochondria-Targeted Photoactivatable Real-Time Monitoring of a Controlled Drug Delivery Platform.","Journal of medicinal chemistry","2021","64","24","17813","17823","10.1021/acs.jmedchem.1c00956","","","0.71073","MoKα","","0.0659","0.0449","","","0.1127","0.1309","","","","","","1.047","","","","has coordinates","271773","2022-01-04","01:08:43",""
"1565895","8.2975","0.0005","12.0102","0.0007","13.9497","0.0008","90","","90","","90","","1390.15","0.14","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Liu, Xingchen; Wang, Cheng; Li, Shang; Qu, Lailiang; Yin, Fucheng; Lu, Dehua; Luo, Heng; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Wang, Xiaobing; Kong, Lingyi","Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer.","Journal of medicinal chemistry","2021","64","23","17304","17325","10.1021/acs.jmedchem.1c01380","","","1.54178","CuKα","","0.0488","0.0448","","","0.1114","0.1163","","","","","","1.063","","","","has coordinates","271774","2022-01-04","01:09:10",""
"1565896","14.2798","0.0008","10.3222","0.0006","7.3243","0.0004","90","","90","","90","","1079.59","0.11","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Cl5 Cs2 H2 In O -","- Cl5 Cs2 H2 In O -","- Cl20 Cs8 H8 In4 O4 -","4","0.5","","Kshirsagar, Anuraj S.; Arfin, Habibul; Banerjee, Srijita; Mondal, Barnali; Nag, Angshuman","Colloidal Sb3±Doped Cs2InCl5·H2O Perovskite Nanocrystals with Temperature-Dependent Luminescence","The Journal of Physical Chemistry C","2021","125","50","27671","27677","10.1021/acs.jpcc.1c08720","","","0.71073","","","0.0255","0.0239","","","0.0845","0.0875","","","","","","0.79","","","","has coordinates","271776","2022-01-04","02:06:20",""
"1565897","11.7566","0.0005","7.5793","0.0003","22.5745","0.0008","90","","90","","90","","2011.54","0.14","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 F N -","- C13 H8 F N -","- C104 H64 F8 N8 -","8","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0811","0.0501","","","0.1254","0.1533","","","","","","1.052","","","","has coordinates","271777","2022-01-04","02:06:44",""
"1565898","9.4587","0.0013","14.6067","0.0016","15.293","0.002","90","","98.149","0.005","90","","2091.6","0.5","159","2","159","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","2","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0395","0.0356","","","0.076","0.0771","","","","","","1.347","","","","has coordinates,has disorder","271778","2022-01-04","02:07:10",""
"1565899","9.4825","0.0004","14.6148","0.0005","15.3482","0.0006","90","","98.097","0.002","90","","2105.82","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N -","- C13 H8 Br N -","- C104 H64 Br8 N8 -","8","2","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.039","0.035","","","0.0877","0.0892","","","","","","1.187","","","","has coordinates","271779","2022-01-04","02:07:30",""
"1565900","3.7723","0.0002","11.1607","0.0006","12.1361","0.0007","90","","94.841","0.002","90","","509.13","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H8 Cl N -","- C13 H8 Cl N -","- C26 H16 Cl2 N2 -","2","1","","Xie, Ning; Yu, Hanbo; Wang, Jiaxuan; Li, Zhiqiang; Wei, Jinbei; Wang, Yue","Phase- and Halogen-Dependent Room-Temperature Phosphorescence Properties of Biphenylnitrile Derivatives","The Journal of Physical Chemistry C","2021","125","49","27489","27496","10.1021/acs.jpcc.1c09305","","","0.71073","MoKα","","0.0678","0.0664","","","0.174","0.1752","","","","","","1.186","","","","has coordinates,has disorder","271781","2022-01-04","02:07:53",""
"1565901","14.0129","0.0005","21.0765","0.0008","15.0463","0.0006","90","","93.872","0.002","90","","4433.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H40 Cd2 N9 O9 -","- C51 H40 Cd2 N9 O9 -","- C204 H160 Cd8 N36 O36 -","4","1","","Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan","Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)","The Journal of Physical Chemistry C","2021","125","49","27230","27240","10.1021/acs.jpcc.1c08474","","","0.71073","MoKα","","0.0612","0.0447","","","0.1099","0.1202","","","","","","1.021","","","","has coordinates","271782","2022-01-04","02:08:29",""
"1565902","10.2597","0.0004","10.8766","0.0004","10.9289","0.0005","93.653","0.003","109.577","0.004","97.147","0.003","1132.87","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N2 O4 Zn -","- C18 H9 N2 O4 Zn -","- C36 H18 N4 O8 Zn2 -","2","1","","Sarkar, Anupam; Mistry, Subhradeep; Natarajan, Srinivasan","Friedländer, Knoevenagel, and Michael Reactions Employing the Same MOF: Synthesis, Structure, and Heterogeneous Catalytic Studies of ([Zn(1,4-NDCA)(3-BPDB)0.5]·(DMF)(MeOH) and [Cd4(1,4-NDCA)4(3-BPDB)4]·2(DMF)","The Journal of Physical Chemistry C","2021","125","49","27230","27240","10.1021/acs.jpcc.1c08474","","x-ray","0.71073","MoKα","","0.064","0.0618","","","0.1902","0.1924","","","","","","1.064","","","","has coordinates","271783","2022-01-04","02:09:02",""
"1565986","5.4839","0.0002","10.9453","0.0003","23.076","0.0006","90","","95.105","0.001","90","","1379.59","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Xylenediaminium bis(tetrafluoroborate) monohydrate","","","- C8 H16 B2 F8 N2 O -","- C8 H16 B2 F8 N2 O -","- C32 H64 B8 F32 N8 O4 -","4","1","","Haddaoui, Souhir; Ouerghi, Zeineb; Arfaoui, Youssef; Maris, Thierry; Kefi, Riadh","Structural characterization, dielectric properties, optical and theoretical DFT study of (C8H14N2)(BF4)2·H2O compound","Journal of the Iranian Chemical Society","2021","18","8","2065","2077","10.1007/s13738-021-02165-4","","x-ray","1.34139","GaKα","","0.0475","0.0469","","","0.117","0.1177","","","","","","1.096","","","","has coordinates,has Fobs","272063","2022-01-16","12:40:06",""
"1565991","5.13178534","","5.13178534","","5.13178534","","90","","90","","90","","135.147","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ca0.16 Zr0.86 O1.86","","- Ca0.16 O1.86 Zr0.86 -","- Ca0.16 O1.85 Zr0.84 -","- Ca0.64 O7.4 Zr3.36 -","4","0.0208333","","Kumar, Ankit; Kumar, Pravin; Dhaliwal, A. S.","Structural, morphological properties and phase stabilisation criteria of the calcia-zirconia system","Advances in Applied Ceramics","2021","120","5-8","307","318","10.1080/17436753.2021.1978266","","","","","","","","","","","","","","","","","","","","","has coordinates","272083","2022-01-17","11:12:35",""
"1566038","11.4728","0.0003","14.2115","0.0004","16.0992","0.0004","92.018","0.002","91.054","0.002","112.546","0.002","2421.34","0.12","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 Cu F6 N2 O1.5 P3 -","- C56 H45 Cu F6 N2 O1.5 P3 -","- C112 H90 Cu2 F12 N4 O3 P6 -","2","1","","Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine","Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline","Crystals","2021","11","2","185","","10.3390/cryst11020185","","x-ray","1.34143","GaKα","","0.0468","0.0457","","","0.1252","0.1269","","","","","","1.032","","","","has coordinates,has disorder","272128","2022-01-19","09:48:42",""
"1566039","8.9307","0.0004","28.9448","0.0012","16.2421","0.0007","90","","105.674","0.002","90","","4042.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PrL3(MeOH)2]","","","- C44 H32 F9 O8 Pr -","- C44 H32 F9 O8 Pr -","- C176 H128 F36 O32 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0533","0.0437","","","0.0829","0.0853","","","","","","1.243","","","","has coordinates","272129","2022-01-19","09:58:38",""
"1566040","11.9059","0.0004","15.3694","0.0005","16.5675","0.0006","79.097","0.002","70.308","0.002","67.575","0.002","2632.08","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PrL3(bipy)2]","","","- C62 H40 F9 N4 O6 Pr -","- C62 H40 F9 N4 O6 Pr -","- C124 H80 F18 N8 O12 Pr2 -","2","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0318","0.0276","","","0.0697","0.0728","","","","","","0.991","","","","has coordinates,has disorder","272129","2022-01-19","09:58:39",""
"1566041","13.2021","0.0005","14.6509","0.0006","24.8108","0.001","90","","98.938","0.002","90","","4740.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[PrL3(4,4'-dimethoxy-bipy]","","","- C54 H36 F9 N2 O8 Pr -","- C54 H36 F9 N2 O8 Pr -","- C216 H144 F36 N8 O32 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.029","0.026","","","0.0602","0.0622","","","","","","1.146","","","","has coordinates","272129","2022-01-19","09:58:39",""
"1566042","20.1848","0.0006","11.9034","0.0003","19.6102","0.0006","90","","90","","90","","4711.7","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PrL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 O6 Pr -","- C54 H36 F9 N2 O6 Pr -","- C216 H144 F36 N8 O24 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0329","0.0266","","","0.0509","0.0534","","","","","","1.029","","","","has coordinates","272129","2022-01-19","09:58:40",""
"1566043","6.9675","0.001","7.6046","0.0012","20.706","0.003","83.02","0.012","80.403","0.012","83.126","0.012","1068.2","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cl N O -","- C28 H20 Cl N O -","- C56 H40 Cl2 N2 O2 -","2","1","","Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian","CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect","Crystals","2021","11","5","530","","10.3390/cryst11050530","","x-ray","0.71073","MoKα","","0.1391","0.0704","","","0.1837","0.2068","","","","","","0.949","","","","has coordinates,has disorder","272130","2022-01-19","10:15:35",""
"1566044","10.1961","0.0016","10.854","0.0016","14.091","0.002","84.387","0.012","87.485","0.012","84.125","0.012","1542.9","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl7 N O -","- C30 H22 Cl7 N O -","- C60 H44 Cl14 N2 O2 -","2","1","","Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian","CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect","Crystals","2021","11","5","530","","10.3390/cryst11050530","","","0.71073","MoKα","","0.1272","0.0841","","","0.2234","0.2609","","","","","","1.067","","","","has coordinates","272130","2022-01-19","10:15:36",""
"1566066","7.26","0.0005","7.8108","0.0005","18.1459","0.0013","90","","96.937","0.001","90","","1021.46","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 S -","- C10 H10 N4 S -","- C40 H40 N16 S4 -","4","1","","Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.","Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies","Polyhedron","2021","207","","115390","","10.1016/j.poly.2021.115390","","","0.71073","MoKα","","0.0562","0.0408","","","0.1068","0.1164","","","","","","1.037","","","","has coordinates","272158","2022-01-20","10:54:06",""
"1566067","9.3193","0.0005","11.5459","0.0006","12.0528","0.0008","83.801","0.003","67.752","0.002","82.678","0.003","1188.02","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br2 Co N8 S2 -","- C20 H20 Br2 Co N8 S2 -","- C40 H40 Br4 Co2 N16 S4 -","2","1","","Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.","Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies","Polyhedron","2021","207","","115390","","10.1016/j.poly.2021.115390","","","0.71073","MoKα","","0.0444","0.0325","","","0.0633","0.0686","","","","","","1.069","","","","has coordinates","272158","2022-01-20","10:54:06",""
"1566068","9.1904","0.0003","11.3464","0.0004","12.1781","0.0004","83.817","0.002","68.057","0.001","81.985","0.002","1164.26","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N8 S2 -","- C20 H20 Cl2 Co N8 S2 -","- C40 H40 Cl4 Co2 N16 S4 -","2","1","","Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.","Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies","Polyhedron","2021","207","","115390","","10.1016/j.poly.2021.115390","","","0.71073","MoKα","","0.0376","0.0298","","","0.0865","0.0918","","","","","","0.996","","","","has coordinates","272158","2022-01-20","10:54:06",""
"1566164","8.9001","0.0004","14.5614","0.0007","17.2157","0.0008","90","","90","","90","","2231.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{2-[(2R)-1-Methylpyrrolidin-2-yl]-(1R)-ferrocenyl diphenylphosphine}","","- C27 H28 Fe N P -","- C27 H28 Fe N P -","- C108 H112 Fe4 N4 P4 -","4","1","","Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.","The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution","Tetrahedron","2021","90","","132088","","10.1016/j.tet.2021.132088","","","0.71073","MoKα","","0.0597","0.0431","","","0.0884","0.0934","","","","","","1.054","","","","has coordinates","272270","2022-01-27","08:23:54",""
"1566165","7.2344","0.0001","17.3214","0.0003","22.1734","0.0005","90","","98.564","0.001","90","","2747.57","0.09","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[(2R)-1-methylpyrrolidin-2-yl]- (3S)-trimethylsilyl-(1R)-ferrocenyldiphenylphosphine","","- C30 H36 Fe N P Si -","- C30 H36 Fe N P Si -","- C120 H144 Fe4 N4 P4 Si4 -","4","2","","Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.","The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution","Tetrahedron","2021","90","","132088","","10.1016/j.tet.2021.132088","","","0.71073","MoKα","","0.139","0.0791","","","0.1276","0.1506","","","","","","1.031","","","","has coordinates","272270","2022-01-27","08:24:00",""
"1566176","18.303","0.016","18.303","0.016","24.5","0.02","90","","90","","120","","7108","11","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H30 N3 O46 P W12 -","- C12 H30 N3 O46 P W12 -","- C72 H180 N18 O276 P6 W72 -","6","0.333333","","Svensson, Fredric G.; Simon, Philipp; Kessler, Vadim G.","Modeling metal oxide nanoparticle GABA interactions: Complexation between the Keggin POM and γ-aminobutyric acid in the solid state and in solution influenced by additional ligands","Inorganica Chimica Acta","2021","526","","120547","","10.1016/j.ica.2021.120547","","","0.71073","MoKα","","0.1305","0.0812","","","0.2178","0.2418","","","","","","1.005","","","","has coordinates","272289","2022-01-27","10:41:57",""
"1566177","12.20595","0.00012","13.30987","0.00016","15.93445","0.00016","110.73","0.001","98.5246","0.0009","110.735","0.001","2150.71","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H122 Ce4 Fe4 N10 O33 -","- C59 H122 Ce4 Fe4 N10 O33 -","- C59 H122 Ce4 Fe4 N10 O33 -","1","0.5","","Baca, Svetlana G.; Amombo Noa, Francoise M.; Öhrström, Lars","Octanuclear heterometallic FeIII-CeIV pivalate clusters: From a close {Fe4Ce4(μ4-O)4} cage to an open {Fe4Ce4(μ4-O)2(μ3-O)2} core","Inorganica Chimica Acta","2021","515","","120038","","10.1016/j.ica.2020.120038","","","1.54178","CuKα","","0.0331","0.0305","","","0.0812","0.0827","","","","","","1.046","","","","has coordinates,has disorder","272290","2022-01-27","10:46:54",""
"1566178","26.2664","0.0012","12.1527","0.0006","14.214","0.0007","90","","114.85","0.001","90","","4117.1","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C49 H104 Ce4 Fe4 N16 O29 -","- C49 H103 Ce4 Fe4 N16 O29 -","- C98 H206 Ce8 Fe8 N32 O58 -","2","0.5","","Baca, Svetlana G.; Amombo Noa, Francoise M.; Öhrström, Lars","Octanuclear heterometallic FeIII-CeIV pivalate clusters: From a close {Fe4Ce4(μ4-O)4} cage to an open {Fe4Ce4(μ4-O)2(μ3-O)2} core","Inorganica Chimica Acta","2021","515","","120038","","10.1016/j.ica.2020.120038","","","0.71073","MoKα","","0.0367","0.0292","","","0.0609","0.0632","","","","","","1.022","","","","has coordinates,has disorder","272291","2022-01-27","10:48:43",""
"1566179","20.7188","0.0003","7.8619","0.0001","19.965","0.0003","90","","105.365","0.001","90","","3135.84","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Br F3 N2 O0.5 -","- C14 H17 Br F3 N2 O0.5 -","- C112 H136 Br8 F24 N16 O4 -","8","2","","Esarte Palomero, Orhi; Cunningham, Ashley L.; Davies, Bryan W.; Jones, Richard A.","Antibacterial thiamine inspired silver (I) and gold (I) N-heterocyclic carbene compounds","Inorganica Chimica Acta","2021","517","","120152","","10.1016/j.ica.2020.120152","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0719","0.0725","","","","","","1.071","","","","has coordinates,has disorder","275434","2022-05-16","05:31:59",""
"1566180","14.0208","0.0007","20.0032","0.0006","17.0841","0.0007","90","","110.991","0.005","90","","4473.4","0.4","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 N2 O4 P4 -","- C44 H68 N2 O4 P4 -","- C176 H272 N8 O16 P16 -","4","1","","Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg","Anionic 1-Aza-3,4-diphospholides as redox active ligands","Inorganica Chimica Acta","2021","520","","120274","","10.1016/j.ica.2021.120274","","x-ray","0.71073","MoKα","K-L~3~","0.1684","0.0941","","","0.2326","0.2863","","","","","","1.048","","","","has coordinates,has disorder","272293","2022-01-27","11:01:56",""
"1566181","13.1651","0.0006","8.7775","0.0004","31.4231","0.0017","90","","91.15","0.005","90","","3630.4","0.3","109.96","0.13","109.96","0.13","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 N2 O2 P4 -","- C36 H52 N2 O2 P4 -","- C144 H208 N8 O8 P16 -","4","1","","Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg","Anionic 1-Aza-3,4-diphospholides as redox active ligands","Inorganica Chimica Acta","2021","520","","120274","","10.1016/j.ica.2021.120274","","x-ray","0.71073","MoKα","","0.1184","0.0878","","","0.1262","0.1357","","","","","","1.226","","","","has coordinates","272294","2022-01-27","11:02:13",""
"1566182","15.6308","0.0006","9.4136","0.0004","16.6999","0.0006","90","","94.651","0.003","90","","2449.17","0.17","106.67","0.15","106.67","0.15","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Fe N O3 P2 -","- C25 H31 Fe N O3 P2 -","- C100 H124 Fe4 N4 O12 P8 -","4","1","","Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg","Anionic 1-Aza-3,4-diphospholides as redox active ligands","Inorganica Chimica Acta","2021","520","","120274","","10.1016/j.ica.2021.120274","","x-ray","0.71073","MoKα","","0.0544","0.0419","","","0.0887","0.0939","","","","","","1.057","","","","has coordinates","272295","2022-01-27","11:02:25",""
"1566183","15.9732","0.0009","9.7552","0.0004","16.3655","0.0009","90","","116.026","0.007","90","","2291.5","0.2","108.9","0.3","108.9","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Fe2 N2 O4 P4 -","- C48 H62 Fe2 N2 O4 P4 -","- C96 H124 Fe4 N4 O8 P8 -","2","0.5","","Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg","Anionic 1-Aza-3,4-diphospholides as redox active ligands","Inorganica Chimica Acta","2021","520","","120274","","10.1016/j.ica.2021.120274","","x-ray","0.71073","MoKα","","0.0999","0.0641","","","0.1057","0.1188","","","","","","1.057","","","","has coordinates","272296","2022-01-27","11:02:36",""
"1566184","15.8927","0.0004","24.8383","0.0005","13.7936","0.0005","90","","98.503","0.003","90","","5385.1","0.3","106.11","0.1","106.11","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H73 Fe2 N2 O5 P4 -","- C55 H73 Fe2 N2 O5 P4 -","- C220 H292 Fe8 N8 O20 P16 -","4","1","","Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg","Anionic 1-Aza-3,4-diphospholides as redox active ligands","Inorganica Chimica Acta","2021","520","","120274","","10.1016/j.ica.2021.120274","","x-ray","0.71073","MoKα","K-L~3~","0.0943","0.0704","","","0.1675","0.1813","","","","","","1.05","","","","has coordinates,has disorder","272297","2022-01-27","11:02:50",""
"1566185","10.9061","0.0003","14.4034","0.0003","18.4848","0.0005","103.711","0.0019","91.106","0.002","112.185","0.002","2592.93","0.12","106.8","0.4","106.8","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C46 H62 Fe2 N2 O9 P4 -","- C46 H62 Fe2 N2 O9 P4 -","- C92 H124 Fe4 N4 O18 P8 -","2","1","","Suter, Riccardo; Gilliard, Robert J.; Iskandarov, Javad; Benkő, Zoltan; Wörle, Michael; Grützmacher, Hansjörg","Anionic 1-Aza-3,4-diphospholides as redox active ligands","Inorganica Chimica Acta","2021","520","","120274","","10.1016/j.ica.2021.120274","","x-ray","0.71073","MoKα","K-L~3~","0.0738","0.0483","","","0.1083","0.1199","","","","","","1.022","","","","has coordinates,has disorder","272298","2022-01-27","11:03:59",""
"1566186","15.3728","0.0007","17.2974","0.0007","12.1482","0.0005","90","","90.048","0.001","90","","3230.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 F3 N2 O5 V -","- C33 H44 F3 N2 O5 V -","- C132 H176 F12 N8 O20 V4 -","4","1","","Suresh, Lakshmi; Finnstad, Jone; Törnroos, Karl W.; Le Roux, Erwan","Bis(phenolate)-functionalized N-heterocyclic carbene complexes of oxo- and imido-vanadium(V)","Inorganica Chimica Acta","2021","521","","120301","","10.1016/j.ica.2021.120301","","","0.71073","MoKα","","0.0686","0.051","","","0.1295","0.1384","","","","","","1.044","","","","has coordinates,has disorder","272299","2022-01-27","11:09:51",""
"1566187","15.6163","0.0002","27.5787","0.0001","20.3189","0.0002","90","","110.231","0.001","90","","8211.01","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H88 N4 O7 V2 -","- C62 H88 N4 O7 V2 -","- C248 H352 N16 O28 V8 -","4","1","","Suresh, Lakshmi; Finnstad, Jone; Törnroos, Karl W.; Le Roux, Erwan","Bis(phenolate)-functionalized N-heterocyclic carbene complexes of oxo- and imido-vanadium(V)","Inorganica Chimica Acta","2021","521","","120301","","10.1016/j.ica.2021.120301","","","0.82495","synchrotron","","0.0632","0.0588","","","0.178","0.1829","","","","","","1.059","","","","has coordinates,has disorder","272300","2022-01-27","11:10:07",""
"1566190","15.658","0.003","15.658","0.003","27.166","0.006","90","","90","","120","","5768","2","298","2","298","2","9130000","","","","","","","7","R 3 c :H","R 3 -2""c","161","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.62 Li9 Na1.25 O162 Si54 -","- Al18 Be18 Cs6.621 Li9 Na1.245 O162 Si54 -","- Al36 Be36 Cs13.242 Li18 Na2.49 O324 Si108 -","2","0.111111","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0575","0.0354","","","0.0906","0.1001","","","","","","1.073","","","","has coordinates","272352","2022-01-31","09:21:11",""
"1566191","15.948","0.008","15.948","0.008","27.81","0.02","90","","90","","120","","6126","6","298","2","298","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","","- Al18 Be18 Cs6.45 Li9 Na1.2 O162 Si54 -","- Al18 Be18 Cs6.453 Li9 Na1.203 O162 Si54 -","- Al36 Be36 Cs12.906 Li18 Na2.406 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0313","0.028","","","0.0815","0.0837","","","","","","1.115","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566192","15.943","0.009","15.943","0.009","27.81","0.03","90","","90","","120","","6122","8","173","1","173","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.57 Li9 Na1.22 O162 Si54 -","- Al18 Be18 Cs6.5718 Li9 Na1.221 O162 Si54 -","- Al36 Be36 Cs13.1436 Li18 Na2.442 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0429","0.0273","","","0.0613","0.0668","","","","","","1.046","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566193","15.954","0.008","15.954","0.008","27.83","0.02","90","","90","","120","","6135","6","473","1","473","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.56 Li9 Na1.12 O162 Si54 -","- Al18 Be18 Cs6.5646 Li9 Na1.119 O162 Si54 -","- Al36 Be36 Cs13.1292 Li18 Na2.238 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0307","0.0254","","","0.0774","0.0804","","","","","","1.066","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566194","15.95","0.008","15.95","0.008","27.82","0.02","90","","90","","120","","6129","6","373","1","373","1","","","","","","","","7","R -3 c :H","-R 3 2""c","167","raspberry beryl","pezzottaite","pezzottaite","- Al18 Be18 Cs6.6 Li9 Na1.15 O162 Si54 -","- Al18 Be18 Cs6.5952 Li9 Na1.149 O162 Si54 -","- Al36 Be36 Cs13.1904 Li18 Na2.298 O324 Si108 -","2","0.0555556","","Ende, Martin; Gatta, G. Diego; Lotti, Paolo; Grandtner, Alexander; Miletich, Ronald","Cs(Be2Li)Al2Si6O18, a cesium-stuffed host-guest structure, and its structure-property variations with temperature and pressure","Journal of Solid State Chemistry","2021","293","","121841","","10.1016/j.jssc.2020.121841","","","0.71073","MoKα","","0.0467","0.0299","","","0.0708","0.0775","","","","","","1.054","","","","has coordinates,has disorder","272352","2022-01-31","09:21:12",""
"1566195","6.6525","0.0005","6.6525","0.0005","37.998","0.005","90","","90","","120","","1456.3","0.2","296","2","296","2","","","","","","","Mount Egerton meteorite","4","R -3 c :H","-R 3 2""c","167","","","Perryite","- Fe1.88 Ni14.14 P Si5 -","- Fe1.866 Ni14.134 P Si5 -","- Fe11.196 Ni84.804 P6 Si30 -","6","0.166667","","Sergey N. Britvin; Sergey V. Krivovichev; Oleg S. Vereshchagin; Natalia S. Vlasenko; Vladimir V. Shilovskikh; Maria G. Krzhizhanovskaya; Maksim S. Lozhkin; Edita V. Obolonskaya; Yulia O. Kopylova","Perryite, (Ni,Fe)16PSi5, from the Mount Egerton aubrite: the first natural P-Si-ordered phosphide-silicide","Journal of GeoSciences","2021","66","","189","198","10.3190/jgeosci.331","","x-ray","0.71073","MoKα","","0.0137","0.0128","","","0.0296","0.0303","","","","","","1.058","","","","has coordinates","272353","2022-01-31","16:11:38",""
"1566208","10.6773","0.0001","10.6773","0.0001","10.6773","0.0001","90","","90","","90","","1217.26","0.02","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Ag3 Pd33.515 Se30 -","- Ag3 Pd33.515 Se30 -","- Ag3 Pd33.515 Se30 -","1","0.0208333","","Frantisek Laufek; Anna Vymazalova; Marek Tuhy","Ag, Cu, Hg, Pt, Sb and Te substitutions in the synthetic analogue of palladseite, Pd17Se15: an experimental mineralogical study","Journal of GeoSciences","2021","66","","205","213","10.3190/jgeosci.333","","","","","","","","","","","","","","","","","","","","","has coordinates","272365","2022-02-01","08:09:09",""
"1566209","10.6317","0.0001","10.6317","0.0001","10.6317","0.0001","90","","90","","90","","1201.73","0.02","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Cu2.803 Pd33.456 Se30 -","- Cu2.802 Pd33.456 Se30 -","- Cu2.802 Pd33.456 Se30 -","1","0.0208333","","Frantisek Laufek; Anna Vymazalova; Marek Tuhy","Ag, Cu, Hg, Pt, Sb and Te substitutions in the synthetic analogue of palladseite, Pd17Se15: an experimental mineralogical study","Journal of GeoSciences","2021","66","","205","213","10.3190/jgeosci.333","","","","","","","","","","","","","","","","","","","","","has coordinates","272365","2022-02-01","08:09:09",""
"1566210","10.6587","0.0001","10.6587","0.0001","10.6587","0.0001","90","","90","","90","","1210.91","0.02","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Hg3 Pd33 Se30 -","- H3 Hg3 Pd33 Se30 -","- H3 Hg3 Pd33 Se30 -","1","0.0208333","","Frantisek Laufek; Anna Vymazalova; Marek Tuhy","Ag, Cu, Hg, Pt, Sb and Te substitutions in the synthetic analogue of palladseite, Pd17Se15: an experimental mineralogical study","Journal of GeoSciences","2021","66","","205","213","10.3190/jgeosci.333","","","","","","","","","","","","","","","","","","","","","has coordinates","272365","2022-02-01","08:09:09",""
"1566211","10.6264","0.0001","10.6264","0.0001","10.6264","0.0001","90","","90","","90","","1199.94","0.02","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Pd30.989 Pt3.551 Se30 -","- Pd30.988 Pt3.552 Se30 -","- Pd30.988 Pt3.552 Se30 -","1","0.0208333","","Frantisek Laufek; Anna Vymazalova; Marek Tuhy","Ag, Cu, Hg, Pt, Sb and Te substitutions in the synthetic analogue of palladseite, Pd17Se15: an experimental mineralogical study","Journal of GeoSciences","2021","66","","205","213","10.3190/jgeosci.333","","","","","","","","","","","","","","","","","","","","","has coordinates","272365","2022-02-01","08:09:09",""
"1566212","10.668","0.0001","10.668","0.0001","10.668","0.0001","90","","90","","90","","1214.08","0.02","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- Pd34 Se27 Te3 -","- Pd34 Se27 Te3 -","- Pd34 Se27 Te3 -","1","0.0208333","","Frantisek Laufek; Anna Vymazalova; Marek Tuhy","Ag, Cu, Hg, Pt, Sb and Te substitutions in the synthetic analogue of palladseite, Pd17Se15: an experimental mineralogical study","Journal of GeoSciences","2021","66","","205","213","10.3190/jgeosci.333","","","","","","","","","","","","","","","","","","","","","has coordinates","272365","2022-02-01","08:09:09",""
"1566213","13.5394","0.001","4.0992","0.0003","25.506","0.003","90","","95.597","0.008","90","","1408.9","0.2","284","18","284","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- Ag2.8 Bi9.9 Pb11.8 S30 Sb1.3 -","- Ag2.848 Bi9.524 Pb12.352 S30 Sb1.276 -","- Ag2.848 Bi9.524 Pb12.352 S30 Sb1.276 -","1","0.125","","Pažout, Richard; Dušek, Michal","Crystal structure of undersubstituted Sb-rich vikingite Vik40, Ag2.85Pb12.35(Bi9.52Sb1.27)(S=10.80)S30: site population and comparison with structure of vikingite Vik50, Ag3.5Pb11.0Bi11.5S30","Journal of Geosciences","2021","66","","175","184","10.3190/jgeosci.329","","x-ray","0.71073","MoKα","","0.1282","0.086","","","0.0783","0.0873","","","","2.34","2.34","2.09","","","","has coordinates","274765","2022-04-29","12:09:49",""
"1566214","15.328","0.0015","7.662","0.007","16.633","0.0014","90","","90","","90","","1953.4","1.8","293","","293","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- As2 Mn S5 Tl2 -","- As2 Mn S5 Tl2 -","- As16 Mn8 S40 Tl16 -","8","0.5","","Anatoly V. Kasatkin; Jakub Plasil; Emil Makovicky; Nikita V. Chukanov; Radek Skoda; Atali A. Agakhanov; Sergey Y. Stepanov; Roman S. Palamarchuk","Auerbakhite, MnTl2As2S5, a new thallium sulfosalt from the Vorontsovskoe gold deposit, Northern Urals, Russia","Journal of GeoSciences","2021","66","","89","96","10.3190/jgeosci.321","","x-ray","0.71073","MoKα","","0.2931","0.0723","","","0.1535","0.247","","","","1.43","1.43","1.18","","","","has coordinates","272367","2022-02-01","08:30:11",""
"1566215","15.2525","","17.5922","","10.2747","","90","","103.424","","90","","2681.64","","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- As6 Cu6 H18 O32.216 -","- As6 Cu6 H18 O32.21 -","- As24 Cu24 H72 O128.84 -","4","1","","Gwladys Steciuk; Jiri Sejkora; Jiri Cejka; Jakub Plasil; Jan Hlousek","Krupickaite, Cu6[AsO3(OH)]6 . 8H2O, a new copper arsenate mineral from Jachymov (Czech Republic)","Journal of GeoSciences","2021","66","","37","50","10.3190/jgeosci.318","","electron","0.0251","electron","","0.5338","0.1307","","","0.118","0.1727","","","","0","0","1.81","","","","has coordinates","272368","2022-02-01","08:38:17",""
"1566342","4.63309","0.00009","5.4839","0.0001","18.51","0.0004","90","","90","","90","","470.291","0.016","","","298","","","","100","","","","","6","P 2 c m","P -2c 2","28","Ca2(Al0.88,Fe0.12)(AlSi3O10(OH)2","","prehnite","- Al1.88 Ca2 Fe0.12 H2 O12 Si3 -","- Al1.888 Ca2 Fe0.112 H2 O12 Si3 -","- Al3.776 Ca4 Fe0.224 H4 O24 Si6 -","2","0.5","","Sugiyama, K.; Kawamata, T.; Kuribayashi, T.","Structure refinement of prehnite from Passaic County, New Jersey, USA","Journal of Mineralogical and Petrological Sciences","2021","116","","272","276","10.2465/jmps.210318","","","","","","","","","","","","","","","","","","","","","has coordinates","272927","2022-02-11","11:15:01",""
"1566343","8.368","0.002","10.724","0.003","5.1121","0.0013","90","","90","","90","","458.8","0.2","","","298","","","","100","","","","","4","I m m 2","I 2 -2","44","Zn4[Si2O7](OH)2H2O","","hemimorphite","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.25","","Okamoto, K.; Kuribayashi, T.; Nagase, T.","Modulated structure of hemimorphite associated with pressure-induced phase transition","Journal of Mineralogical and Petrological Sciences","2021","116","","251","262","10.2465/jmps.210731","","","","","","","","","","","","","","","","","","","","","has coordinates","272928","2022-02-11","11:15:51",""
"1566344","8.1577","0.0019","10.642","0.006","5.0473","0.001","90","","90","","90","","438.2","0.3","","","298","","","","3010000","","","","","4","P n n 2","P 2 -2n","34","Zn4[Si2O7](OH)2H2O","","hemimorphite at 3.01 GPa","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Okamoto, K.; Kuribayashi, T.; Nagase, T.","Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.01 GPa","Journal of Mineralogical and Petrological Sciences","2021","116","","251","262","10.2465/jmps.210731","","","","","","","","","","","","","","","","","","","","","has coordinates","272929","2022-02-11","11:18:45",""
"1566345","8.0987","0.0011","10.549","0.004","5.0288","0.0005","90","","90","","90","","429.63","0.18","","","298","","","","3720000","","","","","4","P n n 2","P 2 -2n","34","Zn4[Si2O7](OH)2H2O","","hemimorphite at 3.72 GPa","- H4 O10 Si2 Zn4 -","- O10 Si2 Zn4 -","- O20 Si4 Zn8 -","2","0.5","","Okamoto, K.; Kuribayashi, T.; Nagase, T.","Modulated structure of hemimorphite associated with pressure-induced phase transition : at 3.72 GPa","Journal of Mineralogical and Petrological Sciences","2021","116","","251","262","10.2465/jmps.210731","","","","","","","","","","","","","","","","","","","","","has coordinates","272930","2022-02-11","11:19:43",""
"1566653","8.61942","0.00007","8.61942","","5.59301","0.00008","90","","90","","90","","415.529","0.007","","","","","","","","","","","","2","P -4","P -4","81","Ice XIX","","","- D2 O -","- D1.9992 O -","- D39.984 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273847","2022-03-20","11:55:53",""
"1566654","8.6278","0.0004","8.6114","0.0004","5.59299","0.00008","90","","90","","90","","415.54","0.03","","","","","","","","","","","","2","P c c 2","P 2 -2c","27","Ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Yamane, R.; Komatsu, K.; Gouchi, J.; Uwatoko, Y.; Machida, S.; Hattori, T.; Ito, H.; Kagi, H.","Experimental evidence for the existence of a second partially-ordered phase of ice VI","Nature Communications","2021","12","","1129","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273848","2022-03-20","11:56:48",""
"1566655","8.834721","0.000033","8.834721","0.000033","5.75542","0.00005","90","","90","","90","","449.224","0.005","","","","","","","","","","","","2","P -4","P -4","81","ice XIX","","","- D2 O -","- D2 O -","- D40 O20 -","20","5","","Gasser, T. M.; Thoeny, A. V.; Fortes, A. D.; Loerting, T.","Structural characterization of ice XIX as the second polymorph related to ice VI","Nature Communications","2021","12","","1128","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273851","2022-03-21","00:29:09",""
"1566656","8.3966","0.0003","5.4546","0.0001","8.3737","0.0003","90","","90","","90","","383.52","0.02","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","","","- D2 O -","- D2 O -","- D40 O20 -","20","2.5","","Salzmann, C. G.; Loveday, J. S.; Rosu-Finsen, A.; Bull, C. L.","Structure and nature of ice XIX","Nature Communications","2021","12","","3162","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273852","2022-03-21","01:01:58",""
"1566717","2.54579","0.00002","2.54579","0.00002","4.1282","0.0005","90","","90","","120","","23.171","0.003","","","800","","","","14700000","","","","","3","P 63/m m c","-P 6c 2c","194","iron silicon alloy","","","- D0.24 Fe0.95 Si0.05 -","- D0.24 Fe0.95 Si0.05 -","- D0.48 Fe1.9 Si0.1 -","2","0.0833333","","Mori, Y.; Kagi, H.; Kakizawa, S.; Komatsu, K.; Shito, C.; Iizuka-Oku, R.; Aoki, K.; Hattori, T.; Sano-Furukawa, A.; Funakoshi, K.; Saitoh, H.","Neutron diffraction study of hydrogen site occupancy in Fe0.95Si0.05 at 14.7 GPa and 800 K","Journal of Mineralogical and Petrological Sciences","2021","1136","","309","313","10.2465/jmps.210825","","","","","","","","","","","","","","","","","","","","","has coordinates","274027","2022-03-28","07:50:42",""
"1567214","4.109664","","4.109664","","4.109664","","90","","90","","90","","69.41","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- Ba Co0.4 Fe0.4 O2.426 Zr0.2 -","- Ba Co0.4 Fe0.4 O2.427 Zr0.2 -","- Ba Co0.4 Fe0.4 O2.427 Zr0.2 -","1","0.0208333","","Antonis Vamvakeros, Dorota Matras, Simon D.M. Jacques, Marco di Michiel, Vesna Middelkoop, Peixi Cong, Stephen W.T. Price, Craig L. Bull, Pierre Senecal, Andrew M. Beale","Real-time tomographic diffraction imaging of catalytic membrane reactors for the oxidative coupling of methane","Catalysis Today","2021","364","","242","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","276503","2022-07-03","13:40:51",""
"1567215","4.73523","","5.74138","","4.99198","","90","","90.0801","","90","","135.716","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Fe O4 W -","- Fe O4 W -","- Fe2 O8 W2 -","2","0.5","","Patil, Amitkumar R.; Dongale, Tukaram D.; Kamat, Rajanish K.; Rajpure, Keshav Y.","Spray pyrolysis deposited iron tungstate memristive device for artificial synapse application","Materials Today Communications","2021","29","","102900","","10.1016/j.mtcomm.2021.102900","","","","","","","","","","","","","","","","","","","","","has coordinates","276519","2022-07-04","08:11:29",""
"1567272","9.19256","0.0001","7.52147","0.00011","10.31017","0.00011","90","","109.317","0.0009","90","","672.728","0.015","","","","","","","","","","","","2","A 1 2/a 1","-A 2ya","15","ice V","","","- D2 O -","- D2.01029 O -","- D56.288 O28 -","28","3.5","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276772","2022-07-16","05:54:21",""
"1567273","9.24033","0.00013","7.46235","0.00011","10.29166","0.00013","90","","109.768","0.001","90","","667.839","0.017","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","ice XIII","","","- D2 O -","- D2 O -","- D56 O28 -","28","7","","Salzmann, C. G.; Rosu-Finsen, A.; Sharif, Z.; Radaelli, P.G.; Finney, J. L.","Detailed crystallographic analysis of the ice V to ice XIII hydrogen-ordering phase transition","The Journal of Chemical Physics","2021","154","","134504","","","","","","","","","","","","","","","","","","","","","","","has coordinates","276773","2022-07-16","05:55:25",""
"1568400","12.6048","0.0004","9.0445","0.0003","13.8167","0.0005","90","","109.575","0.002","90","","1484.12","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl2 N3 O Pd S -","- C11 H17 Cl2 N3 O Pd S -","- C44 H68 Cl8 N12 O4 Pd4 S4 -","4","1","","Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos","Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand","Pharmaceuticals","2021","14","","395","","10.3390/ph14050395","","","0.71073","MoKα","","0.0376","0.0273","","","0.0513","0.0545","","","","","","1.021","","","","has coordinates","280920","2023-02-15","12:11:32",""
"1568401","12.6205","0.0004","9.0616","0.0002","13.8145","0.0004","90","","109.54","0.002","90","","1488.87","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl2 N3 O Pt S -","- C11 H17 Cl2 N3 O Pt S -","- C44 H68 Cl8 N12 O4 Pt4 S4 -","4","1","","Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos","Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand","Pharmaceuticals","2021","14","","395","","10.3390/ph14050395","","","0.71073","MoKα","","0.0494","0.0302","","","0.0443","0.0482","","","","","","0.993","","","","has coordinates","280921","2023-02-15","12:11:45",""
"1568402","6.968","","9.577","","9.593","","96","","97.83","","101.18","","616.489","","100","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl N3 O2 S -","- C9 H16 Cl N3 O2 S -","- C18 H32 Cl2 N6 O4 S2 -","2","1","","Silvia Gutiérrez-Tarriño; Javier Espino; Francisco Luna-Giles; Ana B. Rodríguez; Jos'e A. Pariente; Emilio Viñuelas-Zahínos","Synthesis, Characterization and Antiproliferative Evaluation of Pt(II) and Pd(II) Complexes with a Thiazine-Pyridine Derivative Ligand","Pharmaceuticals","2021","14","","395","","10.3390/ph14050395","","","0.71073","MoKα","","0.0502","0.0422","","","0.1246","0.1295","","","","","","1.052","","","","has coordinates,has disorder","280922","2023-02-15","12:11:53",""
"1571588","10.08","0.001","79.383","0.008","10.604","0.001","90","","90","","90","","8485.1","1.4","","","298","","","","100","","","","","4","F d d 2","F 2 -2d","43","Na2Si20O40(OH)2*8H2O","","kenyaite","- H18 Na2 O50 Si20 -","- Na2 O52 Si20 -","- Na16 O416 Si160 -","8","0.5","","Marler, B.; Grosskreuz, I.; Gies, H.","The crystal structure of synthetic kenyaite, Na2Si20O40(OH)2*8H2O","Journal of Solid State Chemistry","2021","","","1","12","10.1016/j.jssc.2021.122215","","","","","","","","","","","","","","","","","","","","","has coordinates","291776","2024-05-08","22:09:14",""
"2022286","6.241","0.0007","7.242","0.0008","16.709","0.002","84.408","0.009","89.142","0.009","65.933","0.008","686.02","0.14","125","","125","","","","","","","","","6","P -1","-P 1","2","1-Benzoyl-3-<i>o</i>-iodophenylthiourea","1-Benzoyl-3-(2-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C28 H22 I2 N4 O2 S2 -","2","1","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","","0.71073","MoKα","","0.0284","0.0276","","","0.0715","0.0721","","","","","","1.068","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022287","4.5639","0.0005","15.375","0.003","19.355","0.002","90","","91.404","0.009","90","","1357.7","0.3","125","","125","","","","","","","","","6","P 1 c 1","P -2yc","7","1-Benzoyl-3-<i>m</i>-iodophenylthiourea","1-Benzoyl-3-(3-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C56 H44 I4 N8 O4 S4 -","4","2","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0583","0.0536","","","0.1381","0.1476","","","","","","1.07","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022288","4.4279","0.0005","13.0767","0.0014","13.441","0.0014","61.622","0.007","86.203","0.009","85.241","0.009","682.06","0.14","120","2","120","","","","","","","","","6","P -1","-P 1","2","1-Benzoyl-3-<i>p</i>-iodophenylthiourea","1-Benzoyl-3-(4-iodophenyl)thiourea","","- C14 H11 I N2 O S -","- C14 H11 I N2 O S -","- C28 H22 I2 N4 O2 S2 -","2","1","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","","0.71073","MoKα","","0.0234","0.0209","","","0.0532","0.0542","","","","","","1.045","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022289","3.9592","0.0004","15.142","0.002","22.25","0.002","90","","95.183","0.008","90","","1328.4","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1-Benzoyl-3-<i>o</i>-bromophenylthiourea","1-Benzoyl-3-(2-bromophenyl)thiourea","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","1","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0626","0.0492","","","0.127","0.145","","","","","","1.069","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022290","4.6404","0.0007","15.017","0.002","19.074","0.003","90","","91.052","0.012","90","","1328.9","0.3","125","","125","","","","","","","","","6","P 1 c 1","P -2yc","7","1-Benzoyl-3-<i>m</i>-bromophenylthiourea","1-Benzoyl-3-(3-bromophenyl)thiourea","","- C14 H11 Br N2 O S -","- C14 H11 Br N2 O S -","- C56 H44 Br4 N8 O4 S4 -","4","2","WP3011","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","The influence of the type of halogen substituent and its position on the molecular conformation, intermolecular interactions and crystal packing for a series of 1-benzoyl-3-(halogenophenyl)thioureas","Acta Crystallographica Section C","2021","77","1","11","19","10.1107/S2053229620015594","","x-ray","0.71073","MoKα","","0.0761","0.0656","","","0.1674","0.1832","","","","","","1.021","","","","has coordinates,has Fobs","261799","2021-02-05","14:53:26",""
"2022291","6.4618","0.0001","6.4618","0.0001","7.7333","0.0002","90","","90","","90","","322.903","0.011","296","2","296","2","","","","","","","","4","I -4 2 m","I -4 2","121","lithium lead silicon sulfide","Dilithium lead silicon tetrasulfide","","- Li2 Pb S4 Si -","- Li2 Pb S4 Si -","- Li4 Pb2 S8 Si2 -","2","0.125","KU3266","Stoyko, Stanislav S.; Craig, Andrew J.; Kotchey, Joshua W.; Aitken, Jennifer A.","Synthesis, crystal structure, and electronic structure of Li~2~PbSiS~4~: a quaternary thiosilicate with a compressed chalcopyrite-like structure","Acta Crystallographica Section C","2021","77","1","1","10","10.1107/S2053229620015338","","","0.71073","MoKα","","0.0157","0.0155","","","0.0278","0.0278","","","","","","1.011","","","","has coordinates,has Fobs","261800","2021-02-05","14:53:37",""
"2022292","4.4041","0.0004","27.8787","0.0018","9.3533","0.0008","90","","100.816","0.007","90","","1128","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","QF3045","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.","Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2021","77","1","20","28","10.1107/S2053229620015508","","","0.71073","MoKα","","0.0912","0.0635","","","0.1568","0.1956","","","","","","1.042","","","","has coordinates,has Fobs","261802","2021-02-05","14:54:07",""
"2022293","12.2191","0.0013","8.1593","0.0009","22.788","0.002","90","","90","","90","","2271.9","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C96 H88 N40 O8 -","8","1","QF3045","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Svitlana S.; Nikolaeva, Lyudmila L.; Bunyatyan, Natalya D.; Kovalenko, Sergiy M.","Conformational polymorphs of 3-cyclopropyl-5-(3-methyl-[1,2,4]triazolo[4,3-<i>a</i>]pyridin-7-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2021","77","1","20","28","10.1107/S2053229620015508","","","0.71073","MoKα","","0.085","0.0539","","","0.1326","0.1583","","","","","","1.046","","","","has coordinates,has Fobs","261802","2021-02-05","14:54:11",""
"2022294","8.7897","0.0002","14.8937","0.0003","11.1294","0.0002","90","","101.742","0.002","90","","1426.47","0.05","100","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Bromourotropinium bromide","1-(5-Bromopentyl)-3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7^]decane bromide","","- C11 H22 Br2 N4 -","- C11 H22 Br2 N4 -","- C44 H88 Br8 N16 -","4","1","HB7951","Mulrooney, David Z. T.; Müller-Bunz, Helge; Keene, Tony D.","Crystal structure and halogen‒hydrogen bonding of a Delépine reaction intermediate","Acta Crystallographica Section E Crystallographic Communications","2021","77","1","1","4","10.1107/S2056989020015601","","","1.54184","CuKα","","0.031","0.0254","","","0.0593","0.0625","","","","","","1.038","","","","has coordinates,has Fobs","259555","2020-12-05","05:32:58",""
"2022297","3.9876","0.0005","10.6511","0.0013","25.107","0.002","90","","90","","90","","1066.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C44 H40 N8 O8 S4 -","4","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.0708","0.0551","","","0.1409","0.1609","","","","","","1.075","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022298","6.921","0.0009","7.2371","0.0017","42.396","0.008","90","","90","","90","","2123.5","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C88 H80 N16 O16 S8 -","8","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.09","0.0561","","","0.1291","0.146","","","","","","1.044","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022299","43.803","0.004","4.6835","0.0005","12.2643","0.001","90","","96.105","0.002","90","","2501.8","0.4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Azanium 4-{[(2-hydroxyphenyl)methylidene]amino}benzoate","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","1","DG3013","Sugiyama, Haruki; Uekusa, Hidehiro","Two-step crystal‒crystal phase transformation of <i>N</i>-salicylidene-<i>p</i>-aminobenzoic acid by gas‒solid reaction with aqua‒ammonia vapour","Acta Crystallographica Section C","2021","77","1","56","60","10.1107/S2053229620016411","","","0.71075","MoKα","","0.0745","0.0571","","","0.1398","0.1547","","","","","","1.077","","","","has coordinates,has Fobs","260145","2020-12-24","05:53:54",""
"2022300","12.3039","0.0004","6.4431","0.0002","25.9547","0.0007","90","","94.145","0.003","90","","2052.18","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Trithiocyanuric acid‒2,2'-bipyridine (2/1)","1,3,5-Triazinane-2,4,6-trithione‒2,2'-bipyridine (2/1)","","- C16 H14 N8 S6 -","- C16 H14 N8 S6 -","- C64 H56 N32 S24 -","4","0.5","DG3012","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin","Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms","Acta Crystallographica Section C","2021","77","1","49","55","10.1107/S2053229620016137","","","1.54184","CuKα","","0.0484","0.0438","","","0.1165","0.1195","","","","","","1.132","","","","has coordinates,has Fobs","260341","2021-01-01","08:38:35",""
"2022301","24.5777","0.0004","8.9406","0.0001","13.3772","0.0002","90","","93.313","0.002","90","","2934.59","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Trithiocyanuric acid‒4-methylbenzohydrazide (1/1)","1,3,5-Triazinane-2,4,6-trithione‒4-methylbenzohydrazide (1/1)","","- C11 H13 N5 O S3 -","- C11 H13 N5 O S3 -","- C88 H104 N40 O8 S24 -","8","2","DG3012","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka Justyna; Wojtulewski, Sławomir; Palusiak, Marcin","Trithiocyanuric acid: novel cocrystals and analysis of its tautomeric forms","Acta Crystallographica Section C","2021","77","1","49","55","10.1107/S2053229620016137","","","1.54184","CuKα","","0.0453","0.0396","","","0.1051","0.1086","","","","","","1.048","","","","has coordinates,has Fobs","260341","2021-01-01","08:38:36",""
"2022302","13.7529","0.0008","6.6451","0.0004","12.2086","0.0009","90","","93.634","0.006","90","","1113.49","0.12","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-{2-[(Pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","x-ray","1.54184","CuKα","","0.06","0.0489","","","0.1249","0.1393","","","","","","1.037","","","","has coordinates,has Fobs","260342","2021-01-01","08:40:09",""
"2022303","30.503","0.004","8.8791","0.0011","15.4063","0.0017","90","","116.856","0.005","90","","3722.6","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine)bis[dichloridozinc(II)] dichloromethane disolvate","","- C26 H24 Cl8 N12 Zn2 -","- C26 H24 Cl8 N12 Zn2 -","- C104 H96 Cl32 N48 Zn8 -","4","0.5","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.0597","0.0452","","","0.1299","0.1393","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:09",""
"2022304","13.414","0.009","18.504","0.012","14.674","0.01","90","","105.834","0.009","90","","3504","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine)bis[dichloridozinc(II)] chloroform monosolvate","","- C50 H42 Cl14 N24 Zn4 -","- C50 H42 Cl14 N24 Zn4 -","- C100 H84 Cl28 N48 Zn8 -","2","0.5","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.0586","0.0378","","","0.09","0.0953","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:10",""
"2022305","30.312","0.01","9.461","0.003","15.434","0.005","90","","114.625","0.004","90","","4024","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine)bis[diiodidozinc(II)] dichloromethane disolvate","","- C26 H24 Cl4 I4 N12 Zn2 -","- C26 H24 Cl4 I4 N12 Zn2 -","- C104 H96 Cl16 I16 N48 Zn8 -","4","0.5","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.0671","0.0517","","","0.1658","0.1776","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:10",""
"2022306","9.804","0.013","11.35","0.014","11.35","0.014","69.43","0.014","65.912","0.018","65.912","0.018","1026","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[diiodidozinc(II)]-μ-4-{2-[(pyridin-3-yl)methyl]-2<i>H</i>-tetrazol-5-yl}pyridine] chloroform monosolvate]","","- C13 H11 Cl3 I2 N6 Zn -","- C13 H11 Cl3 I2 N6 Zn -","- C26 H22 Cl6 I4 N12 Zn2 -","2","1","OP3008","Niu, Xiang-Long; Wei, Lin; Liu, Jian-Cheng; Jia, Wan-He; Ma, Jian-Ping; Wang, Lei; Wang, Jian-Cheng; Dong, Yu-Bin","Syntheses and structures of three macrocyclic supramolecular complexes and one Zn^II^-containing coordination polymer generated from a semi-rigid multidentate N-containing ligand","Acta Crystallographica Section C","2021","77","1","29","39","10.1107/S2053229620016083","","","0.71073","MoKα","","0.1638","0.1308","","","0.3222","0.3469","","","","","","1.228","","","","has coordinates,has disorder,has Fobs","260342","2021-01-01","08:40:10",""
"2022307","11.95","0.002","12.443","0.003","13.06","0.003","83.43","0.03","86.3","0.03","83.76","0.03","1915.1","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","[μ~2~-1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-di-μ~2~-iodido-[1-(pyridin-3-yl)ethan-1-one-κ<i>N</i>]tetracopper(I) dichloromethane disolvate","","- C70 H70 Cl4 Cu4 I4 N2 O2 P4 -","- C70 H70 Cl4 Cu4 I4 N2 O2 P4 -","- C70 H70 Cl4 Cu4 I4 N2 O2 P4 -","1","0.5","KY3202","Cao, Bing-Jun; Li, Ran; Huang, Xi-He","Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands","Acta Crystallographica Section C","2021","77","2","61","67","10.1107/S2053229620016745","","","0.71073","MoKα","","0.0843","0.0516","","","0.1063","0.1214","","","","","","1.025","","","","has coordinates,has Fobs","262766","2021-03-05","18:42:06",""
"2022308","11.981","0.002","12.996","0.003","13.23","0.003","62.49","0.03","68.32","0.03","83.71","0.03","1693.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[μ~2~-1,3-Bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']di-μ~3~-iodido-di-μ~2~-iodido-[1-(pyridin-4-yl)ethan-1-one-κ<i>N</i>]tetracopper(I)","","- C68 H66 Cu4 I4 N2 O2 P4 -","- C68 H66 Cu4 I4 N2 O2 P4 -","- C68 H66 Cu4 I4 N2 O2 P4 -","1","0.5","KY3202","Cao, Bing-Jun; Li, Ran; Huang, Xi-He","Synthesis, structure and photophysical properties of two tetranuclear copper(I) iodide complexes based on acetylpyridine and diphosphine mixed ligands","Acta Crystallographica Section C","2021","77","2","61","67","10.1107/S2053229620016745","","","0.71073","MoKα","","0.1266","0.0642","","","0.1254","0.1539","","","","","","1.038","","","","has coordinates,has Fobs","262766","2021-03-05","18:42:07",""
"2022309","10.9199","0.0003","13.1459","0.0003","17.8167","0.0005","90","","107.328","0.003","90","","2441.54","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(dipropylammonium) tetrachloridodimethylstannate(IV)","","- C14 H38 Cl4 N2 Sn -","- C14 H38 Cl4 N2 Sn -","- C56 H152 Cl16 N8 Sn4 -","4","1","CU3168","Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan","Conformational analysis of two new organotin(IV) structures completed with a CSD survey","Acta Crystallographica Section C","2021","77","2","68","80","10.1107/S2053229620016502","","","0.71073","MoKα","","0.0412","0.0306","","","0.0655","0.0706","","","","","","1.061","","","","has coordinates,has Fobs","262765","2021-03-05","18:41:59",""
"2022310","15.4589","0.0004","8.1983","0.0003","20.6655","0.0006","90","","106.556","0.002","90","","2510.49","0.14","120","0.1","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Dichloridodimethylbis[<i>N</i>,<i>N</i>',<i>N</i>''-tris(2-chlorobenzyl)phosphoric triamide]tin(IV)","","- C44 H48 Cl8 N6 O2 P2 Sn -","- C44 H48 Cl8 N6 O2 P2 Sn -","- C88 H96 Cl16 N12 O4 P4 Sn2 -","2","0.5","CU3168","Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan","Conformational analysis of two new organotin(IV) structures completed with a CSD survey","Acta Crystallographica Section C","2021","77","2","68","80","10.1107/S2053229620016502","","x-ray","1.54184","CuKα","","0.0266","0.0234","","","0.0559","0.0581","","","","1.32","1.32","1.31","","","","has coordinates","262765","2021-03-05","18:41:59",""
"2022311","11.4069","0.0004","17.9819","0.0007","19.1565","0.0007","90","","90","","90","","3929.3","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Skell, Jeffrey M.; Kahn, Michael; Foxman, Bruce M.","Δ^9^-Tetrahydrocannabinolic acid A, the precursor to Δ^9^-tetrahydrocannabinol (THC)","Acta Crystallographica Section C","2021","77","2","84","89","10.1107/S2053229621000280","","","0.71073","MoKα","","0.0357","0.0333","","0.0863","0.0838","0.0863","","","","","","0.9977","","","","has coordinates","262763","2021-03-05","18:41:44",""
"2022312","6.0581","0.0017","15.045","0.004","7.94","0.002","90","","90","","90","","723.7","0.3","120","2","120","2","","","","","","","","3","C m c e","-C 2ac 2","64","","Dicerium trialuminium tetragermanide","","- Al3 Ce2 Ge4 -","- Al3 Ce2 Ge4 -","- Al12 Ce8 Ge16 -","4","0.25","OV3145","Tobash, Paul; Bobev, Svilen","The structure of Ce~2~Al~3~Ge~4~ refined for the first time from single-crystal X-ray diffraction data","Acta Crystallographica Section C","2021","77","2","81","83","10.1107/S2053229621000383","","","0.71073","MoKα","","0.0245","0.0219","","","0.0492","0.05","","","","","","1.071","","","","has coordinates,has Fobs","262764","2021-03-05","18:41:50",""
"2022313","8.3359","0.0002","17.0987","0.0005","6.5405","0.0002","90","","110.687","0.002","90","","872.13","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[aqua(μ~6~-benzene-1,2,4,5-tetracarboxylic acid-κ^8^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^5^:<i>O</i>^5'^)(μ-but-2-enedioato-κ^2^<i>O</i>^1^:<i>O</i>^4^)potassium(I)]","","- C14 H12 K2 O14 -","- C14 H12 K2 O14 -","- C28 H24 K4 O28 -","2","0.5","OC3008","Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine","Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties","Acta Crystallographica Section C","2021","77","2","90","99","10.1107/S2053229621000085","","x-ray","0.71073","MoKα","","0.0527","0.0405","","","0.1079","0.1195","","","","","","1.061","","","","has coordinates,has Fobs","262769","2021-03-05","18:42:30",""
"2022314","7.0691","0.0011","7.8482","0.0012","7.9767","0.0012","99.938","0.007","107.918","0.006","101.824","0.006","398.74","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Poly[aqua(μ~8~-2,5-dicarboxybenzene-1,4-dicarboxylato-κ^12^<i>O</i>^1^:<i>O</i>^1'^,<i>O</i>^2^:<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^2'^:<i>O</i>^4^:<i>O</i>^4'^,<i>O</i>^5^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5'^)strontium(II)]","","- C12 H8 O14 Sr2 -","- C12 H8 O14 Sr2 -","- C12 H8 O14 Sr2 -","1","0.5","OC3008","Lifa, Said; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine","Alkali and alkaline earth coordination polymers constructed from benzene-1,2,4,5-tetracarboxylic acid and flexible dicarboxylate acid ligands: syntheses, structures and spectroscopic and thermal properties","Acta Crystallographica Section C","2021","77","2","90","99","10.1107/S2053229621000085","","x-ray","0.71073","MoKα","","0.0142","0.0134","","","0.0341","0.0343","","","","","","1.057","","","","has coordinates,has Fobs","262769","2021-03-05","18:42:30",""
"2022315","9.874","0.003","4.5259","0.0012","24.792","0.007","90","","94.393","0.005","90","","1104.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(Pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}manganese(II)","","- C11 H15 N3 O2 -","- C11 H15 N3 O2 -","- C44 H60 N12 O8 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0953","0.0515","","","0.1282","0.1482","","","","","","1.06","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022316","12.9256","0.0018","14.278","0.002","17.022","0.002","75.82","0.002","78.056","0.002","73.644","0.002","2890.1","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}manganese(II)","","- C11 H15 Cl2 Mn N3 O2 -","- C11 H15 Cl2 Mn N3 O2 -","- C88 H120 Cl16 Mn8 N24 O16 -","8","4","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0587","0.042","","","0.1086","0.1205","","","","","","1.045","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022317","7.2639","0.0012","24.655","0.004","9.471","0.0016","90","","98.994","0.003","90","","1675.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]diethanol}bis[dithiocyanatomanganese(II)]","","- C26 H30 Mn2 N10 O4 S4 -","- C26 H30 Mn2 N10 O4 S4 -","- C52 H60 Mn4 N20 O8 S8 -","2","0.5","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0585","0.0386","","","0.0823","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022318","10.9211","0.0008","12.0382","0.0009","15.3331","0.0011","90","","109.83","0.001","90","","1896.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{1,1'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-2-ol)}manganese(II) chloride monohydrate","","- C13 H23 Cl2 Mn N3 O4 -","- C13 H23 Cl2 Mn N3 O4 -","- C52 H92 Cl8 Mn4 N12 O16 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0579","0.0422","","","0.1074","0.1182","","","","","","1.029","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022319","14.4544","0.0006","8.6208","0.0004","16.9691","0.0007","90","","112.426","0.001","90","","1954.58","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","aquadichlorido{2,2'-dimethyl-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-1-ol)}manganese(II) 0.3-hydrate","","- C15 H25.6 Cl2 Mn N3 O3.3 -","- C15 H25.6 Cl2 Mn N3 O3.3 -","- C60 H102.4 Cl8 Mn4 N12 O13.2 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0351","0.0293","","","0.0728","0.0758","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","262762","2021-03-05","18:41:34",""
"2022320","8.5916","0.0004","8.2974","0.0004","35.1501","0.0018","90","","91.731","0.001","90","","2504.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dimethylformamide){2,2'-dimethyl-2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(propan-1-ol)}dithiocyanatomanganese(II)","","- C20 H30 Mn N6 O3 S2 -","- C20 H30 Mn N6 O3 S2 -","- C80 H120 Mn4 N24 O12 S8 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0398","0.0298","","","0.0762","0.0884","","","","","","1.103","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022321","14.9551","0.0012","11.0509","0.0009","18.4767","0.0014","90","","100.043","0.001","90","","3006.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dimethylformamide){2,2'-[(pyridine-2,6-diyl)bis(nitrilomethanylylidene)]bis(butan-1-ol)}dithiocyanatomanganese(II) dimethylformamide monosolvate","","- C23 H37 Mn N7 O4 S2 -","- C23 H37 Mn N7 O4 S2 -","- C92 H148 Mn4 N28 O16 S8 -","4","1","JX3060","McKee, Vickie; Kose, Muhammet","Manganese(II) complexes derived from acyclic ligands having flexible alcohol arms: structural chracterization and SOD and catalase mimetic studies","Acta Crystallographica Section C","2021","77","2","100","110","10.1107/S2053229621000395","","","0.71073","MoKα","","0.0664","0.0461","","","0.1207","0.1392","","","","","","1.063","","","","has coordinates,has Fobs","262762","2021-03-05","18:41:34",""
"2022322","29.76986","0.00018","8.91767","0.00004","14.70912","0.00008","90","","99.2973","0.0006","90","","3853.65","0.04","100","0.2","100","0.2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","<i>rtct</i>-1,2,3,4-Tetrakis(pyridin-4-yl)cyclobutane","","- C24 H20 N4 -","- C24 H20 N4 -","- C192 H160 N32 -","8","1","OV3144","Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.","Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane","Acta Crystallographica Section C","2021","77","2","111","115","10.1107/S2053229621000590","","x-ray","1.54184","CuKα","","0.04","0.0387","","","0.1007","0.1017","","","","","","1.034","","","","has coordinates,has Fobs","262768","2021-03-05","18:42:24",""
"2022323","13.8413","0.0001","8.9901","0.0001","21.868","0.0002","90","","103.683","0.001","90","","2643.91","0.04","100.2","0.7","100.2","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rtct</i>-1,2,3,4-Tetrakis(pyridin-4-yl)cyclobutane‒4,6-dichlorobenzene-1,3-diol‒water (1/1/1)","","- C30 H26 Cl2 N4 O3 -","- C30 H26 Cl2 N4 O3 -","- C120 H104 Cl8 N16 O12 -","4","1","OV3144","Santana, Carlos L.; Battle, Jessica D.; Unruh, Daniel K.; Groeneman, Ryan H.","Honeycomb molecular network based upon a hydrate of 4,6-dichlororesorcinol and the photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane","Acta Crystallographica Section C","2021","77","2","111","115","10.1107/S2053229621000590","","x-ray","1.54184","CuKα","","0.0309","0.0296","","","0.0774","0.0783","","","","","","1.092","","","","has coordinates,has Fobs","262768","2021-03-05","18:42:24",""
"2022324","7.4532","0.00017","8.26902","0.00019","23.1876","0.0006","90","","97.362","0.002","90","","1417.29","0.06","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","Acriflavinium 3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid‒water (1/1/1)","3,6-Diamino-10-methylacridin-10-ium 3,5-dinitrobenzoate‒3,5-dinitrobenzoic acid‒water (1/1/1)","","- C28 H23 N7 O13 -","- C28 H23 N7 O13 -","- C56 H46 N14 O26 -","2","1","EF3011","Marczak, Maria; Biereg, Kinga; Zadykowicz, Beata; Sikorski, Artur","Structural characterization and theoretical calculations of the monohydrate of the 1:2 cocrystal salt formed from acriflavine and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2021","77","2","116","122","10.1107/S2053229621000681","","","0.71073","MoKα","","0.0353","0.0344","","","0.0894","0.0901","","","","","","1.059","","","","has coordinates,has Fobs","262767","2021-03-05","18:42:14",""
"2022325","5.72152","0.00009","7.90017","0.00017","20.2729","0.0004","90","","90","","90","","916.35","0.03","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-4-nitroanilinium bromide","","- C6 H6 Br Cl N2 O2 -","- C6 H6 Br Cl N2 O2 -","- C24 H24 Br4 Cl4 N8 O8 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0366","0.0278","","","0.0598","0.0623","","","","","","1.127","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:16",""
"2022326","16.1771","0.0006","4.95335","0.00016","12.8431","0.0005","90","","101.584","0.004","90","","1008.17","0.06","295","1","295","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-4-nitroanilinium hydrogen sulfate","","- C6 H7 Cl N2 O6 S -","- C6 H7 Cl N2 O6 S -","- C24 H28 Cl4 N8 O24 S4 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.049","0.0359","","","0.0921","0.0991","","","","","","1.072","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022327","6.892","0.0002","7.7281","0.0003","8.921","0.0002","76.646","0.003","73.897","0.002","76.045","0.002","436.12","0.02","295","1","295","1","","","","","","","","5","P -1","-P 1","2","","2-Methyl-6-nitroanilinium bromide","","- C7 H9 Br N2 O2 -","- C7 H9 Br N2 O2 -","- C14 H18 Br2 N4 O4 -","2","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0342","0.0262","","","0.0585","0.0608","","","","","","1.109","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022328","7.084","0.0002","11.5247","0.0004","16.3921","0.0006","90","","98.738","0.003","90","","1322.73","0.08","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-nitroanilinium triiodide","","- C7 H9 I3 N2 O2 -","- C7 H9 I3 N2 O2 -","- C28 H36 I12 N8 O8 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0787","0.0306","","","0.0551","0.0586","","","","","","0.8","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022329","7.0966","0.0005","8.3785","0.0008","17.5115","0.0018","90","","100.185","0.009","90","","1024.81","0.16","295","1","295","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-nitroanilinium hydrogen sulfate","","- C7 H10 N2 O6 S -","- C7 H10 N2 O6 S -","- C28 H40 N8 O24 S4 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0568","0.0442","","","0.1317","0.1356","","","","","","1.067","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:17",""
"2022330","10.575","0.003","17.149","0.005","10.615","0.003","90","","108.434","0.014","90","","1826.3","0.9","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-(4,4,5,5-Tetramethyl-2-imidazoline-3-oxide-1-oxyl-2-yl)phenoxy]benzene-1,2-dicarbonitrile","","- C21 H19 N4 O3 -","- C21 H19 N4 O3 -","- C84 H76 N16 O12 -","4","1","EP3013","Fidan, Ismail; Onal, Emel; Hirel, Catherine","Nitroxide radicals appended to phthalonitriles: synthesis, structural characterization and photophysical properties","Acta Crystallographica Section C","2021","77","3","","","10.1107/S2053229621001832","","","0.71073","MoKα","","0.1115","0.0631","","","0.1539","0.1768","","","","","","1.061","","","","has coordinates,has Fobs","262155","2021-02-23","09:09:16",""
"2022331","7.631","0.002","10.877","0.002","36.025","0.008","90","","90","","90","","2990.2","1.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1''-(Phenylphosphanediyl)bis{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-\ (acetyloxy)ethyl]ferrocene}","","- C34 H35 Fe2 O4 P -","- C34 H35 Fe2 O4 P -","- C136 H140 Fe8 O16 P4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","","0.71073","MoKα","","0.0984","0.0653","","","0.1108","0.1221","","","","","","1.043","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022332","7.4923","0.0003","12.0133","0.0004","31.758","0.001","90","","90","","90","","2858.45","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monohydroxymonoacetatephosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-(Acetyloxy)ethyl]ferrocen-1-yl}[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenyl-(<i>S</i>)-phosphane sulfide","","- C32 H31 Fe2 O2 P S -","- C32 H31 Fe2 O2 P S -","- C128 H124 Fe8 O8 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0449","0.0321","","","0.0583","0.0615","","","","","","1.043","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022333","7.5285","0.0003","17.6463","0.0007","39.3333","0.0015","90","","90","","90","","5225.4","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monovinylmonohydroxyphosphinesulfide","[(2<i>S</i>~p~)-2-Ethenylferrocen-1-yl]{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-hydroxyethyl]ferrocen-1-yl}phenyl-(<i>S</i>)-phosphane sulfide","","- C30 H29 Fe2 O P S -","- C30 H29 Fe2 O P S -","- C240 H232 Fe16 O8 P8 S8 -","8","2","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0747","0.0555","","","0.1256","0.1367","","","","","","1.037","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022334","7.8204","0.0011","17.835","0.003","20.394","0.002","90","","90","","90","","2844.5","0.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monohydroxymonoacetatephosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-(Acetyloxy)ethyl]ferrocen-1-yl}{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-hydroxyethyl]ferrocen-1-yl}phenyl-(<i>R</i>)-phosphane sulfide","","- C32 H33 Fe2 O3 P S -","- C32 H33 Fe2 O3 P S -","- C128 H132 Fe8 O12 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.1139","0.054","","","0.077","0.0928","","","","","","1.019","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022335","12.3578","0.0009","14.4342","0.001","17.4796","0.0015","90","","90","","90","","3117.9","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","mono-N-benzylmonovinylphosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-Benzylamino)ethyl]ferrocen-1-yl}[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenyl-(<i>S</i>)-phosphane sulfide","","- C37 H36 Fe2 N P S -","- C37 H36 Fe2 N P S -","- C148 H144 Fe8 N4 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0614","0.0404","","","0.0823","0.0905","","","","","","0.982","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022336","8.4709","0.0007","14.1401","0.0011","21.031","0.0017","90","","91.88","0.003","90","","2517.7","0.4","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenylphosphane sulfide","","- C30 H27 Fe2 P S -","- C30 H27 Fe2 P S -","- C120 H108 Fe8 P4 S4 -","4","2","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","","0.71073","MoKα","","0.0359","0.0315","","","0.069","0.0714","","","","","","1.032","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022337","14.917","0.003","13.299","0.002","27.554","0.004","90","","104.074","0.005","90","","5302.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tBudmxCr2Cl2","Di-μ-chlorido-{μ-2,2'-[(10,10-dimethyl-9<i>H</i>-xanthene-1,8-diyl)bis(5-<i>tert</i>-butyl-2<i>H</i>-pyrrol-2-ylidene)bis(methanylylidene)]bis(5-<i>tert</i>-butyl-1<i>H</i>-pyrrol-1-ide)-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''}dichromium(II) diethyl ether monosolvate","","- C53 H66 Cl2 Cr2 N4 O2 -","- C53 H66 Cl2 Cr2 N4 O2 -","- C212 H264 Cl8 Cr8 N16 O8 -","4","1","YD3014","Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.","Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states","Acta Crystallographica Section C","2021","77","3","161","166","10.1107/S2053229621001388","","","0.71073","MoKα","","0.0579","0.0469","","","0.1256","0.133","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","262294","2021-02-27","05:47:00",""
"2022338","17.554","0.002","16.64","0.003","22.267","0.003","90","","90.785","0.005","90","","6503.5","1.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","K2tBudmxCr2Cl2","Dipotassium di-μ-chlorido-{μ-2,2'-[(10,10-dimethyl-9<i>H</i>-xanthene-1,8-diyl)bis(5-<i>tert</i>-butyl-2<i>H</i>-pyrrol-2-ylidene)bis(methanylylidene)]bis(5-<i>tert</i>-butyl-1<i>H</i>-pyrrol-1-ide)-κ^4^<i>N</i>,<i>N</i>':<i>N</i>'',<i>N</i>'''}dichromium(I)‒tetrahydrofuran‒diethyl ether (1/0/5/0.5)","","- C65 H89 Cl2 Cr2 K2 N4 O5 -","- C65 H89 Cl2 Cr2 K2 N4 O5 -","- C260 H356 Cl8 Cr8 K8 N16 O20 -","4","1","YD3014","Carsch, Kurtis; Elder, Shelby E.; Dogutan, Dilek K.; Nocera, Daniel G.; Yang, Junyu; Zheng, Shao-Liang; Daniel, Timothy; Betley, Theodore A.","Syntheses and solid-state structures of two cofacial (bis)dipyrrin dichromium complexes in different charge states","Acta Crystallographica Section C","2021","77","3","161","166","10.1107/S2053229621001388","","","0.71073","MoKα","","0.0839","0.0667","","","0.1659","0.1741","","","","","","1.146","","","","has coordinates,has disorder,has Fobs","262294","2021-02-27","05:47:03",""
"2022339","29.4665","0.0014","22.1299","0.0011","28.9371","0.0014","90","","97.3964","0.0014","90","","18712.6","1.6","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","Poly[[tetra-μ~3~-chlorido-deca-μ~2~-chlorido-dichloridohexakis(μ~4~-<i>L</i>-cysteinato)hexadecacopper] polyhydrate]","","- C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -","- C36 H74.68 Cl32 Cu32 N12 O25.97 S12 -","- C144 H298.72 Cl128 Cu128 N48 O103.88 S48 -","4","1","HB7953","Gizatullin, Amir; Becker, Jonathan; Islamov, Daut; Serov, Nikita; Schindler, Siegfried; Klimovitskii, Alexander; Shtyrlin, Valery","Synthesis and structure of a complex of copper(I) with L-cysteine and chloride ions containing Cu12S6 nanoclusters","Acta Crystallographica Section E Crystallographic Communications","2021","77","4","324","330","10.1107/S2056989021002012","","","0.71073","MoKα","","0.0584","0.0412","","","0.1062","0.1138","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","262380","2021-03-03","07:11:01",""
"2022340","12.6208","0.0012","15.6878","0.0015","4.8338","0.0005","90","","90","","90","","957.06","0.16","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","Manganese cobalt germanide","","- Co32.32 Ge13.68 Mn28 -","- Co32.32 Ge13.68 Mn28 -","- Co32.32 Ge13.68 Mn28 -","1","0.125","EF3015","Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin","Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system","Acta Crystallographica Section C","2021","77","4","176","180","10.1107/S2053229621002370","","","0.71073","MoKα","","0.0359","0.0323","","","0.0779","0.0795","","","","","","1.219","","","","has coordinates,has Fobs","264983","2021-05-06","07:09:01",""
"2022341","12.6427","0.001","15.6725","0.0012","4.8374","0.0004","90","","90","","90","","958.5","0.13","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","Manganese cobalt germanide","","- Co30.97 Ge13.25 Mn29.79 -","- Co30.96 Ge13.248 Mn29.792 -","- Co30.96 Ge13.248 Mn29.792 -","1","0.125","EF3015","Shtender, Vitalii; Larsen, Simon R.; Sahlberg, Martin","Variants of the <i>X</i>-phase in the Mn‒Co‒Ge system","Acta Crystallographica Section C","2021","77","4","176","180","10.1107/S2053229621002370","","","0.71073","MoKα","","0.0265","0.0219","","","0.0502","0.0515","","","","","","1.103","","","","has coordinates,has Fobs","264983","2021-05-06","07:09:01",""
"2022342","6.02813","0.00013","6.02813","0.00013","7.24883","0.00016","90","","90","","120","","228.12","0.009","293","2","293","2","","","","","","","","2","R 3 2 :H","R 3 2""","155","","Trinickel diselenide","","- Ni3 Se2 -","- Ni3 Se2 -","- Ni9 Se6 -","3","0.166667","EP3012","Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko","Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe","Acta Crystallographica Section C","2021","77","4","169","175","10.1107/S2053229621002187","","","0.71073","MoKα","","0.0204","0.0204","","","","0.0517","","","","","","1.37","","","","has coordinates,has Fobs","264984","2021-05-06","07:09:09",""
"2022343","3.66147","0.0001","3.66147","0.0001","5.35766","0.00016","90","","90","","120","","62.204","0.003","293","2","293","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Nickel selenide","","- Ni Se -","- Ni Se -","- Ni2 Se2 -","2","0.0833333","EP3012","Unoki, Kohei; Yoshiasa, Akira; Kitahara, Ginga; Nishiayama, Tadao; Tokuda, Makoto; Sugiyama, Kazumasa; Nakatsuka, Akihiko","Crystal structure refinements of stoichiometric Ni~3~Se~2~ and NiSe","Acta Crystallographica Section C","2021","77","4","169","175","10.1107/S2053229621002187","","","0.71073","MoKα","","0.0193","0.0176","","","","0.0429","","","","","","1.238","","","","has coordinates,has Fobs","264984","2021-05-06","07:09:10",""
"2022344","7.5962","0.0003","11.4871","0.0004","9.0245","0.0004","90","","106.339","0.004","90","","755.66","0.05","297.22","0.1","297.22","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Tetrachloridobis(diethyl ether-κ<i>O</i>)tungsten(IV)","","- C8 H20 Cl4 O2 W -","- C8 H20 Cl4 O2 W -","- C16 H40 Cl8 O4 W2 -","2","0.5","YP3213","Shaw, Thomas E.; Sattelberger, Alfred P.; Jurca, Titel","A 35-year-old mystery solved: a facile synthetic route and structural confirmation of tetrachlorobis(diethyl ether)tungsten(IV)","Acta Crystallographica Section C","2021","77","4","181","185","10.1107/S2053229621002412","","x-ray","0.71073","MoKα","","0.0427","0.0255","","","0.0529","0.0577","","","","","","1.013","","","","has coordinates","264982","2021-05-06","07:08:51",""
"2022345","11.6763","0.0001","7.2768","0.0001","22.3075","0.0001","90","","96.6429","0.0006","90","","1882.66","0.03","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(<i>S</i>)-(-)-α-4-dimethylbenzylamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","2","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.037","0.0366","","0.0944","0.0936","0.0944","","","","","","0.9862","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:43",""
"2022346","11.6739","0.0001","7.2783","0.0001","22.3071","0.0002","90","","96.638","0.0009","90","","1882.64","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","Diphenyl [(<i>S</i>)-(-)-α-4-dimethylbenzylamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","2","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.0723","0.0718","","0.1824","0.1812","0.1824","","","","","","0.9842","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:44",""
"2022347","4.9712","0.0001","20.1758","0.0002","22.7451","0.0003","90","","90","","90","","2281.29","0.06","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>R</i>)-(+)-α-ethylbenzyl]phosphoric triamide","","- C25 H28 F2 N3 O2 P -","- C25 H28 F2 N3 O2 P -","- C100 H112 F8 N12 O8 P4 -","4","1","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.031","0.0299","","0.0781","0.0773","0.0781","","","","","","0.916","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:44",""
"2022348","5.1859","0.0001","11.8497","0.0001","9.6461","0.0001","90","","96.153","0.001","90","","589.351","0.014","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","1<i>H</i>-1,2,4-Triazolium perchlorate","","- C2 H4 Cl N3 O4 -","- C2 H4 Cl N3 O4 -","- C8 H16 Cl4 N12 O16 -","4","1","WP3012","Kumasaki, Mieko; Gontani, Saori; Mori, Kanae; Matsumoto, Shinya; Inoue, Kazuki","Crystallographic study of the energetic salt 1,2,4-triazolium perchlorate","Acta Crystallographica Section C","2021","77","5","197","201","10.1107/S2053229621003260","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0925","0.0942","","","","","","1.116","","","","has coordinates,has Fobs","266206","2021-06-06","16:15:38",""
"2022349","6.8378","0.0004","11.4334","0.0007","12.7595","0.0008","90","","90","","90","","997.53","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxycytidine","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","VP3014","Budow-Busse, Simone; Chai, Yingying; Müller, Sebastian Lars; Daniliuc, Constantin; Seela, Frank","The α-<small>D</small>-anomer of 2'-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis","Acta Crystallographica Section C","2021","77","5","202","208","10.1107/S2053229621003430","","","1.54178","CuKα","","0.0257","0.0248","","","0.0601","0.0609","","","","","","1.124","","","","has coordinates,has Fobs","266207","2021-06-06","16:15:44",""
"2022350","9.4028","0.0001","25.1718","0.0002","15.5008","0.0001","90","","93.3046","0.0003","90","","3662.71","0.05","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibutylbis{(<i>E</i>)-2-hydroxy-5-[(3-methylphenyl)diazenyl]benzoato}tin(IV) cyclohexane hemisolvate","","- C39 H46 N4 O6 Sn -","- C39 H46 N4 O6 Sn -","- C156 H184 N16 O24 Sn4 -","4","1","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0781","0.0398","","","0.0944","0.1101","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","266200","2021-06-06","16:14:46",""
"2022351","13.6816","0.0001","12.5767","0.0001","22.5401","0.0002","90","","107.017","0.0006","90","","3708.65","0.05","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dibenzylbis{(<i>E</i>)-5-[(4-bromophenyl)diazenyl]-2-hydroxybenzoato}tin(IV)","","- C40 H30 Br2 N4 O6 Sn -","- C40 H30 Br2 N4 O6 Sn -","- C160 H120 Br8 N16 O24 Sn4 -","4","1","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0479","0.0316","","","0.0691","0.0757","","","","","","1.043","","","","has coordinates,has Fobs","266200","2021-06-06","16:14:46",""
"2022352","23.653","0.0005","10.1034","0.0002","20.5952","0.0004","90","","115.072","0.0012","90","","4458.02","0.16","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquadibenzylbis(4-{(<i>E</i>)-[(Z)-4-hydroxypent-3-en-2-ylidene]amino}benzoato)tin(IV) benzene disolvate","","- C50 H52 N2 O7 Sn -","- C38 H40 N2 O7 Sn -","- C152 H160 N8 O28 Sn4 -","4","0.5","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0765","0.0559","","","0.137","0.1483","","","","","","1.047","","","","has coordinates,has Fobs","266200","2021-06-06","16:14:46",""
"2022353","11.8395","0.0001","24.2855","0.0003","17.3557","0.0002","90","","93.2962","0.0007","90","","4982","0.09","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Octabutyltetrakis{μ-(<i>E</i>)-4-[(4-hydroxy-3,5-dimethylphenyl)diazenyl]benzoato}di-μ~3~-oxido-tetratin(IV) ethanol disolvate","","- C96 H136 N8 O16 Sn4 -","- C96 H136 N8 O16 Sn4 -","- C192 H272 N16 O32 Sn8 -","2","0.5","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.0449","0.0331","","","0.0711","0.0765","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","266200","2021-06-06","16:14:46",""
"2022354","12.0054","0.0003","14.7309","0.0004","23.9132","0.0006","76.3707","0.0018","75.5206","0.0016","88.1609","0.0016","3977.81","0.18","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","Octabutyltetrakis{(<i>E</i>)-3-[(2-hydroxybenzylidene)amino]propanoato}di-μ~3~-oxido-tetratin(IV)","","- C72 H112 N4 O14 Sn4 -","- C72 H112 N4 O14 Sn4 -","- C144 H224 N8 O28 Sn8 -","2","1","OV3150","Linden, Anthony; Basu Baul, Tushar S.","Structural diversity among some dialkyltin(IV) benzoate and related derivatives","Acta Crystallographica Section C","2021","77","5","209","220","10.1107/S2053229621003545","","","0.71073","MoKα","","0.1145","0.0464","","","0.0906","0.114","","","","","","1.021","","","","has coordinates,has Fobs","266200","2021-06-06","16:14:46",""
"2022355","9.4872","0.0013","10.7297","0.0014","25.92","0.002","89.116","0.003","87.262","0.003","89.258","0.002","2635","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aqua-μ~2~-bromido-di-μ~3~-hydroxido-methanoldinitratotetracopper(II)]-bis{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}] nitrate]","","- C39 H64 Br Cu4 N5 O23 -","- C39 H64 Br Cu4 N5 O23 -","- C78 H128 Br2 Cu8 N10 O46 -","2","1","OV3146","Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei","Three coordination polymers built by quaternary-ammonium-modified isophthalic acid","Acta Crystallographica Section C","2021","77","5","221","226","10.1107/S2053229621003296","","","0.71073","MoKα","","0.0917","0.0496","","","0.0862","0.0917","","","","","","1.046","","","","has coordinates,has Fobs","266201","2021-06-06","16:14:59",""
"2022356","9.0572","0.0007","10.6773","0.0008","26.743","0.002","90","","95.505","0.003","90","","2574.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Poly[μ~3~-bromido-μ~2~-bromido-bromido-μ~3~-hydroxido-{μ~4~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}tricopper(II)]","","- C19 H29 Br3 Cu3 N O6 -","- C19 H29 Br3 Cu3 N O6 -","- C76 H116 Br12 Cu12 N4 O24 -","4","1","OV3146","Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei","Three coordination polymers built by quaternary-ammonium-modified isophthalic acid","Acta Crystallographica Section C","2021","77","5","221","226","10.1107/S2053229621003296","","","0.71073","MoKα","","0.0575","0.0433","","","0.0886","0.0905","","","","","","1.451","","","","has coordinates,has Fobs","266201","2021-06-06","16:14:59",""
"2022357","11.5479","0.0007","14.7949","0.001","12.3782","0.0009","90","","99.813","0.002","90","","2083.9","0.2","290","","290","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[bromido{μ~3~-5-[2-(tripropylazaniumyl)ethoxy]benzene-1,3-dicarboxylato}zinc(II)]","","- C19 H28 Br N O5 Zn -","- C19 H28 Br N O5 Zn -","- C76 H112 Br4 N4 O20 Zn4 -","4","1","OV3146","Wang, Li-Fei; Liu, Xing-Gui; Meng, Mei-Mei; Xu, Yong-Kai; Zhu, Rui; Zhang, Rui; Lu, Zhen-Zhong; Huang, Wei","Three coordination polymers built by quaternary-ammonium-modified isophthalic acid","Acta Crystallographica Section C","2021","77","5","221","226","10.1107/S2053229621003296","","","0.71073","MoKα","","0.0418","0.0355","","","0.0924","0.0962","","","","","","1.068","","","","has coordinates,has Fobs","266201","2021-06-06","16:14:59",""
"2022358","10.7338","0.0009","10.7338","0.0009","10.7338","0.0009","90","","90","","90","","1236.69","0.18","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","Dodecalithium trimagnesium trisilicon aluminium","","- Al0.33 Li4 Mg Si -","- Al0.33 Li4 Mg Si1.00333 -","- Al3.96 Li48 Mg12 Si12.04 -","12","0.25","YO3079","Pavlyuk, Volodymyr; Ciesielski, Wojciech; Kulawik, Damian; Pavlyuk, Nazar; Dmytriv, Grygoriy","Structural and enhanced hydrogen storage properties of the Li~12~Mg~3~Si~3~Al phase","Acta Crystallographica Section C","2021","77","5","227","234","10.1107/S2053229621004113","","","0.71073","MoKα","","0.0203","0.0184","","","0.0345","0.035","","","","","","1.019","","","","has coordinates,has Fobs","266203","2021-06-06","16:15:17",""
"2022363","9.8113","0.0004","9.8273","0.0004","16.6898","0.0005","91.454","0.003","106.989","0.003","101.534","0.003","1501.86","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Dichlorido[1-diphenylphosphinoyl-1'-(di-<i>tert</i>-butylphosphanyl)ferrocene-\ κ^2^<i>O</i>,<i>P</i>]cadmium(II)","","- C30 H36 Cd Cl2 Fe O P2 -","- C30 H36 Cd Cl2 Fe O P2 -","- C60 H72 Cd2 Cl4 Fe2 O2 P4 -","2","1","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0745","0.0498","","","0.0874","0.0986","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022364","10.8762","0.0003","11.3163","0.0003","13.5343","0.0004","83.078","0.002","87.002","0.002","70.848","0.003","1561.97","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis[μ-(<i>tert</i>-butyl)(1'-diphenylphosphinoylferrocen-1-yl)phosphinato-\ κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']bis[chloridozinc(II)]","","- C52 H54 Cl2 Fe2 O6 P4 Zn2 -","- C52 H54 Cl2 Fe2 O6 P4 Zn2 -","- C52 H54 Cl2 Fe2 O6 P4 Zn2 -","1","0.5","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.092","0.054","","","0.1066","0.1222","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022365","14.7589","0.0007","14.0445","0.0005","14.7141","0.0006","90","","116.982","0.0018","90","","2718","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Bis(di-<i>tert</i>-butylthiophosphinoyl)ferrocene","","- C26 H44 Fe P2 S2 -","- C26 H44 Fe P2 S2 -","- C104 H176 Fe4 P8 S8 -","4","1","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0668","0.0422","","","0.0828","0.0952","","","","","","1.019","","","","has coordinates,has Fobs","266202","2021-06-06","16:15:10",""
"2022366","8.2992","0.0006","21.6504","0.0018","9.9175","0.0007","90","","112.451","0.004","90","","1646.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","[1,1'-Bis(dicyclohexylphosphanyl)ferrocene-\ κ^2^<i>P</i>,<i>P</i>'][chlorido/cyanido(0.25/1.75)]zinc(II)","","- C35.75 H52 Cl0.25 Fe N1.75 P2 Zn -","- C35.718 H52 Cl0.282 Fe N1.718 P2 Zn -","- C71.436 H104 Cl0.564 Fe2 N3.436 P4 Zn2 -","2","0.5","YD3016","Chaudhary, Karan; Trivedi, Manoj; Masram, Dhanraj T.; Rath, Nigam P.","Transition-metal complexes of group 12 with 1,1'-bis(phosphanyl)ferrocene ligands","Acta Crystallographica Section C","2021","77","5","240","248","10.1107/S2053229621004162","","","0.71073","MoKα","","0.0591","0.0397","","","0.0852","0.0926","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","266202","2021-06-06","16:15:10",""
"2022367","6.2861","0.0005","7.5366","0.0006","13.4963","0.0011","90.547","0.001","100.667","0.001","113.489","0.001","573.81","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Trisodium europium octaborate","","- B8 Eu Na3 O15 -","- B8 Eu Na3 O15 -","- B16 Eu2 Na6 O30 -","2","1","KY3203","Bi, Wen-Yan; Wang, Wei; Zhang, Rui-Juan","New red phosphor Na~3~EuB~8~O~15~ with an open-window tubular structure","Acta Crystallographica Section C","2021","77","5","235","239","10.1107/S2053229621004071","","","0.71073","MoKα","","0.0263","0.0234","","","0.0534","0.0547","","","","","","1.065","","","","has coordinates,has Fobs","266205","2021-06-06","16:15:31",""
"2022368","6.088","0.003","7.826","0.003","8.623","0.003","79.8","0.03","72.96","0.03","80.62","0.03","383.9","0.3","160.15","","160.15","","","","","","","","","4","P -1","-P 1","2","","5-[(Prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine","","- C5 H7 N3 S2 -","- C5 H7 N3 S2 -","- C10 H14 N6 S4 -","2","1","VP3015","Slyvka, Yurii; Kinzhybalo, Vasyl; Shyyka, Olga; Mys'kiv, Marian","Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta</i>) and its heterometallic π,σ-complex [Cu~2~FeCl~2~(<i>Pesta</i>)~4~][FeCl~4~]","Acta Crystallographica Section C","2021","77","5","249","256","10.1107/S2053229621004198","","","0.71073","MoKα","","0.0462","0.0406","","","0.1072","0.1128","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","266204","2021-06-06","16:15:25",""
"2022369","17.65","0.005","10.686","0.004","21.107","0.006","90","","90.15","0.03","90","","3981","2","99.98","0.1","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Di-μ~2~-chlorido-1:2κ^2^<i>Cl</i>;2:3κ^2^<i>Cl</i>-tetrakis[μ~2~-5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine]-1:2κ^2^<i>N</i>^4^:<i>N</i>^3^;1(η^2^),κ<i>N</i>^4^:2κ<i>N</i>^3^;2:3κ^2^<i>N</i>^3^:<i>N</i>^4^;2κ<i>N</i>^3^:3(η^2^),κ<i>N</i>^4^-dicopper(I)iron(II) tetrachloridoferrate(II)","","- C20 H28 Cl6 Cu2 Fe2 N12 S8 -","- C20 H28 Cl6 Cu2 Fe2 N12 S8 -","- C80 H112 Cl24 Cu8 Fe8 N48 S32 -","4","0.5","VP3015","Slyvka, Yurii; Kinzhybalo, Vasyl; Shyyka, Olga; Mys'kiv, Marian","Synthesis, structure and computational study of 5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (<i>Pesta</i>) and its heterometallic π,σ-complex [Cu~2~FeCl~2~(<i>Pesta</i>)~4~][FeCl~4~]","Acta Crystallographica Section C","2021","77","5","249","256","10.1107/S2053229621004198","","","0.71073","MoKα","","0.0314","0.0248","","","0.0555","0.0591","","","","","","1.069","","","","has coordinates,has Fobs","266204","2021-06-06","16:15:25",""
"2022370","3.8053","0.0002","14.661","0.0008","12.9396","0.0007","90","","97.32","0.006","90","","716.01","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C28 H20 Br4 O12 -","4","1","","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0485","0.0404","","","0.1027","0.1103","","","","","","1.044","","","","has coordinates","267275","2021-07-06","06:40:09",""
"2022371","6.9581","0.0007","7.1413","0.0008","8.0284","0.0009","81.959","0.01","73.812","0.01","71.352","0.01","362.44","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C7 H5 Br O3 -","- C7 H5 Br O3 -","- C14 H10 Br2 O6 -","2","1","","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0279","0.0261","","","0.0667","0.0678","","","","","","1.019","","","","has coordinates","267275","2021-07-06","06:40:09",""
"2022372","10.3703","0.0004","10.9444","0.0004","14.8108","0.0006","90","","103.35","0.004","90","","1635.55","0.11","100.02","0.1","100.02","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H4 Br2 O3 -","- C7 H4 Br2 O3 -","- C56 H32 Br16 O24 -","8","1","","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0248","0.0228","","","0.0588","0.0598","","","","","","1.039","","","","has coordinates","267275","2021-07-06","06:40:09",""
"2022373","9.9325","0.0004","9.0196","0.0003","12.3942","0.0004","90","","93.844","0.003","90","","1107.86","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒5-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 5-bromosalicylic acid","","- C22 H28 Br N O7 -","- C22 H28 Br N O7 -","- C44 H56 Br2 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0395","0.0336","","","0.0587","0.0611","","","","","","1.018","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022374","9.522","0.00019","9.3214","0.0002","13.3453","0.0003","90","","99.6446","0.0019","90","","1167.77","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒3,5-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 3,5-dibromosalicylic acid","","- C22 H27 Br2 N O7 -","- C22 H27 Br2 N O7 -","- C44 H54 Br4 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.033","0.0297","","","0.0646","0.0665","","","","","","1.034","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022375","11.0814","0.0002","9.28293","0.00018","11.1404","0.0002","90","","98.638","0.002","90","","1132.99","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","11-Azaartemisinin‒4-bromosalicylic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one; 4-bromosalicylic acid","","- C22 H28 Br N O7 -","- C22 H28 Br N O7 -","- C44 H56 Br2 N2 O14 -","2","1","DV3004","Roy, Monalisa; Li, Keyao; Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Varying degrees of homostructurality in a series of cocrystals of antimalarial drug 11-azaartemisinin with salicylic acids","Acta Crystallographica Section C","2021","77","6","262","270","10.1107/S2053229621004460","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0654","0.0676","","","","","","1.041","","","","has coordinates,has Fobs","267275","2021-07-06","06:40:09",""
"2022376","10.6631","0.0006","10.6631","0.0006","25.203","0.002","90","","90","","90","","2865.6","0.3","298","2","298","2","","","","","","","","5","P 43","P 4cw","78","","Poly[{μ-bis[4-(2-methylimidazol-1-yl)phenyl] ether-κ^2^<i>N</i>^3^:<i>N</i>^3'^}(μ-naphthalene-1,4-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^)cadmium(II)]","","- C32 H24 Cd N4 O5 -","- C32 H24 Cd N4 O5 -","- C128 H96 Cd4 N16 O20 -","4","1","OV3147","Wu, Ji-Pei; Cheng, Yi-Chuan; Lu, Lei; Wang, Jun; Qiao, Shan-Bao","A fourfold interpenetrating three-dimensional cadmium(II) coordination polymer: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2021","77","6","257","261","10.1107/S2053229621004642","","","0.71073","MoKα","","0.0269","0.0255","","","0.0646","0.066","","","","","","1.1","","","","has coordinates,has Fobs","267276","2021-07-06","06:40:21",""
"2022377","10.32882","0.00007","8.50126","0.00005","9.30814","0.00006","90","","98.5748","0.0005","90","","808.193","0.009","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","magnesium zinc divanadium oxide","Magnesium zinc divanadate","","- Mg O7 V2 Zn -","- Mg O7 V2 Zn -","- Mg6 O42 V12 Zn6 -","6","0.75","WM5602","Hong, Stephanie J.; Li, Jun; Subramanian, Mas A.","Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data","Acta Crystallographica Section E Crystallographic Communications","2021","77","6","588","591","10.1107/S2056989021004503","powder diffraction","x-ray","1.5405","Cukα~1~","","","","","","","","","","1.81","","","","","","","has coordinates","265086","2021-05-11","04:49:48",""
"2022378","7.653","0.0007","7.8066","0.0005","11.5939","0.0005","76.603","0.005","88.358","0.005","61.263","0.008","588.04","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-nitrophenyl) selenide","","- C12 H8 N2 O4 Se -","- C12 H8 N2 O4 Se -","- C24 H16 N4 O8 Se2 -","2","1","ZO3004","Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.","Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621005015","","","0.71073","MoKα","","0.0352","0.0321","","","0.0782","0.0797","","","","","","1.025","","","","has coordinates,has Fobs","265292","2021-05-18","06:47:08",""
"2022379","8.4557","0.0002","7.053","0.0002","18.0521","0.0005","90","","92.643","0.003","90","","1075.45","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2-aminophenyl) selenide","","- C12 H12 N2 Se -","- C12 H12 N2 Se -","- C48 H48 N8 Se4 -","4","1","ZO3004","Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.","Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621005015","","","0.71073","MoKα","","0.0577","0.0475","","","0.1246","0.1324","","","","","","1.024","","","","has coordinates,has Fobs","265292","2021-05-18","06:47:08",""
"2022380","7.0048","0.0002","8.6062","0.0003","10.1392","0.0003","66.164","0.003","88.628","0.002","88.78","0.002","558.9","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminophenyl) telluride","","- C12 H12 N2 Te -","- C12 H12 N2 Te -","- C24 H24 N4 Te2 -","2","1","ZO3004","Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.","Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621005015","","","0.71073","MoKα","","0.0252","0.0204","","","0.0474","0.049","","","","","","1.095","","","","has coordinates,has Fobs","265292","2021-05-18","06:47:09",""
"2022381","11.607","0.005","14.951","0.006","15.017","0.006","90","","100.287","0.007","90","","2564.1","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Poly[[diaqua[μ~6~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dilead(II)] 2.5-hydrate]","","- C23 H29 O12.5 Pb2 -","- C23 H20 O10 Pb2 -","- C92 H80 O40 Pb8 -","4","1","","Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran","Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties","Acta Crystallographica Section C","2021","77","6","291","298","10.1107/S2053229621005143","","","0.71073","MoKα","","0.1295","0.0623","","","0.1481","0.1653","","","","","","0.902","","","","has coordinates,has Fobs","267274","2021-07-06","06:39:57",""
"2022382","15.826","0.004","13.033","0.003","16.03","0.004","90","","93.074","0.004","90","","3301.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[di-μ-aqua-diaqua(dimethylformamide)[μ~7~-5,5'-methylenebis(2,4,6-trimethylbenzene-1,3-dicarboxylato)]dibarium(II)] trihydrate]","","- C26 H41 Ba2 N O16 -","- C26 H39 Ba2 N O16 -","- C104 H156 Ba8 N4 O64 -","4","1","DG3016","Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong; Wang, Lei; Yang, Xue; Liang, Xiaoting; Fan, Shuangshuang; Zhang, Peiran","Novel Ba^2+^ and Pb^2+^ metal‒organic frameworks based on a semi-rigid tetracarboxylic acid: syntheses, structures, topologies and luminescence properties","Acta Crystallographica Section C","2021","77","6","291","298","10.1107/S2053229621005143","","","0.71073","MoKα","","0.0382","0.0315","","","0.079","0.0823","","","","","","1.064","","","","has coordinates,has Fobs","267274","2021-07-06","06:39:58",""
"2022383","11.675","0.0007","8.6138","0.0005","14.1504","0.0008","90","","90.075","0.002","90","","1423.05","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Allyl-3-hydroxy-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","3-Hydroxy-3-(6-oxocyclohex-1-en-1-yl)-1-(prop-2-en-1-yl)indol-2-one","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0661","0.0512","","","0.1202","0.1349","","","","","","1.127","","","","has coordinates,has disorder,has Fobs","265536","2021-05-27","05:11:02",""
"2022384","8.9227","0.0006","12.8741","0.0006","12.5994","0.0008","90","","93.897","0.003","90","","1443.97","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-hydroxy-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0775","0.0445","","","0.0981","0.1175","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","265536","2021-05-27","05:11:02",""
"2022385","7.896","0.0003","19.6458","0.0008","9.1088","0.0003","90","","90","","90","","1412.99","0.09","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Bromo-3-hydroxy-1-methyl-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","EF3014","Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan","Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives","Acta Crystallographica Section C","2021","77","6","","","10.1107/S2053229621004940","","","0.71073","MoKα","","0.0367","0.0331","","","0.0971","0.1013","","","","","","1.134","","","","has coordinates,has Fobs","265536","2021-05-27","05:11:03",""
"2022386","8.581","0.0002","9.2648","0.0003","11.4073","0.0004","90","","90","","90","","906.89","0.05","153","1","153","1","","","","","","","","5","P n a 21","P 2c -2n","33","","Potassium triiodidomercurate(II) monohydrate","","- H2 Hg I3 K O -","- H2 Hg I3 K O -","- H8 Hg4 I12 K4 O4 -","4","1","WM5609","Chocolatl Torres, Misael; Bernès, Sylvain; Salazar Kuri, Ulises","Refinement of K[HgI3]·H2O using non-spherical atomic form factors","Acta Crystallographica Section E Crystallographic Communications","2021","77","7","681","685","10.1107/S2056989021005582","","x-ray","0.56083","AgKα","","0.0363","0.0214","","","0.0353","0.0381","","","","","","0.8712","","","","has coordinates,has Fobs","265824","2021-06-05","05:26:11",""
"2022387","9.7713","0.0003","11.8827","0.0004","16.0872","0.0006","85.185","0.001","80.369","0.001","69.634","0.001","1725.76","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Iodido(thiourea-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C37 H34 Cu I N2 P2 S -","- C37 H34 Cu I N2 P2 S -","- C74 H68 Cu2 I2 N4 P4 S2 -","2","1","ZO3011","Liang, Yu; Wang, Jian-Teng; Song, Li; Dai, Ding-Qiu; Wang, You-Yu; Chai, Wen-Xiang","Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP~2~S-containing cuprous complexes","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005696","","","0.71073","MoKα","","0.0292","0.0279","","","0.0738","0.0745","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","266252","2021-06-08","05:10:53",""
"2022388","10.9718","0.0003","15.9975","0.0004","44.0539","0.0012","90","","95.2989","0.0009","90","","7699.4","0.4","170","2","170.01","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,3-Dihydrobenzimidazole-2-thione-κ<i>S</i>)iodidobis(triphenylphosphane-κ<i>P</i>)copper(I)","","- C43 H36 Cu I N2 P2 S -","- C43 H36 Cu I N2 P2 S -","- C344 H288 Cu8 I8 N16 P16 S8 -","8","2","ZO3011","Liang, Yu; Wang, Jian-Teng; Song, Li; Dai, Ding-Qiu; Wang, You-Yu; Chai, Wen-Xiang","Structural, spectroscopic and DFT theoretical studies of phosphorescent CuIP~2~S-containing cuprous complexes","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005696","","","0.71073","MoKα","","0.0276","0.0233","","","0.0511","0.0531","","","","","","1.049","","","","has coordinates,has Fobs","266252","2021-06-08","05:10:54",""
"2022389","7.4115","0.0004","8.5345","0.0004","10.779","0.0005","89.682","0.004","72.145","0.005","71.405","0.005","611.87","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido[3,5-dimethyl-1-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]zinc(II)","","- C10 H11 Cl2 N3 Zn -","- C10 H11 Cl2 N3 Zn -","- C20 H22 Cl4 N6 Zn2 -","2","1","WP3016","Małecka, Magdalena; Kusz, Joachim; Mayer, Peter; Sobiesiak, Marta; Budzisz, Elzbieta","Zinc(II) and nickel(II) complexes of 3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole: relationship between fluorescence and crystal packing","Acta Crystallographica Section C Structural Chemistry","2021","77","7","","","10.1107/S2053229621005374","","x-ray","0.71073","MoKα","","0.0268","0.0236","","","0.0642","0.0671","","","","","","1.015","","","","has coordinates,has Fobs","266253","2021-06-08","05:11:42",""
"2022390","12.2306","0.0011","13.2638","0.001","14.056","0.0014","90","","100.981","0.008","90","","2238.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachloridobis[3,5-dimethyl-1-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-pyrazole-κ<i>N</i>^2^]nickel(II) chloride monohydrate","","- C20 H26 Cl2 N6 Ni O2 -","- C20 H26 Cl2 N6 Ni O2 -","- C80 H104 Cl8 N24 Ni4 O8 -","4","1","WP3016","Małecka, Magdalena; Kusz, Joachim; Mayer, Peter; Sobiesiak, Marta; Budzisz, Elzbieta","Zinc(II) and nickel(II) complexes of 3,5-dimethyl-1-(pyridin-2-yl)-1H-pyrazole: relationship between fluorescence and crystal packing","Acta Crystallographica Section C Structural Chemistry","2021","77","7","","","10.1107/S2053229621005374","","","0.71073","MoKα","","0.0893","0.0522","","","0.0923","0.1085","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","266253","2021-06-08","05:11:43",""
"2022391","9.2252","0.0018","16.937","0.003","17.274","0.004","96.37","0.03","92.39","0.03","93.26","0.03","2674.9","1","100","","296.15","","","","","","","","","7","P -1","-P 1","2","","Poly[sodium [tetraaquahydroxidopentaoxido\ bis(μ-1,4,7,10-tetrazacyclododecane-1,4,7,10-tetraacetato)trieuropium(III)] chloride hydrate]","","- C32 H72.64 Cl Eu3 N8 Na O32.04 -","- C32 H73.54 Cl Eu3 N8 Na O31.86 -","- C64 H147.08 Cl2 Eu6 N16 Na2 O63.72 -","2","1","YD3018","Thomsen, Maria Storm; Madsen, Anders Ø.; Sørensen, Thomas Just","Crystal structure and optical properties of a two-sited Eu^III^ compound: an Eu^III^ ion coordinated by two [Eu^III^(DOTA)]^{-^} complexes (DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate)","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005647","","","0.71073","MoKα","","0.0813","0.0622","","","0.1576","0.1707","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","266390","2021-06-11","05:04:56",""
"2022392","9.99","0.003","10.7","0.004","11.016","0.004","80.865","0.016","73.669","0.019","82.3","0.02","1110.7","0.7","113.15","","113.15","","","","","","","","","3","P -1","-P 1","2","","3,3-Bis(naphthalen-1-yl)-3<i>H</i>-naphtho[2,1-<i>b</i>]pyran","","- C33 H22 O -","- C33 H22 O -","- C66 H44 O2 -","2","1","CU3171","Shi, Linqi; Sun, Zipei; Tian, Jiajie; Huang, Yaodong; Meng, Jiben","Study of naphthopyran derivatives: structure and photochromic properties in solution and in polymer film","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005969","","","0.71073","MoKα","","0.067","0.0404","","","0.0857","0.0927","","","","","","1.021","","","","has coordinates","266525","2021-06-17","05:19:00",""
"2022393","10.96","0.004","23.88","0.008","20.385","0.007","90","","103.941","0.005","90","","5178","3","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3-Bis([1,1'-biphenyl]-4-yl)-3<i>H</i>-naphtho[2,1-<i>b</i>]pyran","","- C37 H26 O -","- C37 H26 O -","- C296 H208 O8 -","8","2","CU3171","Shi, Linqi; Sun, Zipei; Tian, Jiajie; Huang, Yaodong; Meng, Jiben","Study of naphthopyran derivatives: structure and photochromic properties in solution and in polymer film","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621005969","","","0.71073","MoKα","","0.0855","0.0667","","","0.1776","0.192","","","","","","1.107","","","","has coordinates","266525","2021-06-17","05:19:00",""
"2022394","19.1347","0.0005","9.1227","0.0003","18.7937","0.0005","90","","102.092","0.002","90","","3207.84","0.16","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Oxido-bis[dichloridotris(tetrahydrofuran-κ<i>O</i>)titanium(III)]","","- C24 H48 Cl4 O7 Ti2 -","- C24 H48 Cl4 O7 Ti2 -","- C96 H192 Cl16 O28 Ti8 -","4","0.5","DG3018","Bloomfield, Hannah R.; Hollett, Joshua W.; Ritch, Jamie S.","Crystal structure and computational study of an oxo-bridged bis-titanium(III) complex","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006094","","","0.71073","MoKα","","0.1102","0.0727","","","0.1249","0.138","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","266589","2021-06-21","04:21:42",""
"2022395","11.062","0.004","8.369","0.003","27.406","0.006","90","","92.44","0.03","90","","2534.9","1.4","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Aquabromidobis[4-methyl-7-(pyrazin-2-yl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole]copper(II) bromide trihydrate","","- C16 H22 Br2 Cu N14 O4 -","- C16 H22 Br2 Cu N14 O4 -","- C64 H88 Br8 Cu4 N56 O16 -","4","1","JX3062","Parisi, Emmanuele; Centore, Roberto","Stabilization of an elusive tautomer by metal coordination","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006203","","x-ray","0.71073","MoKα","","0.0374","0.0327","","","0.0781","0.0808","","","","","","1.043","","","","has coordinates,has Fobs","266663","2021-06-24","04:49:29",""
"2022396","8.396","0.002","12.305","0.003","12.724","0.003","112.53","0.02","107.78","0.03","92.16","0.02","1138.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dibromido[4-methyl-7-(pyrazin-2-yl)-2<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole][4-methyl-7-(pyrazin-2-yl)-3<i>H</i>-[1,2,4]triazolo[3,2-<i>c</i>][1,2,4]triazole]zinc(II) monohydrate","","- C16 H16 Br2 N14 O Zn -","- C16 H16 Br2 N14 O Zn -","- C32 H32 Br4 N28 O2 Zn2 -","2","1","JX3062","Parisi, Emmanuele; Centore, Roberto","Stabilization of an elusive tautomer by metal coordination","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006203","","x-ray","0.71073","MoKα","","0.0773","0.0466","","","0.1213","0.1362","","","","","","1.089","","","","has coordinates,has Fobs","266663","2021-06-24","04:49:30",""
"2022397","13.4563","0.0012","10.7847","0.0009","15.5656","0.0013","90","","104.341","0.009","90","","2188.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Chloro-2-(2,6-diisopropylphenyl)-4,4-dimethyl-2-azaspiro[5.5]undecane-3,5-dione","","- C24 H34 Cl N O2 -","- C24 H34 Cl N O2 -","- C96 H136 Cl4 N4 O8 -","4","1","OV3151","Hudnall, Todd W.; Reinheimer, Eric W.; Dorsey, Christopher L.","Synthesis, crystal structure determination, and spectroscopic analyses of 1-chloro-2-(2,6-diisopropylphenyl)-4,4-dimethyl-2-azaspiro[5.5]undecane-3,5-dione: an unyielding precursor to a cyclic (alkyl)(amido)carbene","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006173","","x-ray","0.71073","MoKα","","0.0826","0.0489","","","0.1036","0.1198","","","","","","1.022","","","","has coordinates,has Fobs","266714","2021-06-26","05:42:16",""
"2022398","21.9761","0.0014","13.9179","0.0009","16.209","0.001","90","","111.189","0.002","90","","4622.5","0.5","200","2","200.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Sodium-serinol hexatungstoanitimonate","","- C6 H56 N2 Na5 O46 Sb W6 -","- C6 H56 N2 Na5 O46 Sb W6 -","- C24 H224 N8 Na20 O184 Sb4 W24 -","4","0.5","KY3204","Sifaki, Kleanthi; Gumerova, Nadiia I.; Giester, Gerald; Rompel, Annette","Synthesis and characterization of the Anderson‒Evans tungstoantimonate [Na~5~(H~2~O)~18~{(HOCH~2~)~2~CHNH~3~}~2~][SbW~6~O~24~]","Acta Crystallographica Section C","2021","77","7","","","10.1107/S2053229621006239","","","0.71073","MoKα","","0.0156","0.0131","","","0.0243","0.0246","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","266767","2021-06-29","05:24:50",""
"2022399","10.5897","0.0002","22.8595","0.0005","14.3102","0.0003","90","","92.524","0.002","90","","3460.78","0.12","136","2","136","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Tris[dimethyl 5-({1-[(pyridin-2-yl-κ<i>N</i>)carbamoyl-κ<i>O</i>]ethyl}carbamoyl)benzene-1,3-dicarboxylate]zinc(II) dinitrate acetonitrile trisolvate","","- C63 H66 N14 O24 Zn -","- C63 H66 N14 O24 Zn -","- C126 H132 N28 O48 Zn2 -","2","1","EF3020","Perić, Berislav; Kokan, Zoran; Kirin, Srećko I.","Induction of Λ-helicity in a zinc complex with an alanine-appended aminopyridine ligand","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006471","","","1.54184","CuKα","","0.0576","0.0538","","","0.1511","0.1549","","","","","","1.111","","","","has coordinates,has Fobs","267370","2021-07-08","05:16:17",""
"2022400","8.9645","0.0001","33.8111","0.0001","9.2237","0.0001","90","","98.698","0.001","90","","2763.55","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[3-(3'-Methyl-2',4'-dioxospiro[fluorene-9,5'-imidazolidin]-1'-yl)propyl]-4-phenylpiperazine-1,4-diium dichloride monohydrate","","- C29 H34 Cl2 N4 O3 -","- C29 H34 Cl2 N4 O3 -","- C116 H136 Cl8 N16 O12 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","1.54184","CuKα","","0.0356","0.034","","","0.093","0.0943","","","","","","1.07","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:27",""
"2022401","21.7033","0.0005","7.219","0.0002","16.821","0.0004","90","","103.464","0.002","90","","2563.02","0.11","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3'-Methyl-1'-{3-[4-(4-nitrophenyl)piperazin-1-yl]propyl}spiro[fluorene-9,5'-\ imidazolidine]-2',4'-dione monohydrate","","- C29 H31 N5 O5 -","- C29 H31 N5 O5 -","- C116 H124 N20 O20 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","0.71073","MoKα","","0.0685","0.049","","","0.119","0.1286","","","","","","1.026","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:28",""
"2022402","8.8799","0.0002","23.555","0.0005","13.2498","0.0003","90","","99.072","0.003","90","","2736.74","0.11","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3'-Methyl-1'-{5-[4-(4-nitrophenyl)piperazin-1-yl]pentyl}spiro[fluorene-9,5'-imidazolidine]-2',4'-dione","","- C31 H33 N5 O4 -","- C31 H33 N5 O4 -","- C124 H132 N20 O16 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","0.71073","MoKα","","0.0882","0.054","","","0.1263","0.1449","","","","","","1.053","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:28",""
"2022403","11.8717","0.0001","33.6944","0.0003","7.6888","0.0001","90","","102.259","0.001","90","","3005.46","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Benzyl-4-[5-(3'-methyl-2',4'-dioxospiro[fluorene-9,5'-imidazolidin]-1'-yl)pentyl]piperazine-1,4-diium dichloride 0.613-hydrate","","- C32 H39.23 Cl2 N4 O2.61 -","- C32 H39.226 Cl2 N4 O2.613 -","- C128 H156.904 Cl8 N16 O10.452 -","4","1","KY3205","Żesławska, Ewa; Szymańska, Ewa; Nitek, Wojciech; Handzlik, Jadwiga","Crystallographic studies of piperazine derivatives of 3-methyl-5-spirofluorenehydantoin in search of structural features of P-gp inhibitors","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621006756","","x-ray","1.54184","CuKα","","0.0394","0.0337","","","0.0838","0.0869","","","","","","1.032","","","","has coordinates,has Fobs","267419","2021-07-09","04:43:28",""
"2022404","9.8898","0.0001","15.8351","0.0002","16.4327","0.0001","111.84","0.001","99.655","0.001","104.689","0.001","2210.08","0.05","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","1,3,5-Triazinane-2,4,6-trithione‒4-(pyridin-4-ylsulfanyl)pyridine‒1,4-bis(pyridin-4-yl)tetrasulfane (2/2/1)","","- C36 H30 N12 S12 -","- C36 H30 N12 S12 -","- C72 H60 N24 S24 -","2","1","VP3018","Wzgarda-Raj, Kinga; Ksiażkiewicz, Olga; Palusiak, Marcin","A rare case of a 2:2:1 ternary cocrystal of pyridine sulfides and trithiocyanuric acid","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621007208","","","1.54184","CuKα","","0.0415","0.0395","","","0.104","0.1052","","","","","","1.06","","","","has coordinates,has Fobs","267665","2021-07-21","05:12:47",""
"2022405","8.0037","0.0004","12.1365","0.0006","13.4922","0.0006","104.697","0.001","103.023","0.001","106.619","0.001","1150.3","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(2-{4,5-Dimethoxy-2-[2-(2,3,4-trifluorophenyl)ethynyl]phenyl}ethynyl)-6-[2-(pyridin-2-yl)ethynyl]pyridine","","- C30 H17 F3 N2 O2 -","- C30 H17 F3 N2 O2 -","- C60 H34 F6 N4 O4 -","2","1","OV3152","Bosch, Eric; Bowling, Nathan P.; Oburn, Shalisa M.","Conformational control through co-operative nonconventional C—H···N hydrogen bonds","Acta Crystallographica Section C","2021","77","8","","","10.1107/S2053229621007427","","","0.71073","MoKα","","0.0645","0.0498","","","0.1265","0.1372","","","","","","1.038","","","","has coordinates,has Fobs","267764","2021-07-27","05:09:23",""
"2022406","13.7349","0.0011","5.0575","0.0004","16.08","0.0012","90","","109.02","0.007","90","","1056","0.15","120","2","120","2","","","","","","","","3","I 1 2 1","I 2y","5","","Isopropyl 3-deoxy-α-<it>D</it>-<i>ribo</i>-hexopyranoside","","- C9 H18 O5 -","- C9 H18 O5 -","- C36 H72 O20 -","4","1","QF3048","Lin, Jieye; Oliver, Allen G.; Meredith, Reagan J.; Carmichael, Ian; Serianni, Anthony S.","Isopropyl 3-deoxy-α-<small>D</small>-<i>ribo</i>-hexopyranoside (isopropyl 3-deoxy-α-<small>D</small>-glucopyranoside): evaluating trends in structural parameters","Acta Crystallographica Section C","2021","77","8","","","10.1107/S205322962100749X","","","1.54184","CuKα","","0.0431","0.0413","","","0.1028","0.1049","","","","","","1.075","","","","has coordinates,has Fobs","267784","2021-07-28","05:29:56",""
"2022407","8.144","0.0005","8.4565","0.0005","14.9945","0.0008","87.549","0.002","79.926","0.002","68.467","0.002","945.52","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-fluoro-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C23 H21 F N2 O4 -","- C23 H21 F N2 O4 -","- C46 H42 F2 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.0503","0.0373","","","0.086","0.0953","","","","","","1.042","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:06",""
"2022408","8.1874","0.0006","8.5015","0.0006","15.5775","0.0012","85.775","0.003","77.641","0.003","68.022","0.002","982.15","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.053","0.0396","","","0.0908","0.0976","","","","","","1.029","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:07",""
"2022409","8.6535","0.0004","9.2064","0.0004","14.4327","0.0006","72.66","0.001","74.539","0.001","65.93","0.002","988.16","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-1-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.0488","0.0385","","","0.0914","0.0982","","","","","","1.035","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:07",""
"2022410","8.7914","0.0009","9.3155","0.001","14.6188","0.0015","73.437","0.004","76.259","0.004","64.156","0.003","1023.83","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-5-chloro-1-methyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C24 H23 Cl N2 O4 -","- C24 H23 Cl N2 O4 -","- C48 H46 Cl2 N4 O8 -","2","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.039","0.0327","","","0.0768","0.0812","","","","","","1.026","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:08",""
"2022411","11.0442","0.0004","17.4707","0.0006","13.0081","0.0004","90","","90.215","0.001","90","","2509.89","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1'<i>SR</i>,2'<i>SR</i>,3<i>RS</i>,8a'<i>RS</i>)-2'-Benzoyl-1-hexyl-2-oxo-1',5',6',7',8',8a'-hexahydro-2'<i>H</i>-spiro[indoline-3,3'-indolizine]-1'-carboxylic acid","","- C29 H34 N2 O4 -","- C29 H34 N2 O4 -","- C116 H136 N8 O16 -","4","1","KY3207","Romo, Pablo E.; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher","Synthesis and spectroscopic and structural characterization of spiro[indoline-3,3′-indolizine]s formed by 1,3-dipolar cycloadditions between isatins, pipecolic acid and an electron-deficient alkene","Acta Crystallographica Section C Structural Chemistry","2021","77","9","","","10.1107/S2053229621007142","","","0.71073","MoKα","","0.0584","0.0428","","","0.0941","0.1024","","","","","","1.033","","","","has coordinates,has Fobs","267986","2021-08-07","04:20:08",""
"2022412","4.97902","0.00015","18.5654","0.0005","19.1368","0.0003","89.5065","0.0018","84.322","0.002","89.375","0.002","1760.12","0.08","160","2","160","2","","","","","","","","3","P -1","-P 1","2","umuhengerin","5-Hydroxy-6,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","2","OV3154","Toklo, Placide M.; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F.; Gbenou, Joachim D.","Anthelmintic flavonoids and other compounds from <i>Combretum glutinosum</i> Perr. ex DC (Combretaceae) leaves","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621007841","","x-ray","1.54184","CuKα","","0.0651","0.0467","","","0.1044","0.1129","","","","","","1.049","","","","has coordinates,has Fobs","267987","2021-08-07","04:21:12",""
"2022413","6.37386","0.00006","12.10746","0.00011","33.8928","0.0003","90","","90","","90","","2615.55","0.04","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(20S,24R)-ocotillone","(5<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>R</i>,13<i>R</i>,14<i>R</i>,17<i>S</i>)-17-[(2<i>S</i>,5<i>R</i>)-5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[<i>a</i>]phenanthren-3-one","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","OV3154","Toklo, Placide M.; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F.; Gbenou, Joachim D.","Anthelmintic flavonoids and other compounds from <i>Combretum glutinosum</i> Perr. ex DC (Combretaceae) leaves","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621007841","","x-ray","1.54184","CuKα","","0.033","0.0322","","","0.0883","0.0892","","","","","","1.03","","","","has coordinates,has Fobs","267987","2021-08-07","04:21:13",""
"2022414","13.081","0.002","14.96","0.003","31.017","0.004","82.52","0.02","87.24","0.02","69.51","0.02","5637.4","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ~6~-Aqua)(μ~3~-propan-2-ol)pentakis(μ~3~-triphenylsilanolato)(μ~2~-triphenylsilanolato)hexapotassium toluene disolvate","","- C125 H116 K6 O8 Si6 -","- C125 H116 K6 O8 Si6 -","- C250 H232 K12 O16 Si12 -","2","1","JX3064","Wytrych, Patrycja; Utko, Józef; Lis, Tadeusz; John, Łukasz","Polyoxometalate-like structure of new potassium triphenylsiloxides: [K~6~(OSiPh~3~)~6~(C~3~H~7~OH)(H~2~O)]·2C~6~H~5~CH~3~ and [K~6~(OSiPh~3~)~6~(H~2~O)~2~]","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008160","","x-ray","1.54184","CuKα","","0.09","0.0766","","","0.2122","0.2207","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","268119","2021-08-18","01:58:37",""
"2022415","12.7633","0.0007","14.7076","0.0008","28.183","0.003","89.61","0.02","78.98","0.02","73.26","0.02","4966.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(μ~4~-Aqua)(μ~3~-aqua)pentakis(μ~3~-triphenylsilanolato)(μ~2~-triphenylsilanolato)hexapotassium","","- C108 H94 K6 O8 Si6 -","- C108 H94 K6 O8 Si6 -","- C216 H188 K12 O16 Si12 -","2","1","JX3064","Wytrych, Patrycja; Utko, Józef; Lis, Tadeusz; John, Łukasz","Polyoxometalate-like structure of new potassium triphenylsiloxides: [K~6~(OSiPh~3~)~6~(C~3~H~7~OH)(H~2~O)]·2C~6~H~5~CH~3~ and [K~6~(OSiPh~3~)~6~(H~2~O)~2~]","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008160","","","1.54184","CuKα","","0.054","0.0518","","","0.1221","0.1235","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","268119","2021-08-18","01:58:38",""
"2022416","17.1109","0.0004","17.1109","0.0004","5.4205","0.0002","90","","90","","120","","1374.41","0.07","296","2","296","2","","","","","","","","5","P 31","P 31","144","","2-({2-[(4<i>S</i>)-4-Phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C21 H16 F3 N3 O -","- C21 H16 F3 N3 O -","- C63 H48 F9 N9 O3 -","3","1","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0578","0.0413","","","0.1129","0.1241","","","","","","1.049","","","","has coordinates,has disorder","268133","2021-08-19","01:42:49",""
"2022417","7.9933","0.0002","24.1126","0.0005","9.1926","0.0002","90","","105.003","0.002","90","","1711.38","0.07","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-({5-Fluoro-2-[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C18 H17 F4 N3 O -","- C18 H17 F4 N3 O -","- C72 H68 F16 N12 O4 -","4","2","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0592","0.0474","","","0.1314","0.1359","","","","","","1.028","","","","has coordinates,has disorder","268133","2021-08-19","01:42:50",""
"2022418","4.933","0.0005","10.9919","0.0006","17.4202","0.0014","90","","94.718","0.008","90","","941.38","0.13","296.6","0.3","296.6","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","2-({2-[(3a<i>R</i>,8a<i>S</i>)-8,8a-Dihydro-3a<i>H</i>-indeno[1,2-<i>d</i>]oxazol-2-yl]phenyl}amino)-5-(trifluoromethyl)pyridine","","- C22 H16 F3 N3 O -","- C22 H16 F3 N3 O -","- C44 H32 F6 N6 O2 -","2","1","WV3005","Wolińska, Ewa; Wysocki, Waldemar; Branowska, Danuta; Karczmarzyk, Zbigniew","Synthesis and structures of three new pyridine-containing oxazoline ligands of complexes for asymmetric catalysis","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008202","","x-ray","1.54184","CuKα","","0.0606","0.0563","","","0.1537","0.1584","","","","","","1.072","","","","has coordinates","268133","2021-08-19","01:42:50",""
"2022419","7.4417","0.0001","9.8831","0.0001","43.0002","0.0006","90","","92.742","0.001","90","","3158.92","0.07","90","2","90","2","","","","","","","","2","P 1 21 1","P 2yb","4","Form I","5α,14α-Androstane, Form I","","- C19 H32 -","- C19 H32 -","- C152 H256 -","8","4","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0461","0.0445","","","0.1289","0.1328","","","","","","1.087","","","","has coordinates,has Fobs","268157","2021-08-21","01:46:31",""
"2022420","7.1699","0.0001","22.148","0.0003","29.8734","0.0005","90","","90","","90","","4743.86","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5α,14α-Androstane, Form II w/ impurity","5α,14α-Androstane, Form II w/ impurity","","- C57 H94 O -","- C57 H94 O -","- C228 H376 O4 -","4","1","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0478","0.0445","","","0.1106","0.1122","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","268157","2021-08-21","01:46:32",""
"2022421","7.1465","0.0001","22.2064","0.0001","30.0679","0.0001","90","","90","","90","","4771.72","0.07","90","2","90","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Androstane Form II Pure","5α,14α-Androstane","","- C19 H32 -","- C19 H32 -","- C228 H384 -","12","3","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0305","0.0301","","","0.0797","0.0799","","","","","","1.034","","","","has coordinates,has Fobs","268157","2021-08-21","01:46:32",""
"2022422","10.6835","0.0015","12.8042","0.0018","15.795","0.002","77.614","0.003","75.849","0.003","70.332","0.003","1952.1","0.5","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","(Triphenylmethoxo){tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>''}iron(II)","","- C40 H53 B Fe O S3 -","- C40 H53 B Fe O S3 -","- C80 H106 B2 Fe2 O2 S6 -","2","1","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","x-ray","0.71073","MoKα","","0.0977","0.055","","","0.1093","0.1299","","","","","","0.976","","","","has coordinates,has Fobs","268181","2021-08-24","01:55:43",""
"2022423","11.496","0.0019","15.036","0.002","36.375","0.006","90","","91.664","0.002","90","","6284.9","1.7","200","2","200.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2,6-Dimethylphenolato){tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>',<i>S</i>''}iron(II)","","- C29 H47 B Fe O S3 -","- C29 H47 B Fe O S3 -","- C232 H376 B8 Fe8 O8 S24 -","8","1","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","x-ray","0.71073","MoKα","","0.0338","0.0325","","","0.0782","0.0791","","","","","","1.119","","","","has coordinates,has disorder,has Fobs","268181","2021-08-24","01:55:47",""
"2022424","10.359","0.003","13.084","0.004","13.98","0.004","71.048","0.005","87.964","0.005","82.954","0.005","1778.5","0.9","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","Bis{μ-tris[(<i>tert</i>-butylsulfanyl)methyl]phenylborato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>''}bis[(phenolato-κ<i>O</i>)iron(II)] toluene disolvate","","- C68 H102 B2 Fe2 O2 S6 -","- C68 H102 B2 Fe2 O2 S6 -","- C68 H102 B2 Fe2 O2 S6 -","1","0.5","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","x-ray","0.71073","MoKα","","0.1045","0.0697","","","0.1719","0.1994","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","268181","2021-08-24","01:55:56",""
"2022425","14.409","0.004","9.494","0.002","18.745","0.005","90","","90.938","0.004","90","","2564","1.1","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis{μ-tris[(<i>tert</i>-butylsulfanyl)methyl](2-oxidophenolato)borato-κ<i>O</i>,<i>O</i>',<i>S</i>,<i>S</i>':<i>O</i>'}dicobalt(II)","","- C42 H74 B2 Co2 O4 S6 -","- C42 H74 B2 Co2 O4 S6 -","- C84 H148 B4 Co4 O8 S12 -","2","0.5","YO3080","Wang, Peng; Yap, Glenn P. A.; Riordan, Charles G.","Iron(II)‒alkoxide and ‒aryloxide complexes of a tris(thioether)borate ligand: synthesis, molecular structures, and implications on the origin of instability of their iron(II)‒catecholate counterpart","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008500","","","0.71073","MoKα","","0.0984","0.0466","","","0.0923","0.1118","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","268181","2021-08-24","01:55:59",""
"2022426","7.3192","0.0014","8.2802","0.0008","31.3093","0.0004","90","","90.162","0.002","90","","1897.5","0.4","170","","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Fluoranthene‒1,2,4,5-tetracyanobenzene (1/1)","Fluoranthene‒benzene-1,2,4,5-tetracarbonitrile (1/1)","","- C26 H12 N4 -","- C26 H12 N4 -","- C104 H48 N16 -","4","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.1332","0.0607","","","0.1068","0.1377","","","","","","1.064","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:00",""
"2022427","15.4617","0.0012","7.0577","0.0006","16.9113","0.0016","90","","95.095","0.003","90","","1838.1","0.3","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Fluoranthene‒tetrafluoroterephthalonitrile (1/1)","Fluoranthene‒2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile (1/1)","","- C24 H10 F4 N2 -","- C24 H10 F4 N2 -","- C96 H40 F16 N8 -","4","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.123","0.0561","","","0.1187","0.1541","","","","","","1.01","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:01",""
"2022428","6.773","0.001","14.323","0.002","10.02","0.0014","90","","99.732","0.004","90","","958","0.2","170","","170","","","","","","","","","3","P 1 21 1","P 2yb","4","Fluoranthene‒octafluoronaphthalene (1/1)","Fluoranthene‒1,2,3,4,5,6,7,8-octafluoronaphthalene (1/1)","","- C26 H10 F8 -","- C26 H10 F8 -","- C52 H20 F16 -","2","1","DG3020","Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin","Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008652","","","0.71073","MoKα","","0.1449","0.0654","","","0.1052","0.1397","","","","","","1.049","","","","has coordinates,has Fobs","268199","2021-08-25","01:59:01",""
"2022429","8.6256","0.0012","9.668","0.0013","30.557","0.004","90","","90","","90","","2548.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Quininium aspirinate","(<i>R</i>)-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol 2-acetoxybenzoate","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C116 H128 N8 O24 -","4","1","EP3016","Harris, Nehemiah; Benedict, Jubilee; Dickie, Diane A.; Pagola, Silvina","Mechanochemical synthesis insights and solid-state characterization of quininium aspirinate, a glass-forming drug‒drug salt","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008275","","","0.71073","MoKα","","0.058","0.0399","","","0.0739","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","268225","2021-08-26","02:02:25",""
"2022430","9.7415","0.0006","16.3378","0.0008","9.6396","0.0005","90","","91.68","0.002","90","","1533.53","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","4,4',4'',4'''-(Cyclobutane-1,2,3,4-tetrayl)tetrapyridinium bis(sulfate) octahydrate","","- C24 H40 N4 O16 S2 -","- C24 H40 N4 O16 S2 -","- C48 H80 N8 O32 S4 -","2","0.5","OV3153","Santana, Carlos L.; Reinheimer, Eric W.; Groeneman, Ryan H.","Square network based upon the molecular salt of the tetraprotonated photoproduct <i>rtct</i>-tetrakis(pyridin-4-yl)cyclobutane and the sulfate anion","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008597","","","0.71073","MoKα","","0.0337","0.0331","","","0.0883","0.0887","","","","","","1.016","","","","has coordinates,has Fobs","268226","2021-08-26","02:02:53",""
"2022431","21.243","0.004","18.997","0.004","21.743","0.004","90","","118.6","0.03","90","","7704","3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]diantimony(I)(2 <i>Sb</i>—<i>Sb</i>) tetrahydrofuran heptasolvate","","- C78 H126 N4 O7 Sb2 -","- C78 H126 N4 O7 Sb2 -","- C312 H504 N16 O28 Sb8 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","Synchrotron","","0.1045","0.0914","","","0.2653","0.2713","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","268227","2021-08-26","02:04:36",""
"2022432","18.443","0.004","20.455","0.004","12.817","0.003","90","","97.46","0.03","90","","4794.3","1.8","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]chloridoantimony(III)","","- C50 H70 Cl N4 Sb -","- C50 H70 Cl N4 Sb -","- C200 H280 Cl4 N16 Sb4 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","Synchrotron","","0.0295","0.0286","","","0.0727","0.0732","","","","","","1.076","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:36",""
"2022433","18.7239","0.0014","20.5497","0.0017","12.9785","0.001","90","","96.886","0.004","90","","4957.7","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]bromidoantimony(III)","","- C50 H70 Br N4 Sb -","- C50 H70 Br N4 Sb -","- C200 H280 Br4 N16 Sb4 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","MoKα","","0.0821","0.0398","","","0.0855","0.1024","","","","","","1.01","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022434","18.616","0.002","20.713","0.002","12.9942","0.0013","90","","96.75","0.005","90","","4975.7","0.9","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinato]iodidoantimony(III)","","- C50 H70 I N4 Sb -","- C50 H70 I N4 Sb -","- C200 H280 I4 N16 Sb4 -","4","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","MoKα","","0.0917","0.0452","","","0.0972","0.1179","","","","","","1.01","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022435","10.105","0.002","10.332","0.002","14.24","0.003","96.69","0.03","103.93","0.03","111.72","0.03","1305.2","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)formamidinato]dibromidoantimony(III)","","- C25 H35 Br2 N2 Sb -","- C25 H35 Br2 N2 Sb -","- C50 H70 Br4 N4 Sb2 -","2","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","Synchrotron","","0.029","0.0282","","","0.0746","0.0751","","","","","","1.072","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022436","10.4137","0.0004","10.5559","0.0004","14.6097","0.0005","95.876","0.002","104.946","0.002","111.754","0.002","1405.65","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","[<i>N</i>,<i>N</i>'-Bis(2,6-diisopropylphenyl)formamidinato]diiodidoantimony(III)","","- C25 H35 I2 N2 Sb -","- C25 H35 I2 N2 Sb -","- C50 H70 I4 N4 Sb2 -","2","1","EP3019","Al-Dabbagh, Areej; Guo, Zhifang; Junk, Peter; Wang, Jun","Synthesis and characterization of a range of antimony(I/III) <i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)formamidinate complexes","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008512","","","0.71073","MoKα","","0.0885","0.071","","","0.2052","0.2265","","","","","","1.039","","","","has coordinates,has Fobs","268227","2021-08-26","02:04:37",""
"2022437","17.6783","0.0014","17.2647","0.0014","16.383","0.002","90","","121.867","0.003","90","","4246.6","0.7","100","2","100","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Hexa-μ~2~-azido-di-μ~3~-chlorido-hexa-μ~2~-hydroxido-di-μ~3~-oxido-hexakis(pentamethylcyclopentadienyl)hexathorium‒diethyl ether‒tetrahydrofuran (1/0.56/1.44)","","- C68 H113.12 Cl2 N18 O10 Th6 -","- C67.28 H111.12 Cl2 N18 O9.28 Th6 -","- C134.56 H222.24 Cl4 N36 O18.56 Th12 -","2","0.25","ZL5025","Kelley, Steven P.; Rungthanaphatsophon, Pokpong; Walensky, Justin R.","Crystal structure of [Th3(Cp*)3(O)(OH)3]2Cl2(N3)6: a discrete molecular capsule built from multinuclear organothorium cluster cations","Acta Crystallographica Section E Crystallographic Communications","2021","77","10","","","10.1107/S2056989021008914","","","0.71073","MoKα","","0.0361","0.0266","","","0.0529","0.0563","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","269047","2021-09-08","02:07:08",""
"2022438","12.1701","0.0004","7.9283","0.0003","14.3228","0.0004","90","","98.898","0.001","90","","1365.35","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethylthiourea‒1,2-diiodo-3,4,5,6-tetrafluorobenzene (1/1)","","- C9 H8 F4 I2 N2 S -","- C9 H8 F4 I2 N2 S -","- C36 H32 F16 I8 N8 S4 -","4","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0161","0.015","","","0.0318","0.0323","","","","","","1.111","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:23",""
"2022439","8.5853","0.0005","11.6911","0.0007","23.4148","0.0017","90","","90","","90","","2350.2","0.3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Thiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1)","","- C7 H4 F4 I2 N2 S -","- C7 H4 F4 I2 N2 S -","- C56 H32 F32 I16 N16 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.021","0.0189","","","0.044","0.0458","","","","","","1.105","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:23",""
"2022440","7.1432","0.0006","7.8452","0.0006","13.7688","0.0012","83.922","0.003","76.598","0.003","69.092","0.003","700.94","0.1","100","2","100","","","","","","","","","6","P -1","-P 1","2","","1,3-Dimethylthiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene (1/1)","","- C9 H8 F4 I2 N2 S -","- C9 H8 F4 I2 N2 S -","- C18 H16 F8 I4 N4 S2 -","2","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0274","0.0205","","","0.0419","0.0469","","","","","","1.272","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022441","19.3088","0.0013","7.3062","0.0005","22.8048","0.0015","90","","93.93","0.004","90","","3209.6","0.4","100","2","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene‒methanol (1/1/1)","","- C10 H12 F4 I2 N2 O S -","- C10 H12 F4 I2 N2 O S -","- C80 H96 F32 I16 N16 O8 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0152","0.0149","","","0.0331","0.0332","","","","","","1.314","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022442","20.3027","0.0006","7.5161","0.0002","22.5373","0.0007","90","","93.872","0.001","90","","3431.28","0.17","100","2","100.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,3-diiodo-2,4,5,6-tetrafluorobenzene‒ethanol (1/1/1)","","- C11 H14 F4 I2 N2 O S -","- C11 H14 F4 I2 N2 O S -","- C88 H112 F32 I16 N16 O8 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0213","0.0179","","","0.0381","0.0402","","","","","","1.067","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022443","26.134","0.003","7.4435","0.0007","14.732","0.0015","90","","104.65","0.004","90","","2772.6","0.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,4-diiodo-2,3,5,6-tetrafluorobenzene (1/1)","","- C9 H8 F4 I2 N2 S -","- C9 H8 F4 I2 N2 S -","- C72 H64 F32 I16 N16 S8 -","8","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0187","0.0168","","","0.035","0.0356","","","","","","1.166","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022444","7.5014","0.0006","9.1065","0.0008","11.8534","0.001","79.871","0.003","83.011","0.003","74.41","0.003","765.41","0.11","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","1,3-Dimethylthiourea‒1,3,5-trifluoro-2,4,6-triiodobenzene (1/1)","","- C9 H8 F3 I3 N2 S -","- C9 H8 F3 I3 N2 S -","- C18 H16 F6 I6 N4 S2 -","2","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0108","0.0105","","","0.0242","0.0244","","","","","","1.103","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:24",""
"2022445","22.3783","0.0003","4.32943","0.00005","14.67541","0.00019","90","","107.243","0.0014","90","","1357.93","0.03","99.9","0.5","99.9","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Dimethylthiourea‒1,1,2,2-tetraiodoethene (1/1)","","- C5 H8 I4 N2 S -","- C5 H8 I4 N2 S -","- C20 H32 I16 N8 S4 -","4","0.5","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","x-ray","0.71073","MoKα","","0.0154","0.0151","","","0.0365","0.0366","","","","","","1.234","","","","has coordinates,has disorder,has Fobs","269097","2021-09-11","01:56:24",""
"2022446","7.7715","0.0001","12.3862","0.0001","14.129","0.0001","78.476","0.001","79.61","0.001","74.766","0.001","1273.99","0.02","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","[(Dimethylamino)methylidene](1,2,2-triiodoethenyl)sulfonium iodide‒1,1,2,2-tetraiodoethene‒acetone (1/1/1)","","- C10 H14 I8 N2 O S -","- C10 H14 I8 N2 O S -","- C20 H28 I16 N4 O2 S2 -","2","1","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","x-ray","0.71073","MoKα","","0.034","0.022","","","0.0385","0.0473","","","","","","1.18","","","","has coordinates,has disorder,has Fobs","269097","2021-09-11","01:56:24",""
"2022447","7.813","0.004","30.677","0.012","9.085","0.005","90","","113.429","0.015","90","","1998","1.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methyl-1,3-thiazol-3-ium iodide‒1,1,2,2-tetraiodoethene (2/3)","","- C14 H14 I14 N4 S2 -","- C14 H14 I14 N4 S2 -","- C28 H28 I28 N8 S4 -","2","0.5","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0202","0.0176","","","0.0366","0.0378","","","","","","1.104","","","","has coordinates,has Fobs","269097","2021-09-11","01:56:25",""
"2022448","7.6879","0.0001","16.2822","0.0003","19.0763","0.0003","90","","94.074","0.001","90","","2381.86","0.07","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4-Dimethyl-4<i>H</i>-1,3,5-thiadiazine-3,5-diium diiodide‒1,1,2,2-tetraiodoethene (2/3)","","- C16 H24 I16 N8 S2 -","- C16 H24 I16 N8 S2 -","- C32 H48 I32 N16 S4 -","2","0.5","VP3021","Peloquin, Andrew J.; Ragusa, Arianna C.; McMillen, Colin D.; Pennington, William T.","The reaction of thiourea and 1,3-dimethylthiourea towards organoiodines: oxidative bond formation and halogen bonding","Acta Crystallographica Section C","2021","77","10","","","10.1107/S205322962100869X","","","0.71073","MoKα","","0.0284","0.0234","","","0.0469","0.0485","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","269097","2021-09-11","01:56:25",""
"2022449","10.0692","0.0003","14.3797","0.0004","17.3124","0.0004","89.98","0.002","80.578","0.002","75.145","0.002","2387.95","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris(diethyldithiocarbamato-κ<i>S</i>)antimony(III)","","- C15 H30 N3 S6 Sb -","- C15 H30 N3 S6 Sb -","- C60 H120 N12 S24 Sb4 -","4","2","CU3175","Ng, Seik Weng","Resolvable polymorphism in an intergrowth of two modifications of tris(diethyldithiocarbamato)antimony","Acta Crystallographica Section C","2021","77","10","610","614","10.1107/S205322962100886X","","","0.71073","MoKα","","0.0696","0.0425","","","0.0736","0.0871","","","","","","0.999","","","","has coordinates,has Fobs","271916","2022-01-06","23:32:39",""
"2022450","12.4204","0.001","13.5117","0.001","14.6614","0.0011","90","","99.832","0.008","90","","2424.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(diethyldithiocarbamato-κ<i>S</i>)antimony(III)","","- C15 H30 N3 S6 Sb -","- C15 H30 N3 S6 Sb -","- C60 H120 N12 S24 Sb4 -","4","1","CU3175","Ng, Seik Weng","Resolvable polymorphism in an intergrowth of two modifications of tris(diethyldithiocarbamato)antimony","Acta Crystallographica Section C","2021","77","10","610","614","10.1107/S205322962100886X","","","0.71073","MoKα","","0.1124","0.0566","","","0.0825","0.1069","","","","","","1.001","","","","has coordinates,has Fobs","271916","2022-01-06","23:32:39",""
"2022451","25.725","0.004","5.0236","0.0009","17.274","0.003","90","","127.393","0.004","90","","1773.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua[μ~4~-1'-carboxy-3,3'-(diazene-1,2-diyl)dibenzene-1,2,2'-tricarboxylato]gadolinium(III)","","- C16 H11 Gd N2 O10 -","- C16 H11 Gd N2 O10 -","- C64 H44 Gd4 N8 O40 -","4","0.5","CU3174","Wei, Wen-Wen; Lu, Li-Ping; Feng, Si-Si; Zhu, Miao-Li; Englert, Ulli","Synthesis, structure and magnetocaloric properties of a new two-dimensional gadolinium(III) coordination polymer based on azobenzene-2,2',3,3'-tetracarboxylic acid","Acta Crystallographica Section C","2021","77","10","591","598","10.1107/S2053229621008871","","","0.71073","MoKα","","0.0139","0.0128","","","0.0332","0.0336","","","","","","1.105","","","","has coordinates,has Fobs","271918","2022-01-06","23:32:57",""
"2022452","29.3337","0.0013","29.3337","0.0013","7.3922","0.0006","90","","90","","120","","5508.6","0.6","297","2","297.15","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","1-Methyltryptammonium chloride","2-(1-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C198 H270 Cl18 N36 -","18","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0441","0.0376","","","0.0979","0.103","","","","","","1.033","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:14",""
"2022453","10.399","0.0006","16.3016","0.001","37.091","0.002","90","","97.963","0.002","90","","6227.1","0.6","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Methyl-1-phenyltryptammonium chloride","2-(2-Methyl-1-phenyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C17 H19 Cl N2 -","- C17 H19 Cl N2 -","- C272 H304 Cl16 N32 -","16","4","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0886","0.0542","","","0.115","0.1301","","","","","","1.076","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:14",""
"2022454","14.6858","0.0008","8.3613","0.0004","9.7878","0.0005","90","","102.742","0.002","90","","1172.27","0.1","297","2","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Methoxytryptammonium chloride","2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 O -","- C11 H15 Cl N2 O -","- C44 H60 Cl4 N8 O4 -","4","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0447","0.0345","","","0.0894","0.0982","","","","","","1.034","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022455","8.6153","0.0006","9.3766","0.0005","29.173","0.002","90","","90","","90","","2356.7","0.3","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Bromotryptammonium chloride","2-(5-Bromo-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Br Cl N2 -","- C10 H12 Br Cl N2 -","- C80 H96 Br8 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0622","0.0473","","","0.0897","0.0964","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022456","14.703","0.0009","8.6058","0.0005","9.4141","0.0005","90","","106.45","0.002","90","","1142.42","0.11","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Chlorotryptammonium chloride","2-(5-Chloro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl2 N2 -","- C10 H12 Cl2 N2 -","- C40 H48 Cl8 N8 -","4","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0501","0.0361","","","0.0787","0.0871","","","","","","1.049","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022457","8.6708","0.0004","9.6684","0.0005","25.6854","0.0012","90","","90","","90","","2153.28","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","5-Fluorotryptammonium chloride","2-(5-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0492","0.0411","","","0.0937","0.0992","","","","","","1.078","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022458","14.9939","0.001","8.427","0.0005","9.5388","0.0006","90","","107.774","0.002","90","","1147.73","0.13","297","2","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","5-Methyltryptammonium chloride","2-(5-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C44 H60 Cl4 N8 -","4","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0607","0.0492","","","0.1396","0.1476","","","","","","1.154","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022459","8.3572","0.0004","10.3493","0.0005","24.3824","0.0013","90","","90","","90","","2108.86","0.18","297","2","297.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","6-Fluorotryptammonium chloride","2-(6-Fluoro-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C10 H12 Cl F N2 -","- C10 H12 Cl F N2 -","- C80 H96 Cl8 F8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0424","0.0368","","","0.0891","0.0928","","","","","","1.147","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022460","9.1893","0.0005","9.3259","0.0004","27.5149","0.0015","90","","90","","90","","2358","0.2","297","2","297.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","7-Methyltryptammonium chloride","2-(7-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride","","- C11 H15 Cl N2 -","- C11 H15 Cl N2 -","- C88 H120 Cl8 N16 -","8","1","YP3219","Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","The crystalline forms of nine hydrochloride salts of substituted tryptamines","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621008950","","","0.71073","MoKα","","0.0538","0.039","","","0.0837","0.0907","","","","","","1.064","","","","has coordinates,has Fobs","269100","2021-09-11","02:00:15",""
"2022461","8.0616","0.0005","17.8873","0.0008","9.5504","0.0004","90","","95.49","0.004","90","","1370.85","0.12","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-(2-Methyl-5-nitrophenyl)-4-(pyridin-2-yl)pyrimidin-2-amine","","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C64 H52 N20 O8 -","4","1","EQ3001","Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Kennedy, Alan R.","Synthesis, spectroscopic characterization, structural studies, thermal analysis and molecular docking of <i>N</i>-(2-methyl-5-nitrophenyl)-4-(pyridin-2-yl)pyrimidin-2-amine, a precursor for drug design against chronic myeloid leukemia","Acta Crystallographica Section C","2021","77","10","","","10.1107/S2053229621009487","","","1.54184","CuKα","","0.0494","0.043","","","0.1167","0.1233","","","","","","1.014","","","","has coordinates,has Fobs","269281","2021-09-24","01:56:54",""
"2022462","8.4226","0.0005","13.4978","0.0008","15.206","0.0008","74.26","0.002","82.358","0.002","75.781","0.002","1608.84","0.16","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis(4-{[3-(pyridin-2-yl-κ<i>N</i>)-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^]methyl}benzoic acid)copper(II) methanol sesquisolvate hemihydrate","","- C31.5 H29 Cl2 Cu N6 O6 -","- C31.5 H29 Cl2 Cu N6 O6 -","- C63 H58 Cl4 Cu2 N12 O12 -","2","1","KY3208","Li, Xinhua; Niu, Mengyuan; Wang, Ai; Lu, Liping; Englert, Ulli; Feng, Sisi; Zhang, Lizhen; Yuan, Caixia","Synthesis, structure and <i>in vitro</i> biological properties of a new copper(II) complex with 4-{[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]methyl}benzoic acid","Acta Crystallographica Section C","2021","77","10","641","648","10.1107/S2053229621009748","","","0.71073","MoKα","","0.0839","0.0481","","","0.0977","0.1116","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","271915","2022-01-06","23:32:18",""
"2022463","13.691","0.0004","11.2468","0.0002","10.3665","0.0002","90","","106.98","0.003","90","","1526.65","0.06","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(2-methylphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 Se -","- C18 H16 N2 Se -","- C72 H64 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","x-ray","0.71073","MoKα","","0.0488","0.034","","","0.0766","0.0853","","","","","","1.051","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022464","8.477","0.0007","19.618","0.0015","9.803","0.0009","90","","108.025","0.005","90","","1550.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(3-methylphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 Se -","- C18 H16 N2 Se -","- C72 H64 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","","0.71073","MoKα","","0.105","0.0687","","","0.1161","0.1274","","","","10.686","10.686","1.083","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022465","12.252","0.0003","12.293","0.0003","10.405","0.0003","90","","92.516","0.002","90","","1565.63","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-1-(4-methylphenyl)-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C18 H16 N2 Se -","- C18 H16 N2 Se -","- C72 H64 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","","0.71073","MoKα","","0.0354","0.0273","","","0.0663","0.07","","","","23.303","23.303","1.038","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022466","13.778","0.0002","11.405","0.0002","10.402","0.0003","90","","105.828","0.001","90","","1572.58","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound X","1-(4-Chlorophenyl)-4-methyl-6-phenylpyrimidine-2(1<i>H</i>)-selenone","","- C17 H13 Cl N2 Se -","- C17 H13 Cl N2 Se -","- C68 H52 Cl4 N8 Se4 -","4","1","KY3209","Korona-Głowniak, Izabela; Nitek, Wojciech; Tejchman, Waldemar; Żesławska, Ewa","Influence of chlorine and methyl substituents and their position on the antimicrobial activities and crystal structures of 4-methyl-1,6-diphenylpyrimidine-2(1<i>H</i>)-selenone derivatives","Acta Crystallographica Section C","2021","77","10","649","658","10.1107/S205322962100975X","","","0.71073","MoKα","","0.0271","0.0222","","","0.0534","0.0557","","","","","","1.05","","","","has coordinates,has Fobs","271917","2022-01-06","23:32:49",""
"2022467","4.625","0.0001","24.0147","0.0007","7.6617","0.0002","90","","105.595","0.001","90","","819.64","0.04","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","Methyl β-<i>D</i>-galactopyranosyl-(1\ρightarrow4)-β-<i>D</i>-glucopyranoside monohydrate","Methyl β-lactoside monohydrate","","- C13 H26 O12 -","- C13 H26 O12 -","- C26 H52 O24 -","2","1","EQ3002","Lin, Jieye; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-lactoside [methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-glucopyranoside] monohydrate: a solvomorphism study","Acta Crystallographica Section C","2021","77","10","668","674","10.1107/S2053229621009499","","","1.54178","CuKα","","0.0263","0.0261","","","0.0704","0.0706","","","","","","1.037","","","","has coordinates,has Fobs","269399","2021-09-30","02:20:38",""
"2022468","6.5324","0.0003","10.6141","0.0008","14.1675","0.0009","80.364","0.005","81.094","0.004","74.507","0.005","926.97","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-fluorophenyl)imino]methyl}phenol","","- C21 H26 F N O -","- C21 H26 F N O -","- C42 H52 F2 N2 O2 -","2","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0843","0.0541","","","0.0988","0.1101","","","","","","1.043","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:23",""
"2022469","12.2569","0.0003","8.9658","0.0002","16.5739","0.0004","90","","90","","90","","1821.35","0.07","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-fluorophenyl)imino]methyl}phenol","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0371","0.0341","","","0.0749","0.0765","","","","","","1.046","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:24",""
"2022470","17.9412","0.0017","10.5067","0.0007","10.389","0.0007","90","","92.719","0.007","90","","1956.2","0.3","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0983","0.056","","","0.1118","0.1325","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:24",""
"2022471","17.8739","0.0013","10.4846","0.0007","10.3312","0.0006","90","","92.296","0.005","90","","1934.5","0.2","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.108","0.0623","","","0.1214","0.1445","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:24",""
"2022472","17.8132","0.0012","10.4564","0.0006","10.2814","0.0006","90","","91.965","0.005","90","","1913.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0695","0.0509","","","0.1105","0.1196","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:24",""
"2022473","17.7326","0.0013","10.4696","0.0007","10.2385","0.0007","90","","91.536","0.006","90","","1900.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(4-chloroaniline)-3,5-di-tertbutylsalicylidene","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.1005","0.0632","","","0.1207","0.1383","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022474","17.3623","0.0008","10.6691","0.0004","10.1512","0.0006","90","","90.123","0.005","90","","1880.41","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","x-ray","0.71073","MoKα","","0.0978","0.0716","","","0.1664","0.1841","","","","","","1.077","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:25",""
"2022475","17.3011","0.0011","10.678","0.0007","10.12","0.0006","90","","90.252","0.006","90","","1869.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4-Di-<i>tert</i>-butyl-6-{[(4-chlorophenyl)imino]methyl}phenol","","- C21 H26 Cl N O -","- C21 H26 Cl N O -","- C84 H104 Cl4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","x-ray","0.71073","MoKα","","0.1023","0.0709","","","0.1574","0.1761","","","","","","1.078","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:25",""
"2022476","18.0356","0.0007","10.5891","0.0003","10.3641","0.0003","90","","92.894","0.003","90","","1976.82","0.11","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C20.997 H25.991 Br N O -","- C83.988 H103.964 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0639","0.0443","","","0.1055","0.1175","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022477","17.9642","0.0004","10.5593","0.0002","10.3153","0.0002","90","","92.535","0.002","90","","1954.79","0.07","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0746","0.0394","","","0.0888","0.1011","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022478","17.8944","0.0004","10.54749","0.00018","10.2693","0.0002","90","","92.1529","0.0018","90","","1936.87","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0601","0.0352","","","0.0747","0.083","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022479","17.8028","0.0003","10.55679","0.00016","10.2191","0.00018","90","","91.695","0.0016","90","","1919.74","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0473","0.0309","","","0.0671","0.0727","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022480","17.5364","0.0003","10.65933","0.00019","10.1718","0.0002","90","","90.6047","0.0016","90","","1901.27","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0458","0.0319","","","0.0684","0.0739","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","269400","2021-09-30","02:22:25",""
"2022481","17.445","0.0003","10.69412","0.00016","10.1501","0.00017","90","","90.1557","0.0016","90","","1893.58","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-{[(4-Bromophenyl)imino]methyl}-2,4-di-<i>tert</i>-butylphenol","","- C21 H26 Br N O -","- C21 H26 Br N O -","- C84 H104 Br4 N4 O4 -","4","1","WV3002","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Selected solid-state behaviour of three di-<i>tert</i>-butyl-substituted <i>N</i>-salicylideneaniline derivatives: temperature-induced phase transitions and chromic behaviour","Acta Crystallographica Section C","2021","77","10","659","667","10.1107/S2053229621008780","","","0.71073","MoKα","","0.0364","0.0261","","","0.0558","0.0595","","","","","","1.037","","","","has coordinates,has Fobs","269400","2021-09-30","02:22:25",""
"2022482","6.7605","0.0006","15.065","0.001","16.0849","0.0009","90","","90","","90","","1638.2","0.2","150","0.12","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1<i>H</i>-1,2,3-triazol-4-yl]methanone","","- C17 H7 F8 N3 O -","- C17 H7 F8 N3 O -","- C68 H28 F32 N12 O4 -","4","1","HB7985","Pokhodylo, Nazariy T.; Slyvka, Yurii; Goreshnik, Evgeny; Lytvyn, Roman","Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone","Acta Crystallographica Section E Crystallographic Communications","2021","77","11","","","10.1107/S2056989021010070","","","1.54184","CuKα","","0.0778","0.0469","","","0.092","0.1088","","","","","","1.032","","","","has coordinates,has Fobs","269597","2021-10-06","01:44:12",""
"2022483","10.4266","0.0004","6.0539","0.0002","14.2168","0.0007","90","","90.261","0.004","90","","897.38","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(<i>R</i>)-2-(Benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate","","- C15 H21 N O5 S Se -","- C15 H21 N O5 S Se -","- C30 H42 N2 O10 S2 Se2 -","2","1","YY2003","Rajegowda, H. R.; Suchetan, P. A.; Butcher, R. J.; Raghavendra Kumar, P.","Synthesis and absolute structure of (R)-2-(benzylselanyl)-1-phenylethanaminium hydrogen sulfate monohydrate: crystal structure and Hirshfeld surface analyses","Acta Crystallographica Section E Crystallographic Communications","2021","77","11","","","10.1107/S2056989021010409","","","0.71073","MoKα","","0.0549","0.0441","","","0.1012","0.1128","","","","","","0.989","","","","has coordinates,has Fobs","270047","2021-10-20","02:24:38",""
"2022497","7.1209","0.0005","12.1988","0.0012","20.1202","0.0018","90","","90","","90","","1747.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Acridin-1-ium 4-aminosalicylate","Acridin-1-ium 4-amino-2-hydroxybenzoate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.0408","0.0369","","","0.1069","0.1124","","","","","","1.072","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:09",""
"2022498","11.4959","0.0007","8.3756","0.0009","17.45","0.0016","90","","102.255","0.002","90","","1641.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Acridin-1-ium 5-chlorosalicylate","Acridin-1-ium 5-chloro-2-hydroxybenzoate","","- C20 H14 Cl N O3 -","- C20 H14 Cl N O3 -","- C80 H56 Cl4 N4 O12 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.0605","0.0443","","","0.123","0.1322","","","","","","1.132","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:09",""
"2022499","7.3436","0.0013","11.0761","0.0015","23.123","0.003","90","","90.835","0.005","90","","1880.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Acridin-1-ium hippurate monohydrate","Acridin-1-ium 2-benzamidoacetate monohydrate","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.1033","0.0705","","","0.1483","0.1623","","","","","","1.066","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:10",""
"2022500","5.5666","0.0004","8.7105","0.0006","9.8314","0.0007","90","","100.311","0.001","90","","469.01","0.06","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[(<i>S</i>)-2-amino-3-hydroxypropanoato-κ^2^<i>N</i>,<i>O</i>^1^]cobalt(II)]-μ-(<i>S</i>)-2-amino-3-hydroxypropanoato-κ^4^<i>O</i>^1^,<i>O</i>^3^:<i>N</i>,<i>O</i>^1'^]","","- C6 H12 Co N2 O6 -","- C6 H12 Co N2 O6 -","- C12 H24 Co2 N4 O12 -","2","1","OP3014","Dzesse T., Christelle N.; Majoumo-Mbe, Felicite; Nfor, Emmanuel N.; Bourne, Susan A.","A homochiral coordination polymer of cobalt(II) and <small>L</small>-serine","Acta Crystallographica Section C","2021","77","12","764","769","10.1107/S2053229621011347","","","0.71073","MoKα","","0.0217","0.021","","","0.0474","0.0477","","","","","","1.032","","","","has coordinates,has Fobs","271880","2022-01-06","22:35:45",""
"2022501","8.4792","0.0006","10.1307","0.0007","16.3774","0.0011","90","","93.485","0.001","90","","1404.22","0.17","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.0531","0.0391","","","0.0874","0.0928","","","","","","1.062","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:34",""
"2022502","11.4978","0.0005","9.5235","0.0004","12.7179","0.0005","90","","100.771","0.001","90","","1368.07","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.0378","0.0283","","","0.0618","0.0647","","","","","","1.029","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:35",""
"2022503","8.4041","0.0007","10.0681","0.0009","16.236","0.0014","90","","93.06","0.002","90","","1371.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C26 H20 N14 Ni S2 -","- C26 H20 N14 Ni S2 -","- C52 H40 N28 Ni2 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","","0.71073","MoKα","","0.0595","0.0365","","","0.0777","0.0851","","","","","","1.022","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022504","11.586","0.0014","9.5489","0.0012","12.8132","0.0016","90","","100.806","0.002","90","","1392.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ni(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)nickel(II)","","- C26 H20 N14 Ni S2 -","- C26 H20 N14 Ni S2 -","- C52 H40 N28 Ni2 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.1047","0.0582","","","0.1195","0.1361","","","","","","1.055","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022505","8.487","0.005","10.249","0.006","16.539","0.01","90","","93.419","0.013","90","","1436.1","1.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","x-ray","0.71073","MoKα","","0.1258","0.0593","","","0.1397","0.166","","","","","","1.024","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022506","11.5855","0.0006","9.5998","0.0005","12.8411","0.0006","90","","101.3","0.001","90","","1400.48","0.12","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Co(abpt)2(NCS)2]","Bis[4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]bis(thiocyanato-κ<i>N</i>)cobalt(II)","","- C26 H20 Co N14 S2 -","- C26 H20 Co N14 S2 -","- C52 H40 Co2 N28 S4 -","2","0.5","OC3012","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Co(NCS)~2~(abpt)~2~ and Ni(NCS)~2~(abpt)~2~ [abpt is 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]: structural characterization of polymorphs A and B","Acta Crystallographica Section C","2021","77","12","777","781","10.1107/S2053229621010251","","","0.71073","MoKα","","0.0486","0.0335","","","0.0735","0.0791","","","","","","1.03","","","","has coordinates,has Fobs","271881","2022-01-06","22:36:36",""
"2022507","7.7181","0.0005","8.2139","0.0006","8.7684","0.0006","79.847","0.006","66.782","0.007","64.907","0.007","462.62","0.07","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","3-(Dimethylamino)-1,1-difluoro-1<i>H</i>-pyrido[1,2-<i>c</i>][1,3,5,2]-oxadiazaborinin-9-ium-1-uide","","- C8 H10 B F2 N3 O -","- C8 H10 B F2 N3 O -","- C16 H20 B2 F4 N6 O2 -","2","1","WV3007","Ośmiałowski, Borys; Dziuk, Błażej; Ejsmont, Krzysztof; Checińska, Lilianna; Dobrzańska, Liliana","Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates","Acta Crystallographica Section C","2021","77","12","807","813","10.1107/S2053229621012249","","","0.71073","MoKα","","0.0498","0.0433","","","0.1214","0.1291","","","","","","1.072","","","","has coordinates,has Fobs","271882","2022-01-06","22:38:10",""
"2022508","8.1445","0.0003","8.2758","0.0003","12.7398","0.0006","93.518","0.004","105.066","0.004","95.613","0.003","821.83","0.06","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","3-{(1<i>E</i>,3<i>E</i>)-4-[4-(Dimethylamino)phenyl]buta-1,3-dien-1-yl}-1,1-difluoro-1<i>H</i>-pyrido[1,2-<i>c</i>][1,3,5,2]oxadiazaborinin-9-ium-1-uide","","- C18 H18 B F2 N3 O -","- C18 H18 B F2 N3 O -","- C36 H36 B2 F4 N6 O2 -","2","1","WV3007","Ośmiałowski, Borys; Dziuk, Błażej; Ejsmont, Krzysztof; Checińska, Lilianna; Dobrzańska, Liliana","Effect of conjugated system extension on structural features and electron-density distribution in charge–transfer difluoroborates","Acta Crystallographica Section C","2021","77","12","807","813","10.1107/S2053229621012249","","","0.71073","MoKα","","0.0719","0.0526","","","0.1357","0.153","","","","","","1.03","","","","has coordinates,has Fobs","271882","2022-01-06","22:38:11",""
"2022509","11.0241","0.0014","18.827","0.003","6.881","0.0011","90","","92.816","0.004","90","","1426.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[aqua[μ~3~-2,5-bis(1<i>H</i>-1,2,4-triazol-1-yl)benzoato-κ^3^<i>N</i>^4^:<i>N</i>^4'^:<i>O</i>]chloridomanganese(II)] monohydrate]","","- C11 H11 Cl Mn N6 O4 -","- C11 H11 Cl Mn N6 O4 -","- C44 H44 Cl4 Mn4 N24 O16 -","4","1","EF3023","Zhao, Dan; An, Yanyan; Guo, Tingting; Yan, Juanzhi; Song, Danmei","A three-dimensional manganese(II) coordination polymer with two functional properties: magnetism and photochemical detection","Acta Crystallographica Section C","2021","77","12","782","789","10.1107/S2053229621011797","","","0.71073","MoKα","","0.0936","0.0484","","","0.0813","0.0942","","","","","","1.024","","","","has coordinates,has Fobs","271883","2022-01-06","22:38:39",""
"2022510","5.8737","0.0009","8.3842","0.0013","13.788","0.002","90","","95.025","0.002","90","","676.4","0.18","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[diaqua[μ~3~-(<i>S</i>)-2-(benzylamino)succinato-κ^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^]cadmium(II)] monohydrate]","","- C11 H17 Cd N O7 -","- C11 H17 Cd N O7 -","- C22 H34 Cd2 N2 O14 -","2","1","YP3220","Liu, Yan; Zhang, Hong-Tao","A new two-dimensional folding sheet-like coordination polymer assembled from cadmium(II) and (<i>S</i>)-2-(benzylamino)succinic acid: synthesis, structure and properties","Acta Crystallographica Section C","2021","77","12","770","776","10.1107/S2053229621011578","","","0.71073","MoKα","","0.0378","0.0303","","","0.0609","0.0642","","","","","","0.941","","","","has coordinates,has Fobs","271884","2022-01-06","22:39:20",""
"2022511","5.7626","0.0004","36.693","0.002","14.3279","0.001","90","","90.07","0.01","90","","3029.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-7-phenylpyrazolo[1,5-<i>c</i>]pyrimidine","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","2","VP3019","Trivedi, Laxmikant; Gupta, Kratika; Mishra, Vipin; Gopakumar, Thiruvancheril G.; Gupta, Atul; Vasudev, Prema G.","Crystal structure and self-assembly on graphite of a pyrazolo[1,5-<i>c</i>]pyrimidine derivative","Acta Crystallographica Section C","2021","77","12","757","763","10.1107/S2053229621011232","","","0.71073","MoKα","","0.1146","0.0455","","","0.0996","0.1199","","","","","","0.848","","","","has coordinates,has Fobs","271885","2022-01-06","22:39:44",""
"2022567","9.2801","0.0006","15.433","0.0009","17.1702","0.0011","90","","95.116","0.006","90","","2449.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Etravirine dimethyl sulfoxide monosolvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile dimethyl sulfoxide monosolvate","","- C22 H21 Br N6 O2 S -","- C22 H21 Br N6 O2 S -","- C88 H84 Br4 N24 O8 S4 -","4","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0807","0.0657","","","0.1838","0.2136","","","","","","1.041","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:11",""
"2022568","8.6953","0.0005","9.3336","0.0008","15.1494","0.0011","96.181","0.006","102.323","0.006","95.632","0.006","1184.87","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Etravirine dimethyl sulfoxide monosolvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile dimethyl sulfoxide monosolvate","","- C22 H21 Br N6 O2 S -","- C22 H21 Br N6 O2 S -","- C44 H42 Br2 N12 O4 S2 -","2","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0753","0.0689","","","0.1919","0.2101","","","","","","1.072","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:12",""
"2022569","8.8344","0.0004","11.2114","0.0007","13.3205","0.0008","100.065","0.005","98.949","0.004","96.828","0.004","1268.67","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Etravirine dimethylacetamide monosolvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile dimethylacetamide monosolvate","","- C24 H24 Br N7 O2 -","- C24 H24 Br N7 O2 -","- C48 H48 Br2 N14 O4 -","2","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0625","0.0514","","","0.1396","0.1552","","","","","","1.035","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:12",""
"2022570","8.7721","0.0001","22.3659","0.0004","23.6458","0.0006","90","","93.364","0.002","90","","4631.22","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Etravirine 1,4-dioxane 0.75-solvate","4-({6-Amino-5-bromo-2-[(4-cyanophenyl)amino]pyrimidin-4-yl}oxy)-3,5-dimethylbenzonitrile 1,4-dioxane 0.75-solvate","","- C23 H21 Br N6 O2.5 -","- C23 H21 Br N6 O2.5 -","- C184 H168 Br8 N48 O20 -","8","2","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","","1.54184","CuKα","","0.0808","0.0548","","","0.1191","0.1321","","","","","","1.043","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:12",""
"2022571","15.5664","0.0006","15.3769","0.0007","18.4445","0.0008","90","","109.359","0.004","90","","4165.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Etravirinium oxalate","6-Amino-5-bromo-4-(4-cyano-2,6-dimethylphenoxy)-2-[(4-cyanophenyl)amino]pyrimidin-1-ium hemioxalate","","- C21 H16 Br N6 O3 -","- C21 H16 Br N6 O3 -","- C168 H128 Br8 N48 O24 -","8","1","VP3022","Muresan-Pop, Marieta; Macavei, Sergiu; Turza, Alexandru; Borodi, Gheorghe","New solvates and a salt of the anti-HIV compound etravirine","Acta Crystallographica Section C","2021","77","11","698","706","10.1107/S2053229621010482","","x-ray","0.71073","MoKα","","0.0721","0.0426","","","0.1177","0.139","","","","","","0.876","","","","has coordinates,has Fobs","273079","2022-02-22","02:56:13",""
"2022572","13.8013","0.0008","14.5077","0.0008","17.1208","0.001","90","","90","","90","","3428","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[triaqua(μ~4~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^7^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^,<i>O</i>^4''^)(μ~3~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4^)dicadmium(II)] dihydrate]","","- C28 H38 Cd2 N4 O17 -","- C28 H38 Cd2 N4 O17 -","- C112 H152 Cd8 N16 O68 -","4","1","LF3123","Zhang, Hong-Tao; Wang, Xiao-Long","A new three-dimensional twofold interpenetrated cadmium(II) metal–organic framework: synthesis, structure and photoluminescence properties","Acta Crystallographica Section C","2021","77","11","691","697","10.1107/S2053229621010524","","","0.71073","MoKα","","0.0213","0.0198","","","0.047","0.0477","","","","","","1.036","","","","has coordinates,has Fobs","273080","2022-02-22","02:57:30",""
"2022573","12.4158","0.0006","12.7108","0.0009","18.3698","0.0007","90","","90","","90","","2899","0.3","240","","240","","","","","","","","","5","P n m a","-P 2ac 2n","62","Dicalcium barium hexakis(propanoate)","Poly[hexa-μ-propanoato-bariumdicalcium]","","- C18 H30 Ba Ca2 O12 -","- C18 H30 Ba Ca2 O12 -","- C72 H120 Ba4 Ca8 O48 -","4","0.5","JX3066","Fábry, Jan; Dušek, Michal","Low-temperature phases of dicalcium barium hexakis(propanoate)","Acta Crystallographica Section C","2021","77","11","683","690","10.1107/S205322962101024X","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.0748","0.0772","","","","2.35","2.35","2.22","","","","has coordinates,has Fobs","273081","2022-02-22","02:58:33",""
"2022574","12.3585","0.0006","12.6","0.0006","18.0846","0.0008","90","","90","","90","","2816.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Barium dicalcium hexakis(propanoate)","Poly[hexakis-μ-propanoato-bariumdicalcium]","","- C18 H30 Ba Ca2 O12 -","- C18 H30.0012 Ba Ca2 O12 -","- C72 H120.005 Ba4 Ca8 O48 -","4","1","JX3066","Fábry, Jan; Dušek, Michal","Low-temperature phases of dicalcium barium hexakis(propanoate)","Acta Crystallographica Section C","2021","77","11","683","690","10.1107/S205322962101024X","","x-ray","0.71073","MoKα","","0.0314","0.0277","","","0.0603","0.0612","","","","1.69","1.69","1.65","","","","has coordinates,has Fobs","273081","2022-02-22","02:58:33",""
"2022575","9.244","0.004","10.465","0.005","10.998","0.005","93.969","0.005","97.973","0.005","94.312","0.005","1047.2","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(Ferrocene-1,1'-diyl)bis(bis{2-[(dimethylamino)methyl]phenyl}phosphine selenide)","","- C46 H56 Fe N4 P2 Se2 -","- C46 H56 Fe N4 P2 Se2 -","- C46 H56 Fe N4 P2 Se2 -","1","0.5","ZO3012","Kunchur, Harish S.; Mondal, Dipanjan; Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C~5~H~4~P(C~6~H~4~CH~2~NMe~2~-<i>o</i>)~2~}~2~]","Acta Crystallographica Section C","2021","77","11","725","733","10.1107/S205322962101072X","","","0.71073","MoKα","","0.0641","0.0576","","","0.1627","0.17","","","","","","1.047","","","","has coordinates,has Fobs","273082","2022-02-22","02:59:27",""
"2022576","10.115","0.0013","10.7515","0.0014","26.637","0.003","96.791","0.002","91.486","0.002","116.491","0.002","2564.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[μ-1,1'-Bis(bis{2-[(dimethylamino)methyl]phenyl}phosphanyl)ferrocene-κ^2^<i>N</i>,<i>P</i>:κ^2^<i>N</i>',<i>P</i>']bis[dichloridozinc(II)] dichloromethane monosolvate","","- C47 H58 Cl6 Fe N4 P2 Zn2 -","- C47 H58 Cl6 Fe N4 P2 Zn2 -","- C94 H116 Cl12 Fe2 N8 P4 Zn4 -","2","1","ZO3012","Kunchur, Harish S.; Mondal, Dipanjan; Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C~5~H~4~P(C~6~H~4~CH~2~NMe~2~-<i>o</i>)~2~}~2~]","Acta Crystallographica Section C","2021","77","11","725","733","10.1107/S205322962101072X","","","0.71073","MoKα","","0.0671","0.0548","","","0.1203","0.1277","","","","","","1.032","","","","has coordinates,has Fobs","273082","2022-02-22","02:59:27",""
"2022577","7.86","0.0016","16.233","0.0009","23.103","0.002","90","","90","","90","","2947.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound (I)","<i>catena</i>-Poly[[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-2,3-bis(benzoyloxy)butanedioato-κ^2^<i>O</i>^2^:<i>O</i>^3^] dihydrate]","","- C28 H28 Mn N2 O12 -","- C28 H28 Mn N2 O12 -","- C112 H112 Mn4 N8 O48 -","4","1","QF3051","Jiao, Yuan; Jin, Fu-Ning; Feng, Si-Si; Wang, Ai; Englert, Ulli","Synthesis, crystal structure and magnetic properties of a one-dimensional Mn^2+^ complex constructed from (+)-dibenzoyltartaric acid and 2,2'-bipyridine","Acta Crystallographica Section C","2021","77","11","707","712","10.1107/S2053229621010627","","","0.75","synchrotron","","0.0442","0.0424","","","0.1098","0.1113","","","","","","1.038","","","","has coordinates,has Fobs","273084","2022-02-22","03:00:40",""
"2022578","14.438","0.003","8.555","0.002","21.315","0.004","90","","90","","90","","2632.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[μ~2~-4,4'-bis(2-methylimidazol-1-yl)-[1,1'-biphenyl]](μ~2~-5-methylisophthalato)cadmium(II)]","","- C29 H24 Cd N4 O4 -","- C29 H24 Cd N4 O4 -","- C116 H96 Cd4 N16 O16 -","4","1","QF3049","Chen, Hui-Ru","A cadmium(II) coordination polymer with a fivefold interpenetrating diamondoid three-dimensional framework: synthesis, crystal structure, luminescence and photocatalytic properties","Acta Crystallographica Section C","2021","77","11","734","739","10.1107/S2053229621010639","","","0.71075","MoKα","","0.0401","0.0294","","","0.0572","0.0601","","","","","","1.054","","","","has coordinates,has Fobs","273085","2022-02-22","03:01:13",""
"2022874","10.2847","0.0009","8.9809","0.0001","11.21","0.0004","90","","114.598","0.007","90","","941.46","0.1","296","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0373","0.0317","","","0.0835","0.0898","","","","","","0.986","","","","has coordinates,has Fobs","286863","2023-10-10","02:15:27",""
"2022875","10.1323","0.0013","8.88899","0.00015","11.0453","0.0004","90","","114.957","0.009","90","","901.91","0.14","296","2","296","2","430000","","430000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0355","0.0334","","","0.0985","0.1","","","","","","1.04","","","","has coordinates,has Fobs","288091","2023-12-06","15:50:33",""
"2022876","9.997","0.003","8.8025","0.0003","10.9003","0.0008","90","","115.28","0.02","90","","867.3","0.3","296","2","296","2","910000","","910000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0379","0.0355","","","0.1048","0.1067","","","","","","1.108","","","","has coordinates,has Fobs","288091","2023-12-06","15:50:35",""
"2022877","9.934","0.002","8.7538","0.0002","10.8339","0.0006","90","","115.517","0.014","90","","850.2","0.2","296","2","296","2","1150000","","1150000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0331","0.0314","","","0.0856","0.0872","","","","","","1.008","","","","has coordinates,has Fobs","288091","2023-12-06","15:50:44",""
"2022878","9.842","0.003","8.7061","0.0003","10.7364","0.001","90","","115.68","0.02","90","","829.1","0.3","296","2","296","2","1650000","","1650000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0536","0.0519","","","0.1696","0.1713","","","","","","1.158","","","","has coordinates,has Fobs","288091","2023-12-06","15:50:47",""
"2022879","9.788","0.002","8.6889","0.0003","10.66","0.0007","90","","115.607","0.017","90","","817.6","0.2","296","2","296","2","1970000","","1970000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0246","0.0233","","","0.0704","0.0714","","","","","","1.047","","","","has coordinates,has Fobs","288091","2023-12-06","15:50:57",""
"2022880","9.7195","0.0012","8.6486","0.0002","10.59","0.0004","90","","115.709","0.009","90","","802.07","0.12","296","2","296","2","2320000","","2320000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0207","0.0194","","","0.0585","0.0594","","","","","","1.127","","","","has coordinates,has Fobs","288091","2023-12-06","15:50:59",""
"2022881","9.637","0.0013","8.6017","0.0002","10.4967","0.0004","90","","115.788","0.009","90","","783.46","0.13","296","2","296","2","2740000","","2740000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0241","0.0233","","","0.0603","0.0609","","","","","","1.056","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:09",""
"2022882","9.6171","0.0013","8.5889","0.0002","10.4726","0.0004","90","","115.81","0.01","90","","778.75","0.13","296","2","296","2","3050000","","3050000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0303","0.0295","","","0.0816","0.0824","","","","","","1.126","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:20",""
"2022883","9.5973","0.0015","8.5648","0.0002","10.4284","0.0004","90","","115.854","0.011","90","","771.4","0.14","296","2","296","2","3330000","","3330000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0371","0.036","","","0.1007","0.1012","","","","","","1.101","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:22",""
"2022884","9.4705","0.0013","8.5022","0.0002","10.2962","0.0004","90","","115.934","0.01","90","","745.56","0.12","296","2","296","2","4190000","","4190000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0223","0.0217","","","0.0607","0.0611","","","","","","1.099","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:22",""
"2022885","9.4109","0.0011","8.4696","0.0001","10.2258","0.0003","90","","115.972","0.009","90","","732.75","0.1","296","2","296","2","4710000","","4710000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0343","0.0338","","","0.1318","0.1323","","","","","","1.284","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:22",""
"2022886","9.3544","0.0014","8.4389","0.0002","10.1587","0.0004","90","","115.998","0.011","90","","720.79","0.13","296","2","296","2","5420000","","5420000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0227","0.022","","","0.067","0.0677","","","","","","1.045","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:22",""
"2022887","9.2978","0.0012","8.4056","0.0002","10.0857","0.0004","90","","116.015","0.009","90","","708.37","0.11","296","2","296","2","5910000","","5910000","","","","","2","P 1 21/c 1","-P 2ybc","14","Cesium Tetraiodide","dicesium octaiodide","","- Cs I4 -","- Cs I4 -","- Cs4 I16 -","4","1","","Poreba, Tomasz; Garbarino, Gaston; Comboni, Davide; Mezouar, Mohamed","Deformation of polyiodides in Cs2I8 crystals at high pressure","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","934","939","10.1107/S2052520621010192","","x-ray","0.41077","synchrotron","","0.0197","0.0191","","","0.0479","0.0485","","","","","","1.012","","","","has coordinates,has Fobs","288091","2023-12-06","15:51:22",""
"2022888","13.70079","0.00019","7.16238","0.0001","25.8688","0.0004","90","","90","","90","","2538.51","0.06","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone form IV","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C112 H144 N16 O32 -","16","2","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0519","0.0415","","","0.1098","0.1167","","","","","","1.055","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:31",""
"2022889","22.55","0.004","22.55","0.004","6.8267","0.0001","90","","90","","90","","3471.4","0.9","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C152 H168 N8 O48 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0839","0.0576","","","0.1209","0.131","","","","","","1.087","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:34",""
"2022890","6.9488","0.0017","9.982","0.002","20.881","0.005","90","","90.927","0.007","90","","1448.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Deferiprone-Catechol (2:3) cocrystal","","- C32 H36 N2 O10 -","- C32 H36 N2 O10 -","- C64 H72 N4 O20 -","2","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0639","0.0616","","","0.1666","0.1679","","","","","","1.112","","","","has coordinates,has disorder,has Fobs","286864","2023-10-10","02:19:36",""
"2022891","9.4231","0.0001","10.3938","0.0001","24.7171","0.0003","90","","90","","90","","2420.84","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Deferiprone-Catechol (1:1)","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C104 H120 N8 O32 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0623","0.0442","","","0.0984","0.1069","","","","","","1.035","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:39",""
"2022892","12.867","0.003","9.55","0.002","10.487","0.002","90","","110.761","0.007","90","","1205","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Deferiprone-Catechol (1:1) cocrystal","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.1106","0.0863","","","0.194","0.2032","","","","","","1.25","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:49",""
"2022893","6.83171","0.00009","7.09634","0.0001","10.01294","0.00014","72.4243","0.0004","85.7351","0.0004","73.9285","0.0004","444.659","0.011","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 N O3 -","- C10 H12 N O3 -","- C20 H24 N2 O6 -","2","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0395","0.0364","","","0.1001","0.1023","","","","","","1.048","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:52",""
"2022894","11.71471","0.00015","7.32566","0.0001","22.0867","0.0003","90","","100.608","0.0007","90","","1863.04","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(Deferiprone) Resorcinol (2:1)","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0855","0.054","","","0.1161","0.1316","","","","","","1.021","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:55",""
"2022895","7.13393","0.00008","18.2199","0.0002","9.1517","0.0001","90","","95.4213","0.0004","90","","1184.21","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Deferiprone - Resorcinol (1:1) cocrystal","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0375","0.0351","","","0.1029","0.1053","","","","","","1.089","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022896","6.9983","0.0002","18.4416","0.0006","28.896","0.0008","90","","90","","90","","3729.31","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Bis(Deferiprone) phloroglucinol (2:1)","","","- C20 H24 N2 O7 -","- C20 H24 N2 O7 -","- C160 H192 N16 O56 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.1045","0.0565","","","0.0998","0.115","","","","","","1.041","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022897","7.9892","0.0019","10.197","0.003","12.876","0.004","91.088","0.008","93.874","0.007","90.209","0.007","1046.4","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Deferiprone Phloroglucinol hydrate (2:1:2)","","","- C20 H28 N2 O9 -","- C20 H28 N2 O9 -","- C40 H56 N4 O18 -","2","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.086","0.0841","","","0.2036","0.2045","","","","","","1.246","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022898","28.0626","0.0004","9.2719","0.0001","14.6075","0.0002","90","","107.081","0.0005","90","","3633.13","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Deferiprone-bis(Pyrogallol) (1:2)","","","- C19 H21 N O8 -","- C19 H21 N O8 -","- C152 H168 N8 O64 -","8","1","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.0379","0.035","","","0.0936","0.0967","","","","","","1.046","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022899","14.592","0.002","9.3121","0.0011","26.795","0.004","90","","90","","90","","3641","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","Deferiprone-Pyrogallol (2:4)","","","- C19 H21 N O8 -","- C19 H21 N O8 -","- C152 H168 N8 O64 -","8","2","LO5093","Rajendrakumar, Satyasree; Surampudi Venkata Sai Durga, Anuja; Balasubramanian, Sridhar","Strategic synthon approach in obtaining cocrystals and cocrystal polymorphs of a high-Z′ system deferiprone – an anti-thalassemia drug","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","946","964","10.1107/S205252062100980X","","","0.71073","MoKα","","0.1648","0.073","","","0.1301","0.1557","","","","","","1.046","","","","has coordinates,has Fobs","286864","2023-10-10","02:19:56",""
"2022900","6.639","0.002","8.3489","0.0002","6.4786","0.0002","90.77","0.002","101.94","0.01","86.747","0.008","350.76","0.11","293","1","293","1","101","","101","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0511","0.0497","","","0.0671","0.0675","","","","4.21","4.21","4.1","","","","has coordinates,has Fobs","286867","2023-10-10","02:21:40",""
"2022901","6.55","0.002","8.2005","0.0002","6.4337","0.0002","90.367","0.003","102.63","0.01","86.784","0.009","336.68","0.1","293","","293","1","1310000","","1310000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0541","0.0519","","","0.067","0.0675","","","","4.14","4.14","3.99","","","","has coordinates,has Fobs","286867","2023-10-10","02:21:43",""
"2022902","6.478","0.003","8.0733","0.0002","6.3923","0.0002","89.972","0.003","103.3","0.01","86.857","0.009","324.82","0.15","293","","293","1","2950000","","2950000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0508","0.0483","","","0.062","0.0626","","","","3.48","3.48","3.35","","","","has coordinates,has Fobs","286867","2023-10-10","02:21:46",""
"2022903","6.465","0.003","8.059","0.003","6.388","0.003","89.922","0.003","103.38","0.01","86.859","0.01","323.3","0.2","293","","293","1","3140000","","3140000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0493","0.0465","","","0.062","0.0627","","","","3.63","3.63","3.48","","","","has coordinates,has Fobs","286867","2023-10-10","02:21:56",""
"2022904","6.124","0.003","7.6014","0.0003","6.8051","0.0003","97.548","0.004","107.416","0.015","100.462","0.012","291.36","0.15","293","1","293","1","3750000","","3750000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0464","0.0445","","","0.06","0.0604","","","","3.33","3.33","3.21","","","","has coordinates,has Fobs","286867","2023-10-10","02:22:01",""
"2022905","6.095","0.003","7.559","0.0002","6.7696","0.0002","97.576","0.003","107.579","0.014","100.34","0.011","286.68","0.14","293","1","293","1","5100000","","5100000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0531","0.0514","","","0.0648","0.0651","","","","3.61","3.61","3.49","","","","has coordinates,has Fobs","286867","2023-10-10","02:22:05",""
"2022906","6.071","0.003","7.5224","0.0002","6.7393","0.0002","97.606","0.003","107.703","0.014","100.254","0.012","282.75","0.14","293","1","293","1","6370000","","6370000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0405","0.0387","","","0.0516","0.0522","","","","3","3","2.92","","","","has coordinates,has Fobs","286867","2023-10-10","02:22:10",""
"2022907","6.05","0.003","7.4908","0.0002","6.7136","0.0003","97.629","0.003","107.773","0.014","100.211","0.011","279.42","0.14","293","1","293","1","7380000","","7380000","","","","","4","P -1","-P 1","2","meyerhofferite","","","- B3 Ca H7 O9 -","- B3 Ca O9 -","- B6 Ca2 O18 -","2","1","DK5106","Comboni, Davide; Poreba, Tomasz; Pagliaro, Francesco; Battiston, Tommaso; Lotti, Paolo; Gatta, Giacomo Diego; Garbarino, Gaston; Hanfland, Michael","Crystal structure of the high-P polymorph of Ca2B6O6(OH)10·2(H2O) (meyerhofferite)","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2021","77","6","940","945","10.1107/S2052520621009768","","x-ray","0.41066","synchrotron","","0.0459","0.0434","","","0.0556","0.0562","","","","3.43","3.43","3.32","","","","has coordinates,has Fobs","286867","2023-10-10","02:22:15",""
"2108735","15.467","0.003","8.9627","0.0014","9.1186","0.0015","90","","124.144","0.0015","90","","1046.2","0.3","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag3.06 O12 P3 Sc2 -","- Ag3.06 O12 P3 Sc2 -","- Ag12.24 O48 P12 Sc8 -","4","0.5","","Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel","Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system","Acta Crystallographica Section B","2021","77","1","10","22","10.1107/S2052520620014870","","x-ray","0.71073","MoKα","","0.0361","0.0348","","","0.0866","0.0871","","","","","","1.223","","","","has coordinates,has Fobs","261794","2021-02-05","14:51:57",""
"2108736","15.5374","0.0002","8.9703","0.0001","22.5718","0.0003","90","","89.9984","0.0004","90","","3145.95","0.07","200","1","200","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ag3.03 O12 P2 Sc2 -","- Ag3.0342 O12 P3 Sc2 -","- Ag36.4104 O144 P36 Sc24 -","12","1.5","","Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel","Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system","Acta Crystallographica Section B","2021","77","1","10","22","10.1107/S2052520620014870","","x-ray","0.71073","MoKα","","0.0874","0.0316","","","0.0798","0.1073","","","","","","1.04","","","","has coordinates,has Fobs","261794","2021-02-05","14:51:57",""
"2108737","8.9756","0.0004","8.9756","0.0004","22.6248","0.001","90","","90","","120","","1578.49","0.12","295","1","295","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3.05 O12 P3 Sc2 -","- Ag3.0468 O12 P3 Sc2 -","- Ag18.2808 O72 P18 Sc12 -","6","0.166667","","Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel","Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system","Acta Crystallographica Section B","2021","77","1","10","22","10.1107/S2052520620014870","","x-ray","0.71073","MoKα","","0.0189","0.0179","","","0.0432","0.0441","","","","","","1.114","","","","has coordinates,has Fobs","261794","2021-02-05","14:51:57",""
"2108738","8.9671","0.0008","8.9671","0.0008","22.7622","0.0019","90","","90","","120","","1585.1","0.2","520","1","520","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Ag3.02 O12 P3 Sc2 -","- Ag3.0198 O12 P3 Sc2 -","- Ag18.1188 O72 P18 Sc12 -","6","0.166667","","Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel","Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system","Acta Crystallographica Section B","2021","77","1","10","22","10.1107/S2052520620014870","","x-ray","0.71073","MoKα","","0.0523","0.0333","","","0.0654","0.0709","","","","","","1.071","","","","has coordinates,has Fobs","261794","2021-02-05","14:51:57",""
"2108739","4.6455","0.0003","15.9427","0.0008","10.1908","0.0006","90","","95.846","0.004","90","","750.82","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cl2 O2 S2 -","- C18 H10 Cl2 O2 S2 -","- C36 H20 Cl4 O4 S4 -","2","0.5","","Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P.","Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181)","Acta Crystallographica Section B","2021","77","1","23","30","10.1107/S2052520620014869","","","0.71073","MoKα","","0.0874","0.0629","","","0.1821","0.2008","","","","","","1.076","","","","has coordinates,has Fobs","261795","2021-02-05","14:52:03",""
"2108740","3.8612","0.0002","8.8249","0.0003","11.2319","0.0005","94.972","0.003","92.244","0.003","90.968","0.003","380.91","0.03","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl2 O2 S2 -","- C18 H10 Cl2 O2 S2 -","- C18 H10 Cl2 O2 S2 -","1","0.5","","Sakthidharan, C. P.; Niewa, R.; Zherebtsov, D. A.; Podgornov, F. V.; Matveychuk, Y. V.; Bartashevich, E. V.; Nayfert, S. A.; Adonin, S. A.; Gavrilyak, M. V.; Boronin, V. A.; Polozov, M. A.; Karthikeyan, S.; Sarojadevi, M.; Rajakumar, K.; Prabunathan, P.","Crystal structures and dielectric properties of 4,4'-dimethyl-6,6'-dichlorothioindigo (Pigment Red 181)","Acta Crystallographica Section B","2021","77","1","23","30","10.1107/S2052520620014869","","","1.54178","CuKα","","0.0367","0.0314","","","0.0783","0.0834","","","","","","0.719","","","","has coordinates,has Fobs","261795","2021-02-05","14:52:03",""
"2108741","5.2419","0.0002","15.0825","0.0005","18.4638","0.0006","103.874","0.002","93.756","0.002","97.404","0.002","1398.3","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 F3 N4 O3 -","- C32 H27 F3 N4 O3 -","- C64 H54 F6 N8 O6 -","2","1","","Schneider-Rauber, Gabriela; Arhangelskis, Mihails; Bond, Andrew D.; Ho, Raimundo; Nere, Nandkishor; Bordawekar, Shailendra; Sheikh, Ahmad Y.; Jones, William","Polymorphism and surface diversity arising from stress-induced transformations ‒ the case of multicomponent forms of carbamazepine","Acta Crystallographica Section B","2021","77","1","54","67","10.1107/S2052520620015437","","","0.71073","MoKα","","0.1215","0.0818","","","0.2086","0.2407","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","261793","2021-02-05","14:51:48",""
"2108742","6.905","0.0013","8.394","0.0013","9.339","0.0006","117.56","0.012","102.07","0.02","89.39","0.015","466.94","0.14","14","2","14","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H10 N3 O4 -","- C7.5 H10 N3 O4 -","- C15 H20 N6 O8 -","2","1","LO5078","Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena","Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt","Acta Crystallographica Section B","2021","77","1","31","40","10.1107/S2052520620014365","","","0.71073","MoKα","","0.0623","0.0516","","","0.1175","0.1232","","","","","","1.172","","","","has coordinates,has disorder,has Fobs","261797","2021-02-05","14:52:22",""
"2108743","6.999","0.001","8.378","0.002","9.249","0.002","116.22","0.03","101.88","0.03","91.18","0.03","472.3","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H10 N3 O4 -","- C7.5 H10 N3 O4 -","- C15 H20 N6 O8 -","2","1","","Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena","Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt","Acta Crystallographica Section B","2021","77","1","31","40","10.1107/S2052520620014365","","","0.71073","MoKα","","0.0408","0.0314","","","0.0721","0.0752","","","","","","1.271","","","","has coordinates,has disorder,has Fobs","261797","2021-02-05","14:52:34",""
"2108744","6.98","0.001","8.4","0.002","9.23","0.002","116.4","0.03","101.57","0.03","91.09","0.03","471.3","0.2","295","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H10 N3 O4 -","- C7.5 H10 N3 O4 -","- C15 H20 N6 O8 -","2","1","","Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena","Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt","Acta Crystallographica Section B","2021","77","1","31","40","10.1107/S2052520620014365","","","0.71073","MoKα","","0.0731","0.0376","","","0.0664","0.0768","","","","","","0.954","","","","has coordinates,has Fobs","261797","2021-02-05","14:52:47",""
"2108745","7.295","0.001","8.28","0.002","9.249","0.002","115.79","0.03","103.12","0.03","91.91","0.03","484.3","0.2","330","2","330","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H10 N3 O4 -","- C7.5 H10 N3 O4 -","- C15 H20 N6 O8 -","2","1","","Ławniczak, Paweł; Pogorzelec-Glaser, Katarzyna; Pietraszko, Adam; Hilczer, Bożena","Effect of disordered imidazole substructure on proton dynamics in imidazolium malonic acid salt","Acta Crystallographica Section B","2021","77","1","31","40","10.1107/S2052520620014365","","","0.71073","MoKα","","0.0849","0.0498","","","0.1048","0.1162","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","261797","2021-02-05","14:52:50",""
"2108746","19.27","0.003","10.993","0.002","23.917","0.003","90","","107.517","0.011","90","","4831.5","1.3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ammonium tris(2,2'-bipyridine)cobaltate(II) octamolybdate tetrahydrate","","- C30 H36 Co Mo8 N7 O30 -","- C30 H36 Co Mo8 N7 O30 -","- C120 H144 Co4 Mo32 N28 O120 -","4","1","UM5046","Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel","Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates","Acta Crystallographica Section B","2021","77","1","99","114","10.1107/S2052520620015905","","","0.71069","MoKα","","0.0427","0.0283","","","0.065","0.0703","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","261798","2021-02-05","14:53:04",""
"2108747","11.151","0.004","21.972","0.006","37.57","0.003","90","","97.218","0.016","90","","9132","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[tris(2,2'-bipyridine)cobaltate(II)] sesqui(octamolydate) dodecahydrate","","- C60 H72 Co2 Mo12 N12 O51 -","- C60 H48 Co2 Mo12 N12 O39 -","- C240 H192 Co8 Mo48 N48 O156 -","4","1","UM5046","Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel","Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates","Acta Crystallographica Section B","2021","77","1","99","114","10.1107/S2052520620015905","","","0.71069","MoKα","","0.155","0.0666","","","0.1245","0.1584","","","","","","0.955","","","","has coordinates,has Fobs","261798","2021-02-05","14:53:07",""
"2108748","10.053","0.003","16.408","0.005","15.749","0.004","90","","100.06","0.02","90","","2557.9","1.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridine)hemi(octamolybdate)cobaltate(II)","","- C20 H16 Co Mo4 N4 O13 -","- C20 H16 Co Mo4 N4 O13 -","- C80 H64 Co4 Mo16 N16 O52 -","4","1","UM5046","Atencio, Reinaldo; Briceño, Alexander; Bruno-Colmenarez, Julia; Silva, Pedro; Rodríguez, Laura; Sosa, Eleida; Limones, Erick; Pacheco, Yesenia; Cáceres, Julio; Vielma, Joel","Concomitance of octamolybdate isomers in metastable crystal structures isolated using homoleptic Co^II^/Co^III^ complexes as structure-directing templates","Acta Crystallographica Section B","2021","77","1","99","114","10.1107/S2052520620015905","","","0.71069","MoKα","","0.0641","0.0488","","","0.1349","0.1469","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","261798","2021-02-05","14:53:07",""
"2108749","4.41084","0.00004","4.41084","0.00004","9.06779","0.00017","90","","90","","90","","176.418","0.004","298","","298","","","","","","","","Synthesis","4","P -4 21 m","P -4 2ab","113","Sodium ethoxylate; sodium ethanolate","Sodium ethoxide","","- C2 H5 Na O -","- C2 H5 Na O -","- C4 H10 Na2 O2 -","2","0.25","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.58848","1.58217","","","","","","","has coordinates,has Fobs","261216","2021-01-26","05:40:29",""
"2108750","11.622","0.006","5.1926","0.0009","17.682","0.006","90","","104.08","0.03","90","","1035","0.7","238","2","238","2","","","101.3","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","sodium ethanolate ethanol disolvate","sodium ethoxide ethanol disolvate","","- C6 H17 Na O3 -","- C6 H17 Na O3 -","- C24 H68 Na4 O12 -","4","1","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","","x-ray","1.54178","CuKα","","0.1691","0.0842","","","0.2178","0.2709","","","","","","0.98","","","","has coordinates,has Fobs","261216","2021-01-26","05:40:30",""
"2108751","4.38439","0.00005","4.38439","0.00005","12.1431","0.0003","90","","90","","90","","233.425","0.007","298","","298","","","","","","","","Synthesis","4","P 4/n m m :2","-P 4a 2a","129","Sodium propoxide, Sodium propanolate","sodium 1-propoxide","","- C3 H7 Na O -","- C3 H7 Na O -","- C6 H14 Na2 O2 -","2","0.125","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.647","1.622","","","","","","","has coordinates,has Fobs","261216","2021-01-26","05:40:30",""
"2108752","4.43232","0.00009","4.43232","0.00009","14.0143","0.0008","90","","90","","90","","275.317","0.018","298","","298","","","","","","","","Synthesis","4","P 4/n m m :2","-P 4a 2a","129","Sodium butoxide, sodium n-butanolate","sodium 1-butoxide","","- C4 H9 Na O -","- C4 H9 Na O -","- C8 H18 Na2 O2 -","2","0.125","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","2.34","1.962","","","","","","","has coordinates,has Fobs","261216","2021-01-26","05:40:30",""
"2108753","4.4084","0.0002","4.4084","0.0002","16.9376","0.0012","90","","90","","90","","329.17","0.03","298","","298","","","","","","","","Synthesis","4","P 4/n m m :2","-P 4a 2a","129","Sodium amyloxide, sodium amylate","sodium 2-methyl-2-butoxide","","- C5 H11 Na O -","- C5 H11 Na O -","- C10 H22 Na2 O2 -","2","0.125","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","1.608","1.961","","","","","","","has coordinates,has Fobs","261216","2021-01-26","05:40:30",""
"2108754","21.2073","0.0018","17.1307","0.0013","17.825","0.002","90","","123.871","0.005","90","","5376.8","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sodium iso-propoxide iso-pentanol pentasolvate","sodium iso-propoxide iso-pentanol pentasolvate","","- C18 H47 Na O6 -","- C18 H47 Na O6 -","- C144 H376 Na8 O48 -","8","1","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","","x-ray","1.54178","CuKα","","0.1569","0.1215","","","0.3399","0.3669","","","","","","1.163","","","","has coordinates,has disorder,has Fobs","261216","2021-01-26","05:40:30",""
"2108755","23.745","0.005","5.075","0.0011","24.174","0.005","90","","111.589","0.01","90","","2708.7","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","sodium propoxide propanol disolvate, sodium n-propanolate n-propanol disolvate","sodium n-propoxide n-propanol disolvate","","- C9 H23 Na O3 -","- C9 H23 Na O3 -","- C72 H184 Na8 O24 -","8","1","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","","x-ray","1.54178","CuKα","","0.1246","0.0954","","","0.2682","0.2984","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","261216","2021-01-26","05:40:30",""
"2108756","10.126","0.0008","6.0299","0.0005","20.6944","0.0018","90","","104.16","","90","","1225.18","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","sodium tert-amyloxide tert-amylol solvate","sodium 2-methyl-2-butoxide 2-methyl-2-butanol solvate","","- C10 H23 Na O2 -","- C10 H23 Na O2 -","- C40 H92 Na4 O8 -","4","1","","Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas","Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates","Acta Crystallographica Section B","2021","77","1","","","10.1107/S205252062001584X","","x-ray","1.54178","CuKα","","0.0911","0.0574","","","0.147","0.1613","","","","","","1.008","","","","has coordinates","261216","2021-01-26","05:40:30",""
"2108757","8.6896","0.0001","10.891","0.0001","9.596","0.0001","90","","90.075","0.001","90","","908.15","0.016","99.98","0.1","99.98","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-Oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","1.54184","CuKα","","0.0346","0.0342","","","0.0844","0.0846","","","","","","1.085","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:10",""
"2108758","8.2707","0.0002","8.9022","0.0002","8.9217","0.0002","90","","90","","90","","656.88","0.03","122.98","0.1","122.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Xylitol","(2<i>R</i>,3<i>R</i>,4<i>S</i>)-Pentane-1,2,3,4,5-pentol","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0763","0.0768","","","","","","1.092","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:10",""
"2108759","13.17921","0.00017","13.20059","0.00019","6.21502","0.00011","90","","90","","90","","1081.25","0.03","123","0.1","123","0.1","","","","","","","","4","I b a m","-I 2 2c","72","Methyluracil","1-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","1.54184","CuKα","","0.0347","0.0336","","","0.102","0.1042","","","","","","1.095","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:13",""
"2108760","13.1643","0.0001","13.184","0.0002","6.2067","0.0002","90","","90","","90","","1077.22","0.04","123","","123","","","","","","","","","4","I b a m","-I 2 2c","72","Methyluracil","1-Methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","0.71073","MoKα","","0.0582","0.0444","","","0.1212","0.1294","","","","","","1.071","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:14",""
"2108761","8.6809","0.0006","10.8826","0.0007","9.6214","0.0008","90","","90.15","0.009","90","","908.94","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-Oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","","","neutron","","0.0953","0.0953","","","0.22","0.22","","","","","","1.563","","","","has coordinates","261217","2021-01-26","05:42:14",""
"2108762","12.5887","0.0007","6.9","0.0002","18.2523","0.0007","90","","107.227","0.005","90","","1514.31","0.12","100","0.11","100","","","","","","","","","3","C 1 2 1","C 2y","5","myo-inositol-2,3-D-camphor ketal","","","- C16 H26 O6 -","- C16 H26 O6 -","- C64 H104 O24 -","4","1","DQ5049","Savic, Viktor; Eder, Felix; Göb, Christian; Mihovilovic, Marko D.; Stanetty, Christian; Stöger, Berthold","The role of hydrogen bonding in the incommensurate modulation of <i>myo</i>-inositol camphor ketal","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620015929","","x-ray","1.54184","CuKα","","0.0535","0.0444","","","0.1383","0.1429","","","","2.56","2.56","2.09","","","","has coordinates","261218","2021-01-26","05:43:17",""
"2108763","12.8511","0.0002","12.8511","0.0002","12.8511","0.0002","90","","90","","90","","2122.37","0.06","2.5","0.5","2.5","0.5","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La3 Li6.072 O12 Ta1.12 Zr0.88 -","- La24 Li48.576 O96 Ta8.96 Zr7.04 -","8","0.0833333","","Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel","Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)","Acta Crystallographica Section B","2021","77","1","123","130","10.1107/S2052520620016145","","MLZ SR9B (hot source)","0.793","neutron","","0.0396","0.0225","","","0.0341","0.0375","","","","","","0.975","","","","has coordinates,has Fobs","261792","2021-02-05","14:51:41",""
"2108764","12.8592","0.0002","12.8592","0.0002","12.8592","0.0002","90","","90","","90","","2126.38","0.06","200","1","200","1","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La2.961 Li6.072 O12 Ta1.102 Zr0.898 -","- La23.688 Li48.576 O96 Ta8.816 Zr7.184 -","8","0.0833333","","Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel","Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)","Acta Crystallographica Section B","2021","77","1","123","130","10.1107/S2052520620016145","","MLZ SR9B (hot source)","0.793","neutron","","0.0657","0.0271","","","0.0328","0.0413","","","","","","0.974","","","","has coordinates,has Fobs","261792","2021-02-05","14:51:41",""
"2108765","12.8775","0.0002","12.8775","0.0002","12.8775","0.0002","90","","90","","90","","2135.48","0.06","300","1","300","1","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La3.003 Li6.0726 O12 Ta1.088 Zr0.912 -","- La24.024 Li48.5808 O96 Ta8.704 Zr7.296 -","8","0.0833333","","Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel","Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)","Acta Crystallographica Section B","2021","77","1","123","130","10.1107/S2052520620016145","","MLZ SR9B (hot source)","0.793","neutron","","0.0642","0.0259","","","0.0282","0.0328","","","","","","1.01","","","","has coordinates,has Fobs","261792","2021-02-05","14:51:41",""
"2108766","12.9051","0.0002","12.9051","0.0002","12.9051","0.0002","90","","90","","90","","2149.24","0.06","400","2","400","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- La3 Li6.27 O12 Ta1.09 Zr0.91 -","- La2.982 Li6.0732 O12 Ta1.092 Zr0.908 -","- La23.856 Li48.5856 O96 Ta8.736 Zr7.264 -","8","0.0833333","","Redhammer, Günther J.; Meven, Martin; Ganschow, Steffen; Tippelt, Gerold; Rettenwander, Daniel","Single-crystal neutron and X-ray diffraction study of garnet-type solid-state electrolyte Li~6~La~3~ZrTaO~12~: an <i>in situ</i> temperature-dependence investigation (2.5 {łeq} <i>T</i> {łeq} 873K)","Acta Crystallographica Section B","2021","77","1","123","130","10.1107/S2052520620016145","","MLZ SR9B (hot source)","0.793","neutron","","0.1174","0.0464","","","0.0479","0.0653","","","","","","1.352","","","","has coordinates,has Fobs","261792","2021-02-05","14:51:41",""
"2108767","21.221","0.0006","10.308","0.0003","19.4134","0.0005","90","","129.087","0.001","90","","3296.17","0.17","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 N6 O12 -","- C14 H6 N6 O12 -","- C112 H48 N48 O96 -","8","1","","Liu, Yunzhang; Chen, Lizhen; Wang, Jianlong; Chen, Jun; Wang, Jingqi; Pan, Hongxia","The crystal structure and thermal decomposition kinetics of <i>cis</i>-hexanitrostilbene","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620015371","","","0.71073","MoKα","","0.0567","0.0426","","","0.1043","0.1154","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","261293","2021-01-28","05:58:48",""
"2108768","9.9403","0.0003","11.5796","0.0003","16.0806","0.0005","90","","101.178","0.001","90","","1815.84","0.09","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{μ-2-methoxy-6-[8-(pyridin-2-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]phenolato}bis[thiocyanatonickel(II)]","","- C34 H32 N8 Ni2 O8 S2 -","- C34 H32 N8 Ni2 O8 S2 -","- C68 H64 N16 Ni4 O16 S4 -","2","0.5","RA5088","Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui","A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis","Acta Crystallographica Section B","2021","77","1","168","181","10.1107/S2052520620016157","","","0.71073","MoKα","","0.0852","0.0664","","","0.1562","0.1706","","","","","","1.049","","","","has coordinates,has Fobs","261791","2021-02-05","14:51:25",""
"2108769","11.6387","0.0004","10.0171","0.0004","14.794","0.0006","90","","96.348","0.002","90","","1714.2","0.11","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{μ-2-methoxy-6-[8-(pyridin-2-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]phenolato}bis[azidonickel(II)]","","- C32 H32 N12 Ni2 O8 -","- C32 H32 N12 Ni2 O8 -","- C64 H64 N24 Ni4 O16 -","2","0.5","RA5088","Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui","A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis","Acta Crystallographica Section B","2021","77","1","168","181","10.1107/S2052520620016157","","","1.54178","CuKα","","0.0679","0.057","","","0.1587","0.1752","","","","","","1.074","","","","has coordinates,has Fobs","261791","2021-02-05","14:51:25",""
"2108770","9.5255","0.0011","17.0181","0.0016","11.2611","0.0011","90","","93.25","0.01","90","","1822.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[{2-methoxy-6-[8-(pyridin-2-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]phenolato}nickel(II)]-μ-dicyanamidato]","","- C18 H16 N6 Ni O4 -","- C18 H16 N6 Ni O4 -","- C72 H64 N24 Ni4 O16 -","4","1","RA5088","Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui","A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis","Acta Crystallographica Section B","2021","77","1","168","181","10.1107/S2052520620016157","","","0.71073","MoKα","","0.1275","0.077","","","0.1517","0.1789","","","","","","1.03","","","","has coordinates,has Fobs","261791","2021-02-05","14:51:25",""
"2108771","6.7703","0.0004","11.8624","0.0005","6.7705","0.0004","90","","108.512","0.006","90","","515.62","0.05","293","","293","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2 Ge Se3 -","- Cu2 Ge Se3 -","- Cu8 Ge4 Se12 -","4","1","","Dugarte-Dugarte, Analio; Ramírez Pineda, Nahum; Nieves, Luis; Henao, José Antonio; Díaz de Delgado, Graciela; Delgado, José Miguel","The crystal structure of Cu~2~GeSe~3~ and the structure-types of the I~2~-IV-VI~3~ family of semiconducting compounds","Acta Crystallographica Section B","2021","77","1","158","167","10.1107/S2052520620016571","","x-ray","0.71075","MoKα","","0.0311","0.027","","","0.0741","0.077","","","","","","1.163","","","","has coordinates,has Fobs","261796","2021-02-05","14:52:10",""
"2108772","8.2993","0.0003","8.9697","0.0004","8.9693","0.0004","90","","90","","90","","667.69","0.05","286","0.1","286","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","UM5047","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","x-ray","0.71073","MoKα","","0.0369","0.0328","","","0.0754","0.0788","","","","","","1.064","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108773","8.2694","0.0003","8.9403","0.0012","8.8438","0.0009","90","","90","","90","","653.83","0.11","296","1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0282","0.0241","","","0.0538","0.0566","","","","","","1.122","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108774","8.2305","0.0002","8.8992","0.0011","8.7624","0.0008","90","","90","","90","","641.8","0.1","296","1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0263","0.0236","","","0.0575","0.0596","","","","","","1.127","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108775","8.2213","0.0004","8.883","0.002","8.7242","0.0017","90","","90","","90","","637.13","0.19","296","1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0235","0.0227","","","0.0509","0.0515","","","","","","1.209","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108776","8.204","0.002","8.854","0.002","8.6809","0.0007","90","","90","","90","","630.6","0.2","296","0.5","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0512","0.0339","","","0.0681","0.0765","","","","","","1.087","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108777","8.154","0.0005","8.7964","0.0016","8.561","0.0019","90","","90","","90","","614.04","0.18","296","0.6","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0568","0.0395","","","0.0583","0.0634","","","","","","1.09","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108778","8.105","0.009","8.752","0.006","8.462","0.002","90","","90","","90","","600.3","0.8","296","0.1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.1025","0.0544","","","0.1187","0.1382","","","","","","1.036","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108779","8.0845","0.0008","8.67","0.02","8.3725","0.0011","90","","90","","90","","586.9","1.4","296","0.2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0811","0.0409","","","0.0726","0.0879","","","","","","1.215","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108780","8.0696","0.0015","8.65","0.05","8.309","0.002","90","","90","","90","","580","3","296","0.2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0965","0.052","","","0.1061","0.1243","","","","","","1.164","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108781","8.0108","0.0004","8.627","0.0005","8.263","0.008","90","","90","","90","","571","0.6","293","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0446","0.0259","","","0.0411","0.0464","","","","","","1.055","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108782","7.9846","0.0014","8.6043","0.0011","8.179","0.012","90","","90","","90","","561.9","0.8","296","0.2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.1268","0.0547","","","0.0696","0.0827","","","","","","1.014","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108783","7.2924","0.0005","7.445","0.0005","8.0936","0.0006","97.966","0.007","103.385","0.007","115.659","0.005","370.76","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1-methyl-4-oxidopyridinium-3-carboxylato)zinc(II)","","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","- C14 H16 N2 O8 Zn -","1","0.5","LO5086","May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra","Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000299","","","1.54187","CuKα","","0.0292","0.0286","","","0.0747","0.0751","","","","","","1.164","","","","has coordinates,has Fobs","262344","2021-03-02","06:05:09",""
"2108784","8.2959","0.0003","10.1989","0.0004","10.3466","0.0004","70.187","0.005","82.585","0.006","79.659","0.006","808.01","0.06","138","2","138","2","","","","","","","","5","P -1","-P 1","2","","Aquabis(1,6-dimethyl-4-oxidopyridinium-3-carboxylato)zinc(II)","","- C16 H18 N2 O7 Zn -","- C16 H18 N2 O7 Zn -","- C32 H36 N4 O14 Zn2 -","2","1","LO5086","May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra","Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000299","","","1.54187","CuKα","","0.0364","0.0343","","","0.0863","0.0876","","","","","","1.073","","","","has coordinates,has Fobs","262344","2021-03-02","06:05:10",""
"2108785","10.8962","0.0004","10.3334","0.0003","16.6916","0.0007","90","","108.435","0.001","90","","1782.94","0.11","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(1,5-dimethyl-4-oxidopyridinium-3-carboxylato)zinc(II) dihydrate","","- C16 H22 N2 O9 Zn -","- C16 H22 N2 O9 Zn -","- C64 H88 N8 O36 Zn4 -","4","0.5","LO5086","May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra","Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000299","","","0.71073","MoKα","","0.0284","0.028","","","0.0743","0.0746","","","","","","1.186","","","","has coordinates,has Fobs","262344","2021-03-02","06:05:10",""
"2108786","7.9237","0.0005","8.574","0.0005","12.3954","0.0008","84.248","0.002","74.706","0.002","85.908","0.002","807.32","0.09","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-1-methyl-3-oxidopyridinium-4-carboxylato)bis[aqua(1-methyl-3-oxidopyridinium-4-carboxylato)zinc(II)] tetrahydrate'","","- C28 H36 N4 O18 Zn2 -","- C28 H36 N4 O18 Zn2 -","- C28 H36 N4 O18 Zn2 -","1","0.5","LO5086","May, Nóra Veronika; Nys, Kevin; Ching, H. Y. Vincent; Bereczki, Laura; Holczbauer, Tamás; Di Marco, Valerio B.; Bombicz, Petra","Crystal structures of zinc(II) complexes with β-hydroxypyridinecarboxylate ligands: examples of structure-directing effects used in inorganic crystal engineering","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000299","","","0.71073","MoKα","","0.0261","0.0244","","","0.0607","0.0632","","","","","","1.099","","","","has coordinates,has Fobs","262344","2021-03-02","06:05:10",""
"2108787","18.1614","0.0005","22.1885","0.0006","17.1716","0.0005","90","","110.894","0.003","90","","6464.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(phenazinium) tetracyanobis(hydrogen cyanide)ferrate(II) triscyanotris(hydrogen cyanide)ferrate(II)‒phenazine‒water (1/2/2)","","- C72 H52 Fe2 N22 O2 -","- C72 H52 Fe2 N22 O2 -","- C288 H208 Fe8 N88 O8 -","4","1","AW5051","Cvrtila, Ivica; Stilinović, Vladimir","Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000275","","","0.71073","MoKα","","0.0847","0.0313","","","0.0522","0.0568","","","","","","0.74","","","","has coordinates,has Fobs","262992","2021-03-11","06:03:10",""
"2108788","14.2252","0.0006","16.1364","0.0006","16.2813","0.0007","89.859","0.003","67.664","0.004","68.977","0.004","3187.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tris(phenazinium) tetracyanobis(hydrogen cyanide)ferrate(II) triscyanotris(hydrogen cyanide)ferrate(II)‒phenazine‒water (1/2/2)","","- C72 H52 Fe2 N22 O2 -","- C72 H52 Fe2 N22 O2 -","- C144 H104 Fe4 N44 O4 -","2","1","AW5051","Cvrtila, Ivica; Stilinović, Vladimir","Polymorphs of phenazine hexacyanoferrate(II) hydrate: supramolecular isomerism in a 2D hydrogen-bonded network","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000275","","","0.71073","MoKα","","0.0551","0.0363","","","0.0889","0.0923","","","","","","0.937","","","","has coordinates,has Fobs","262992","2021-03-11","06:03:22",""
"2108789","18.631","0.004","37.41","0.009","9.272","0.0008","90","","90.063","0.009","90","","6462","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Sodium aluminophosphate","Sodium aluminophosphate","","- Al3 Na6 O20 P5 -","- Al3 Na6 O20 P5 -","- Al48 Na96 O320 P80 -","16","2","","Yakubovich, Olga V.; Kiriukhina, Galina V.; Volkov, Anatoliy S.; Dimitrova, Olga V.; Borovikova, Elena Yu.","Novel aluminophosphate Na~6~[Al~3~P~5~O~20~] with the original microporous crystal structure established in the study of a pseudomerohedric microtwin","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001785","","","0.71073","MoKα","","0.0707","0.067","","","0.1501","0.1516","","","","","","1.191","","","","has coordinates,has Fobs","263023","2021-03-13","05:55:37",""
"2108790","12.0026","0.001","6.7859","0.0006","9.1005","0.0011","90","","88.835","0.009","90","","741.07","0.13","290","0.1","290","0.1","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C3 H17 Al N2 O14 S2 -","- C3 H17 Al N2 O14 S2 -","- C6 H34 Al2 N4 O28 S4 -","2","0.5","","Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław","Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001256","","","0.71073","MoKα","","0.0673","0.0498","","","0.1154","0.1214","","","","","","0.972","","","","has coordinates,has Fobs","263024","2021-03-13","05:56:11",""
"2108791","6.8748","0.0005","6.8748","0.0005","9.155","0.0012","90","","90","","120","","374.72","0.06","345","0.1","345","0.1","","","","","","","","6","P -3 m 1","-P 3 2""","164","Imidazolium hexa-aqua-aluminium disulphate","","","- C3 H17 Al N2 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","1","0.0833333","","Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław","Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001256","","","0.71073","MoKα","","0.0396","0.0339","","","0.0779","0.0793","","","","","","1.12","","","","has coordinates,has Fobs","263024","2021-03-13","05:56:12",""
"2108792","6.868","0.0004","6.868","0.0004","9.1617","0.001","90","","90","","120","","374.25","0.05","350","0.1","350","0.1","","","","","","","","6","P -3 m 1","-P 3 2""","164","Imidazolium hexa-aqua-aluminium disulphate","","","- C3 H17 Al N2 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","- C3 H16.9998 Al N1.9998 O14 S2 -","1","0.0833333","","Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław","Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001256","","","0.71073","MoKα","","0.0365","0.03","","","0.0777","0.08","","","","","","1.114","","","","has coordinates,has Fobs","263024","2021-03-13","05:56:12",""
"2108793","7.7498","0.0004","11.794","0.0006","17.2849","0.0007","90","","90","","90","","1579.86","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","","Meenatchi, Venkatasamy; Subramanian Siva; Meenakshisundaram, SP; Cheng, Liang","Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001517","","","0.71073","MoKα","","0.0578","0.0447","","","0.1119","0.1218","","","","","","1.053","","","","has coordinates,has Fobs","263112","2021-03-18","06:01:32",""
"2108794","7.905","0.002","12.723","0.003","14.678","0.004","90","","90","","90","","1476.2","0.7","99.98","0.13","99.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N5 O3 S -","- C11.9985 H14 Cu N5 O3 S -","- C47.994 H56 Cu4 N20 O12 S4 -","4","1","XK5077","Kowalska, Dorota A.; Kinzhybalo, Vasyl; Slyvka, Yuriy I.; Wołcyrz, Marek","Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001244","","x-ray","0.71073","MoKα","","0.0504","0.0376","","","0.0665","0.0687","","","","1.76","1.76","1.64","","","","has coordinates,has Fobs","263113","2021-03-18","06:02:12",""
"2108795","19.405","0.002","7.0885","0.0009","5.3988","0.0006","90","","96.739","0.011","90","","737.49","0.15","293","","293","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","","- Ba0.08 Ca0.16 Fe0.38 K0.36 Mg0.1 Mn0.18 Na2.77 O18 Si4 Sr1.45 Ti2.52 -","- Ba0.08 Ca0.16 Fe0.38 K0.36 Mg0.1 Mn0.18 Na2.77 O18 Si4 Sr1.45 Ti2.52 -","- Ba0.16 Ca0.32 Fe0.76 K0.72 Mg0.2 Mn0.36 Na5.54 O36 Si8 Sr2.9 Ti5.04 -","2","0.25","","Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.","Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000354","","x-ray","0.71075","MoKα","","0.056","0.0509","","","0.055","0.0565","","","","1.5","1.5","1.46","","","","has coordinates,has Fobs","263389","2021-03-27","05:57:34",""
"2108796","19.769","0.0007","7.1076","0.0001","5.4065","0.0002","90","","96.731","0.003","90","","754.43","0.04","293","","293","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","","- Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86 -","- Ba0.87 Ca0.17 Fe0.36 K0.45 Mg0.08 Mn0.24 Na2.46 O18 Si4 Sr0.51 Ti2.86 -","- Ba1.74 Ca0.34 Fe0.72 K0.9 Mg0.16 Mn0.48 Na4.92 O36 Si8 Sr1.02 Ti5.72 -","2","0.25","","Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.","Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000354","","x-ray","0.71075","MoKα","","0.0304","0.0302","","","0.0496","0.0497","","","","1.87","1.87","1.87","","","","has coordinates,has Fobs","263389","2021-03-27","05:57:35",""
"2108797","19.2231","0.0005","7.0832","0.0002","5.3907","0.0001","90","","96.859","0.002","90","","728.75","0.03","293","","293","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","","- Ba0 Ca0.15 Fe0.13 K0.09 Mg0.05 Mn0.35 Na2.8 O18 Si4 Sr1.5 Ti2.82 -","- Ca0.15 Fe0.13 K0.09 Mg0.05 Mn0.35 Na2.8 O18 Si4 Sr1.5 Ti2.82 -","- Ca0.3 Fe0.26 K0.18 Mg0.1 Mn0.7 Na5.6 O36 Si8 Sr3 Ti5.64 -","2","0.25","","Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.","Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000354","","x-ray","0.71075","MoKα","","0.0283","0.0266","","","0.039","0.0396","","","","1.47","1.47","1.46","","","","has coordinates,has Fobs","263389","2021-03-27","05:57:35",""
"2108798","19.8574","0.0005","7.1034","0.0001","5.4063","0.0001","90","","96.611","0.002","90","","757.52","0.03","293","","293","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","","- Ba1.15 Ca0.17 Fe0.53 K0.41 Mg0.12 Mn0.12 Na2.7 O18 Si4 Sr0.27 Ti2.53 -","- Ba1.15 Ca0.17 Fe0.53 K0.41 Mg0.12 Mn0.12 Na2.7 O18 Si4 Sr0.27 Ti2.53 -","- Ba2.3 Ca0.34 Fe1.06 K0.82 Mg0.24 Mn0.24 Na5.4 O36 Si8 Sr0.54 Ti5.06 -","2","0.25","","Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.","Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000354","","x-ray","0.71075","MoKα","","0.0294","0.0293","","","0.0706","0.0707","","","","2.17","2.17","2.17","","","","has coordinates,has Fobs","263389","2021-03-27","05:57:35",""
"2108799","19.2616","0.0007","7.0663","0.0002","5.3735","0.0002","90","","96.698","0.004","90","","726.39","0.04","293","","293","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","","- Ba0.05 Ca0.09 Fe0.46 K0.1 Mg0.17 Mn0.17 Na3.1 O18 Si4 Sr1.4 Ti2.43 -","- Ba0.05 Ca0.09 Fe0.46 K0.1 Mg0.17 Mn0.17 Na3.1 O18 Si4 Sr1.4 Ti2.43 -","- Ba0.1 Ca0.18 Fe0.92 K0.2 Mg0.34 Mn0.34 Na6.2 O36 Si8 Sr2.8 Ti4.86 -","2","0.25","","Aksenov, Sergey M.; Ryanskaya, Anastasia D.; Shchapova, Yuliya V.; Chukanov, Nikita V.; Vladykin, Nikolay V.; Votyakov, Sergey L.; Rastsvetaeva, Ramiza K.","Crystal chemistry of lamprophyllite-group minerals from the Murun alkaline complex (Russia) and pegmatites of Rocky Boy and Gordon Butte (USA): single crystal X-ray diffraction and Raman spectroscopy study","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000354","","x-ray","0.71075","MoKα","","0.0491","0.0411","","","0.0559","0.057","","","","1.78","1.78","1.69","","","","has coordinates,has Fobs","263389","2021-03-27","05:57:35",""
"2108800","22.9802","0.001","4.7448","0.0002","12.2026","0.0006","90","","96.534","0.002","90","","1321.89","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4'-Iodo-2-fluorochalcone","(2<i>E</i>)-3-(2-Fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one","","- C15 H10 F I O -","- C15 H10 F I O -","- C60 H40 F4 I4 O4 -","4","1","BM5139","Hamilton, Victoria; Harris, Connah; Hall, Charlie L.; Potticary, Jason; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Pridmore, Natalie E.; Sparkes, Hazel A.; Hall, Simon R.","Structural effects of halogen bonding in iodochalcones","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621002961","","","0.71073","MoKα","","0.0294","0.0235","","","0.0544","0.0566","","","","","","1.049","","","","has coordinates,has Fobs","265211","2021-05-14","04:50:24",""
"2108801","6.12","0.0002","10.7976","0.0003","20.3875","0.0007","103.101","0.002","95.16","0.002","98.186","0.002","1288.32","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","4'-Iodo-3-fluorochalcone","(2<i>E</i>)-3-(3-Fluorophenyl)-1-(4-iodophenyl)prop-2-en-1-one","","- C15 H10 F I O -","- C15 H10 F I O -","- C60 H40 F4 I4 O4 -","4","2","","Hamilton, Victoria; Harris, Connah; Hall, Charlie L.; Potticary, Jason; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Pridmore, Natalie E.; Sparkes, Hazel A.; Hall, Simon R.","Structural effects of halogen bonding in iodochalcones","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621002961","","","0.71073","MoKα","","0.029","0.0222","","","0.0491","0.0512","","","","","","1.042","","","","has coordinates,has Fobs","265211","2021-05-14","04:50:25",""
"2108802","17.9016","0.0007","5.8824","0.0002","25.4871","0.0009","90","","94.427","0.002","90","","2675.9","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4'-Iodo-4-nitrochalcone","(2<i>E</i>)-1-(4-Iodophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 I N O3 -","- C15 H10 I N O3 -","- C120 H80 I8 N8 O24 -","8","2","","Hamilton, Victoria; Harris, Connah; Hall, Charlie L.; Potticary, Jason; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Warren, Stephen D.; Pridmore, Natalie E.; Sparkes, Hazel A.; Hall, Simon R.","Structural effects of halogen bonding in iodochalcones","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621002961","","","0.71073","MoKα","","0.0464","0.0312","","","0.0661","0.0717","","","","","","1.029","","","","has coordinates,has Fobs","265211","2021-05-14","04:50:25",""
"2108803","7.0258","0.0003","17.1769","0.0005","8.1463","0.0007","90","","108.886","0.005","90","","930.18","0.1","297.1","0.4","297.1","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- As0.201 H10 O21 P0.799 Pb2 U3 -","- As1.166 H10 O21 P0.834 Pb2 U3 -","- As2.332 H20 O42 P1.668 Pb4 U6 -","2","0.5","","Plášil, Jakub; Petříček, Václav; Škácha, Pavel","Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004091","","x-ray","0.71073","MoKα","","0.075","0.0482","","","0.1181","0.1373","","","","1.1145","1.1145","1.067","","","","has coordinates","265241","2021-05-15","04:29:25",""
"2108804","7.0189","0.0007","17.137","0.001","8.131","0.001","90","","108.9","0.01","90","","925.29","0.17","296.8","","296.8","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- As0.195 O21 P0.805 Pb2 U3 -","- As1.194 O21 P0.806 Pb2 U3 -","- As2.388 O42 P1.612 Pb4 U6 -","2","0.5","","Plášil, Jakub; Petříček, Václav; Škácha, Pavel","Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004091","","x-ray","0.71073","MoKα","","0.1591","0.0763","","","0.1837","0.2263","","","","1.6968","1.6968","1.49","","","","has coordinates","265242","2021-05-15","04:29:58",""
"2108805","6.2484","0.0003","13.7976","0.0005","32.4874","0.0012","90","","90","","90","","2800.8","0.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenylethanaminium 4-(2,4,6-triisopropylbenzoyl)benzoate","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1232","0.0615","","","0.1044","0.1243","","","","","","1.022","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:21",""
"2108806","6.2711","0.0003","13.7242","0.0007","32.5405","0.0013","90","","90","","90","","2800.6","0.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.882 N O3 -","- C124 H155.528 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1554","0.0691","","","0.1079","0.1335","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108807","6.2975","0.0005","13.6726","0.0012","32.5998","0.0019","90","","90","","90","","2806.9","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.721 N O3 -","- C124 H154.884 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2021","0.0772","","","0.1273","0.1712","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108808","6.3387","0.0005","13.5668","0.001","32.6429","0.0016","90","","90","","90","","2807.2","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.56 N O3 -","- C124 H154.24 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2566","0.0855","","","0.1319","0.1888","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108809","6.3595","0.0005","13.5442","0.0011","32.6718","0.0016","90","","90","","90","","2814.2","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.023 H38.425 N O3.003 -","- C124.092 H153.7 N4 O12.012 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.26","0.0959","","","0.1412","0.1948","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108810","6.3663","0.0006","13.5168","0.0012","32.6694","0.0018","90","","90","","90","","2811.3","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.381 N O3 -","- C124 H153.524 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2591","0.0898","","","0.1486","0.2108","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108811","6.3696","0.0005","13.4941","0.001","32.6553","0.0015","90","","90","","90","","2806.8","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C30.977 H38.303 N O2.997 -","- C123.908 H153.212 N4 O11.988 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2673","0.0941","","","0.1279","0.1817","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108812","6.3861","0.0005","13.4799","0.001","32.6933","0.0017","90","","90","","90","","2814.4","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.305 N O3 -","- C124 H153.22 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2777","0.0898","","","0.145","0.2103","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108813","6.392","0.001","13.4462","0.0018","32.676","0.003","90","","90","","90","","2808.4","0.6","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.264 N O3 -","- C124 H153.056 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2725","0.0912","","","0.1557","0.2186","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108814","6.401","0.002","13.422","0.004","32.51","0.009","90","","90","","90","","2793.1","1.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.209 N O3 -","- C124 H152.836 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2813","0.0921","","","0.171","0.2469","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108815","6.1975","0.0008","13.744","0.003","32.378","0.017","90","","90","","90","","2757.9","1.6","299","2","299","2","100000","","100000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2058","0.0846","","","0.112","0.1504","","","","","","1.02","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:23",""
"2108816","5.9706","0.001","13.368","0.004","31.832","0.008","90","","90","","90","","2540.7","1.1","299","2","299","2","750000","","750000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.70932","MoKα","","0.1559","0.0668","","","0.1293","0.1646","","","","","","1.038","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:23",""
"2108817","5.9793","0.001","13.334","0.004","31.884","0.008","90","","90","","90","","2542","1.1","299","2","299","2","750000","","750000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.931 N O3 -","- C124 H155.724 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.70932","MoKα","","0.1729","0.0691","","","0.148","0.1886","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108818","5.9907","0.0012","13.301","0.005","31.928","0.009","90","","90","","90","","2544.1","1.3","299","2","299","2","750000","","750000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.745 N O3 -","- C124 H154.98 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.70932","MoKα","","0.2104","0.0785","","","0.1593","0.2033","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108819","6.2884","0.0003","13.7572","0.0005","32.703","0.0013","90","","90","","90","","2829.2","0.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.74 N O3 -","- C124 H154.96 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.0806","0.0539","","","0.1044","0.1143","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108820","5.9414","0.0008","13.381","0.003","31.662","0.018","90","","90","","90","","2517.2","1.6","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1702","0.0676","","","0.119","0.1639","","","","","","1.061","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:23",""
"2108821","5.9654","0.001","13.321","0.004","31.75","0.02","90","","90","","90","","2523","1.8","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.909 N O3 -","- C124 H155.636 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1821","0.0745","","","0.1188","0.16","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108822","5.9717","0.0012","13.299","0.005","31.81","0.03","90","","90","","90","","2526","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.87 N O3 -","- C124 H155.48 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2206","0.0877","","","0.1662","0.2473","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108823","5.9814","0.0012","13.288","0.005","31.81","0.03","90","","90","","90","","2528","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.842 N O3 -","- C124 H155.368 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2153","0.0835","","","0.1295","0.1815","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108824","5.985","0.0011","13.301","0.004","31.82","0.03","90","","90","","90","","2533","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.81 N O3 -","- C124 H155.24 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2337","0.0873","","","0.161","0.2342","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108825","5.9831","0.0015","13.294","0.004","31.84","0.03","90","","90","","90","","2533","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.77 N O3 -","- C124 H155.08 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2541","0.0857","","","0.1817","0.2621","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108826","5.9808","0.0013","13.293","0.004","31.84","0.03","90","","90","","90","","2531","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.013 H38.692 N O3.001 -","- C124.052 H154.768 N4 O12.004 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2485","0.0846","","","0.1682","0.2358","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108827","5.987","0.0015","13.257","0.005","31.84","0.03","90","","90","","90","","2527","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.633 N O3 -","- C124 H154.532 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2887","0.0998","","","0.1902","0.2801","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108828","5.997","0.002","13.267","0.007","31.79","0.05","90","","90","","90","","2529","4","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.013 H38.612 N O3.001 -","- C124.052 H154.448 N4 O12.004 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.3134","0.099","","","0.1836","0.2841","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108829","5.956","0.0005","13.3207","0.0011","31.89","0.03","90","","90","","90","","2530","2","295","2","295","","1500000","","1500000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.013 H38.683 N O3.001 -","- C124.052 H154.732 N4 O12.004 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","x-ray","0.6889","synchrotron","","0.1224","0.0794","","","0.2202","0.2555","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108830","9.6282","0.0003","9.5416","0.0004","11.6064","0.0004","90","","99.863","0.003","90","","1050.5","0.07","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O -","- C12 H13 N3 O -","- C48 H52 N12 O4 -","4","1","","Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.","Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621003498","","","1.54184","CuKα","","0.0816","0.0562","","","0.1563","0.1725","","","","","","1.078","","","","has coordinates,has Fobs","265499","2021-05-26","05:05:03",""
"2108831","13.0177","0.0003","5.6433","0.0014","15.4366","0.0004","90","","105.949","0.003","90","","1090.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.","Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621003498","","","1.54184","CuKα","","0.0519","0.0398","","","0.1113","0.1182","","","","","","1.057","","","","has coordinates,has Fobs","265499","2021-05-26","05:05:04",""
"2108832","10.6548","0.0003","12.6232","0.0003","22.9326","0.0006","90","","91.457","0.003","90","","3083.38","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C152 H136 N24 O16 -","8","2","","Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.","Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621003498","","","1.54184","CuKα","","0.071","0.0448","","","0.1061","0.1178","","","","","","0.965","","","","has coordinates,has Fobs","265499","2021-05-26","05:05:05",""
"2108833","7.5022","0.0004","14.2259","0.0006","10.4517","0.0006","90","","109.931","0.006","90","","1048.65","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Br2 Ca O12 -","- C12 H28 Br2 Ca O12 -","- C24 H56 Br4 Ca2 O24 -","2","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo","Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004637","","x-ray","1.54184","CuKα","","0.042","0.035","","","0.0713","0.0764","","","","","","1.057","","","","has coordinates,has Fobs","267320","2021-07-07","04:44:29",""
"2108834","7.6384","0.0003","14.4621","0.0004","10.749","0.0003","90","","109.233","0.004","90","","1121.14","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H28 Ca I2 O12 -","- C12 H28 Ca I2 O12 -","- C24 H56 Ca2 I4 O24 -","2","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Beccari, Fabio; Canepa, Carlo; Cariati, Elena; Cioci, Alma; Lo Presti, Leonardo","Crystal structure or chemical composition of salt‒sugar-based metal‒organic frameworks: what are the nonlinear optical properties due to?","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004637","","x-ray","1.54184","CuKα","","0.0332","0.0316","","","0.078","0.0792","","","","","","1.039","","","","has coordinates,has Fobs","267320","2021-07-07","04:44:29",""
"2108835","12.1709","0.0004","14.5397","0.0005","8.2078","0.0002","90","","105.485","0.001","90","","1399.74","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(iodomethyl)-2,3-dihydro-[1,4]thiazino[2,3,4-ij]quinolin-4-ium monoiodide","","","- C12 H11 I2 N S -","- C12 H11 I2 N S -","- C48 H44 I8 N4 S4 -","4","1","","Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina","The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004571","","","0.41426","synchrotron","","0.0248","0.022","","","0.0555","0.0568","","","","","","1.064","","","","has coordinates,has Fobs","267585","2021-07-16","05:08:58",""
"2108836","8.1178","0.0002","12.0928","0.0003","14.4689","0.0003","88.1883","0.0007","89.472","0.0006","73.9234","0.0008","1364.14","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","3-(iodomethyl)-2,3-dihydro-[1,4]thiazino[2,3,4-ij]quinolin-4-ium monoiodide","","- C12 H11 I2 N S -","- C12 H11 I2 N S -","- C48 H44 I8 N4 S4 -","4","2","","Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina","The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004571","","","0.41426","synchrotron","","0.0344","0.0292","","","0.0776","0.0801","","","","","","1.067","","","","has coordinates,has Fobs","267585","2021-07-16","05:09:05",""
"2108837","13.7324","0.0004","24.4482","0.0007","8.2375","0.0002","90","","96.1485","0.0008","90","","2749.69","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","8-chloro-3-(iodomethyl)-2,3-dihydro-[1,4]oxazino[2,3,4-ij] quinolin-4-ium monoiodide","","- C12 H10 Cl I2 N O -","- C12 H10 Cl I2 N O -","- C96 H80 Cl8 I16 N8 O8 -","8","1","","Yushina, Irina; Krylov, Alexander; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, Ekaterina","The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004571","","","0.41426","synchrotron","","0.0319","0.0247","","","0.0639","0.0648","","","","","","1.069","","","","has coordinates,has Fobs","267585","2021-07-16","05:09:11",""
"2108838","9.8348","0.0003","18.0035","0.0006","5.2825","0.0002","90","","104.996","0.0008","90","","903.47","0.05","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","tremolite","","","- Al0.68 Ca1.99 F0.33 H1.61 K0.2 Mg5.09 O23.67 Si7.32 -","- Al0.68 Ca1.9878 F0.331 H1.609 K0.2008 Mg5.0876 O23.67 Si7.32 -","- Al1.36 Ca3.9756 F0.662 H3.218 K0.4016 Mg10.1752 O47.34 Si14.64 -","2","0.25","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando","Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004844","","x-ray","0.71073","MoKα","","0.0147","0.0132","","","0.0309","0.0314","","","","","","1.117","","","","has coordinates,has Fobs","267586","2021-07-16","05:10:19",""
"2108839","9.84053","0.00005","18.0234","0.0001","5.28475","0.00003","90","","104.956","0.0004","90","","905.55","0.009","303","2","298","2","","","","","","","Merelani, Tanzania","8","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.68 Ca1.98 F0.34 H1.66 K0.265 Mg5.045 O23.66 Si7.32 -","- Al0.68 Ca1.98 F0.34 H1.66 K0.2648 Mg5.045 O23.66 Si7.32 -","- Al1.36 Ca3.96 F0.68 H3.32 K0.5296 Mg10.09 O47.32 Si14.64 -","2","0.25","","Ballirano, Paolo; Celata, Beatrice; Pacella, Alessandro; Bosi, Ferdinando","Recommended X-ray single-crystal structure refinement and Rietveld refinement procedure for tremolite","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004844","powder diffraction","","1.54178","CuKα","","","","","","","","","0.0147","3.768","","","","","","","has coordinates,has Fobs","267586","2021-07-16","05:10:19",""
"2108840","14.7","0.007","10.319","0.005","6.308","0.003","90","","103.685","0.011","90","","929.7","0.8","296","","296.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H12 Br5 Cr N4 -","- C8 H12 Br5 Cr N4 -","- C16 H24 Br10 Cr2 N8 -","2","0.25","","Dissanayaka Mudiyanselage, Ranuri S.; Kong, Tai; Xie, Weiwei","Crystal growth and physical properties of an antiferromagnetic molecule: <i>trans</i>-dibromidotetrakis(acetonitrile)chromium(III) tribromide, [CrBr~2~(NCCH~3~)~4~](Br~3~)","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621004662","","","0.71073","MoKα","","0.0811","0.0464","","","0.1055","0.1194","","","","","","1.017","","","","has coordinates,has Fobs","267780","2021-07-28","05:19:58",""
"2108841","5.3282","0.0001","5.3282","","10.3363","0.0002","90","","90","","90","","293.445","0.008","293","","293","","","","","","","","","4","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","","","- H8 Mg O8 Te -","- Mg O8 Te -","- Mg2 O16 Te2 -","2","","RA5097","Stöger, Berthold; Krüger, Hannes; Weil, Matthias","Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006223","","x-ray","0.71073","MoKα","","0.0121","0.0121","","","0.0313","0.0313","","","","1.33","1.33","1.33","","","","has coordinates,has Fobs","267781","2021-07-28","05:20:45",""
"2108842","5.3268","0.0001","5.3268","","20.6747","0.0004","90","","90","","90","","586.64","0.016","293","","293","","","","","","","","","4","I 41/a m d :1","I 4bw 2bw -1bw","141","","","","- H8 Mg O8 Te -","- Mg O8 Te -","- Mg4 O32 Te4 -","4","0.125","","Stöger, Berthold; Krüger, Hannes; Weil, Matthias","Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006223","","x-ray","0.71073","MoKα","","0.0239","0.0204","","","0.0738","0.0782","","","","1.62","1.62","1.61","","","","has coordinates,has Fobs","267781","2021-07-28","05:20:48",""
"2108843","5.3282","0.0001","5.3282","","20.6725","0.0004","90","","90","","90","","586.886","0.016","293","","293","","","","","","","","","4","I 41/a :1","I 4bw -1bw","88","","","","- H8 Mg O8 Te -","- Mg O8 Te -","- Mg4 O32 Te4 -","4","0.25","","Stöger, Berthold; Krüger, Hannes; Weil, Matthias","Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006223","","x-ray","0.71073","MoKα","","0.0218","0.0176","","","0.0629","0.0678","","","","1.35","1.35","1.34","","","","has coordinates,has Fobs","267781","2021-07-28","05:20:50",""
"2108844","5.3282","0.0001","5.3282","","20.6725","0.0004","90","","90","","90","","586.886","0.016","293","","293","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- H8 Mg O8 Te -","- Mg O8 Te -","- Mg4 O32 Te4 -","4","0.25","","Stöger, Berthold; Krüger, Hannes; Weil, Matthias","Mg(H~2~O)~2~[TeO~2~(OH)~4~]: a polytypic structure with a two-mode disordered stacking arrangement","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006223","","x-ray","0.71073","MoKα","","0.0196","0.0166","","","0.0537","0.0581","","","","1.17","1.17","1.17","","","","has coordinates,has Fobs","267781","2021-07-28","05:20:50",""
"2108845","15.4577","0.0001","15.4577","0.0001","15.4577","0.0001","90","","90","","90","","3693.47","0.04","100","2","100","2","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Cd109.89 Mg35.29 Y24 -","- Cd109.892 Mg35.2872 Y24 -","- Cd109.892 Mg35.2872 Y24 -","1","0.0208333","","Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid","2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006715","","x-ray","0.71073","MoKα","","0.0227","0.0224","","","0.0508","0.0509","","","","","","1.245","","","","has coordinates,has Fobs","267782","2021-07-28","05:22:16",""
"2108846","25.0654","0.0001","25.0654","0.0001","25.0654","0.0001","90","","90","","90","","15748","0.11","298","2","298","2","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- Cd432.91 Mg177.41 Y90.4 -","- Cd432.911 Mg177.409 Y90.4 -","- Cd432.911 Mg177.409 Y90.4 -","1","0.0416667","","Yamada, Tsunetomo; Fujita, Nobuhisa; Labib, Farid","2/1 and 1/1 cubic approximants in the ternary <i>R</i>-Cd-Mg (<i>R</i> = Y, Er) systems","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006715","","x-ray","0.71073","MoKα","","0.04","0.038","","","0.0897","0.0907","","","","","","1.167","","","","has coordinates,has Fobs","267782","2021-07-28","05:22:17",""
"2108847","12.9832","0.0008","8.3806","0.0006","15.5159","0.001","90","","113.276","0.007","90","","1550.8","0.2","270","0.1","270","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C48 H24 Br24 -","8","2","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0862","0.0395","","","0.0668","0.0753","","","","","","0.976","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:46",""
"2108848","12.8999","0.0007","8.3264","0.0005","15.4925","0.0008","90","","113.204","0.006","90","","1529.44","0.16","200","0.1","200","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C48 H24 Br24 -","8","2","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0623","0.0349","","","0.0622","0.0676","","","","","","1.003","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:46",""
"2108849","12.7973","0.0005","8.2623","0.0003","15.4666","0.0006","90","","113.102","0.005","90","","1504.22","0.11","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C48 H24 Br24 -","8","2","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.042","0.0271","","","0.0515","0.0545","","","","","","1.043","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108850","29.408","0.003","79.439","0.006","3.9865","0.0004","90","","90","","90","","9313","1.5","270","0.1","270","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C288 H144 Br144 -","48","3","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.1525","0.0672","","","0.1277","0.1604","","","","","","0.948","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108851","29.383","0.002","79.163","0.004","3.9713","0.0003","90","","90","","90","","9237.4","1","200","0.1","200","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C288 H144 Br144 -","48","3","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.108","0.0621","","","0.1165","0.1373","","","","","","1.004","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108852","29.313","0.002","78.645","0.004","3.932","0.0002","90","","90","","90","","9064.5","0.9","100","0.1","100","0.1","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C288 H144 Br144 -","48","3","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0863","0.0613","","","0.1202","0.1348","","","","","","1.069","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108853","4.06406","0.00018","13.5231","0.0006","14.1996","0.0006","90","","90","","90","","780.39","0.06","270","0.1","270","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C24 H12 Br12 -","4","1","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0414","0.0296","","","0.0536","0.0563","","","","","","1","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108854","4.03673","0.00014","13.4739","0.0004","14.1499","0.0005","90","","90","","90","","769.62","0.04","200","0.1","200","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C24 H12 Br12 -","4","1","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0264","0.0216","","","0.036","0.037","","","","","","0.995","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108855","4.00341","0.00011","13.4119","0.0003","14.0916","0.0004","90","","90","","90","","756.62","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C24 H12 Br12 -","4","1","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0213","0.0184","","","0.0352","0.0357","","","","","","1.011","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108856","17.5447","0.0017","25.9863","0.0021","3.76308","0.00058","90","","95.336","0.016","90","","1708.2","0.3","295","","295","","","","","","","","Commercial sample Hostaperm Green GNX, used whitout further treatment","4","C 1 2/m 1","-C 2y","12","Pigment Green 7, Hostaperm Green GNX, Solid solution of CuPcCl16 (main component), CuPcHCl15, CuPcH2Cl14, CuPcH3Cl13 and CuPcH4Cl12. Average composition Cu C32 N8 H1.2 Cl14.8","Perchloro-copper-phthalocyanine","","- C32 Cl16 Cu N8 -","- C32 Cl16 Cu N8 -","- C64 Cl32 Cu2 N16 -","2","0.25","","Gorelik, Tatiana E.; Habermehl, Stefan; Shubin, Aleksandr A.; Gruene, Tim; Yoshida, Kaname; Oleynikov, Peter; Kaiser, Ute; Schmidt, Martin U.","Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006806","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","1.113","2.079","","","","","","","has coordinates,has Fobs","287932","2023-12-01","13:55:18",""
"2108857","36.522","0.003","3.82815","0.00013","28.639","0.002","90","","129.573","0.012","90","","3086.4","0.6","100","2","100","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","XK5085","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","x-ray","0.71073","MoKα","","0.057","0.0361","","","0.0808","0.0853","","","","","","0.913","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:21",""
"2108858","36.534","0.003","3.84179","0.00016","28.656","0.002","90","","129.598","0.012","90","","3099.1","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","x-ray","0.71073","MoKα","","0.0632","0.0374","","","0.0837","0.0891","","","","","","0.913","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:28",""
"2108859","36.553","0.003","3.85466","0.00015","28.687","0.002","90","","129.646","0.012","90","","3112.3","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","x-ray","0.71073","MoKα","","0.0564","0.0318","","","0.0699","0.074","","","","","","0.902","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:28",""
"2108860","36.575","0.003","3.86969","0.00017","28.723","0.002","90","","129.689","0.013","90","","3128.3","0.7","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","x-ray","0.71073","MoKα","","0.0623","0.0333","","","0.0696","0.0741","","","","","","0.899","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:28",""
"2108861","36.591","0.003","3.88466","0.0002","28.759","0.003","90","","129.719","0.015","90","","3144.4","0.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","potassium{2-amino-6-oxo-1-hydro-purine-7(9)-ide/2-amino-6-oxo-7-hydro-purine-1(3)-ide}monohydrate","","- C10 H12 K2 N10 O4 -","- C10 H12 K2 N10 O4 -","- C80 H96 K16 N80 O32 -","8","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","x-ray","0.71073","MoKα","","0.0727","0.0346","","","0.0708","0.0769","","","","","","0.868","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:28",""
"2108862","10.529","0.0002","11.6677","0.0002","11.1762","0.0003","90","","101.608","0.002","90","","1344.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.04","0.0317","","","0.0771","0.0868","","","","","","1.093","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:28",""
"2108863","10.5297","0.0002","11.67487","0.00019","11.1843","0.0002","90","","101.584","0.002","90","","1346.91","0.04","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0392","0.0311","","","0.0752","0.0828","","","","","","1.057","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:28",""
"2108864","10.5318","0.0002","11.68404","0.00019","11.1931","0.0002","90","","101.563","0.002","90","","1349.4","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.04","0.0319","","","0.0791","0.0877","","","","","","1.053","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108865","10.534","0.0002","11.69648","0.00019","11.2042","0.0002","90","","101.545","0.002","90","","1352.55","0.04","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0424","0.0327","","","0.0783","0.091","","","","","","1.076","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108866","10.5373","0.0002","11.70992","0.00019","11.2176","0.0002","90","","101.523","0.002","90","","1356.25","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0424","0.0327","","","0.0846","0.0949","","","","","","1.106","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108867","10.5404","0.0002","11.7241","0.0002","11.2296","0.0003","90","","101.504","0.002","90","","1359.84","0.05","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0442","0.033","","","0.082","0.0921","","","","","","1.071","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108868","10.544","0.0002","11.7396","0.0002","11.2426","0.0003","90","","101.476","0.002","90","","1363.81","0.05","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0463","0.0336","","","0.0831","0.0964","","","","","","1.096","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108869","10.5488","0.0002","11.7577","0.0002","11.2563","0.0003","90","","101.456","0.002","90","","1368.3","0.05","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0487","0.0355","","","0.0913","0.1117","","","","","","1.095","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108870","10.553","0.0002","11.7759","0.0002","11.2683","0.0003","90","","101.41","0.002","90","","1372.65","0.05","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","disodium 2-amino-6-oxo-6,7-dihydro-1H-purine-1,7-diide heptahydrate","","- C5 H17 N5 Na2 O8 -","- C5 H17 N5 Na2 O8 -","- C20 H68 N20 Na8 O32 -","4","1","","Gaydamaka, Anna A.; Arkhipov, Sergey G.; Boldyreva, Elena V.","A new guaninate hydrate K^+^·C~5~H~4~N~5~O^{-^}·H~2~O: crystal structure from 100 to 300K in a comparison with 2Na^+^·C~5~H~3~N~5~O^2{-^}·7H~2~O","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100754X","","","0.71073","MoKα","","0.0491","0.0353","","","0.0857","0.0973","","","","","","1.051","","","","has coordinates,has Fobs","269238","2021-09-22","01:44:29",""
"2108871","27.8842","0.0004","10.19431","0.00013","12.45639","0.00017","90","","102.911","0.0014","90","","3451.34","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(<i>N</i>,<i>N</i>-dimethylethane-1,2-diammonium) bis[hexachloridobismuthate(III)]","","- C12 H42 Bi2 Cl12 N6 -","- C12 H42 Bi2 Cl12 N6 -","- C48 H168 Bi8 Cl48 N24 -","4","0.5","","Bujak, Maciej","Understanding distortions of inorganic substructures in chloridobismuthates(III)","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621004753","","","0.71073","MoKα","","0.0179","0.0156","","","0.036","0.0368","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","269239","2021-09-22","01:45:42",""
"2108872","27.5447","0.0003","10.14187","0.00011","12.38379","0.00014","90","","102.906","0.0012","90","","3372.08","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(<i>N</i>,<i>N</i>-dimethylethane-1,2-diammonium) bis[hexachloridobismuthate(III)]","","- C12 H42 Bi2 Cl12 N6 -","- C12 H42 Bi2 Cl12 N6 -","- C48 H168 Bi8 Cl48 N24 -","4","0.5","","Bujak, Maciej","Understanding distortions of inorganic substructures in chloridobismuthates(III)","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621004753","","","0.71073","MoKα","","0.0165","0.0156","","","0.037","0.0373","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","269239","2021-09-22","01:45:43",""
"2108873","7.60312","0.00009","12.50404","0.00014","13.63023","0.00015","90","","90","","90","","1295.82","0.03","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>-dimethylethane-1,2-diammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]","","- C4 H14 Bi Cl5 N2 -","- C4 H14 Bi Cl5 N2 -","- C16 H56 Bi4 Cl20 N8 -","4","1","","Bujak, Maciej","Understanding distortions of inorganic substructures in chloridobismuthates(III)","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621004753","","","0.71073","MoKα","","0.0104","0.01","","","0.0236","0.0237","","","","","","1.143","","","","has coordinates,has Fobs","269239","2021-09-22","01:45:43",""
"2108874","10.57031","0.00017","29.2063","0.0004","12.04367","0.00019","90","","106.634","0.0017","90","","3562.52","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tris(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidinium) tri-μ-chlorido-bis[trichloridobismuthate(III)]","","- C15 H42 Bi2 Cl9 N9 -","- C15 H42 Bi2 Cl9 N9 -","- C60 H168 Bi8 Cl36 N36 -","4","1","","Bujak, Maciej","Understanding distortions of inorganic substructures in chloridobismuthates(III)","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621004753","","","0.71073","MoKα","","0.0239","0.0181","","","0.0358","0.037","","","","","","1.028","","","","has coordinates,has Fobs","269239","2021-09-22","01:45:43",""
"2108875","7.7179","0.0003","10.566","0.0005","18.0362","0.0007","95.585","0.003","91.008","0.003","110.965","0.004","1364.74","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylguanidinium [[dichloridobismuthate(III)]-di-μ-chlorido]]","","- C5 H14 Bi Cl4 N3 -","- C5 H14 Bi Cl4 N3 -","- C20 H56 Bi4 Cl16 N12 -","4","2","","Bujak, Maciej","Understanding distortions of inorganic substructures in chloridobismuthates(III)","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621004753","","","0.71073","MoKα","","0.0312","0.0257","","","0.0575","0.0594","","","","","","1.077","","","","has coordinates,has Fobs","269239","2021-09-22","01:45:43",""
"2108876","5.1651","0.0002","7.2324","0.0002","9.4957","0.0003","90","","97.065","0.002","90","","352.03","0.02","5","","5","","","","","","","","","4","P 1 21 1","P 2yb","4","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","UM5050","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.0933","0.0601","","","0.0769","0.0816","","","","","","1.212","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:03",""
"2108877","5.1656","0.0002","7.2761","0.0003","9.4978","0.0003","90","","97.316","0.003","90","","354.07","0.02","105","","105","","","","","","","","","4","P 1 21 1","P 2yb","4","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.1021","0.0501","","","0.0623","0.0714","","","","","","1.004","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108878","5.1854","0.0008","7.3998","0.001","9.4976","0.0012","90","","98.182","0.01","90","","360.72","0.09","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.1244","0.0533","","","0.0628","0.0746","","","","","","1.106","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108879","5.1498","0.0002","7.1902","0.0002","18.8503","0.0006","90","","90","","90","","697.99","0.04","5","","5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.0715","0.0475","","","0.0649","0.0692","","","","","","1.153","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108880","5.1521","0.001","7.2228","0.0002","18.844","0.0006","90","","90","","90","","701.23","0.14","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.0886","0.0522","","","0.0677","0.0739","","","","","","1.145","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108881","5.169","0.0003","7.343","0.0005","18.8317","0.0013","90","","90","","90","","714.78","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.1019","0.0543","","","0.0704","0.0779","","","","","","1.19","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108882","5.1651","0.0002","7.2324","0.0002","9.4957","0.0003","90","","97.065","0.002","90","","352.03","0.02","5","","5","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0178","0.0167","","","0.0284","0.0286","","","","","","1.276","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108883","5.1656","0.0002","7.2761","0.0003","9.4978","0.0003","90","","97.316","0.003","90","","354.07","0.02","105","","105","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0248","0.0218","","","0.031","0.0315","","","","","","1.1832","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108884","5.1854","0.0008","7.3998","0.001","9.4976","0.0012","90","","98.182","0.01","90","","360.72","0.09","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0286","0.0247","","","0.0475","0.0486","","","","","","1.3485","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108885","5.1498","0.0002","7.1902","0.0002","18.8503","0.0006","90","","90","","90","","697.99","0.04","5","","5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0316","0.0322","","","","","","1.1312","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108886","5.1521","0.0001","7.2228","0.0002","18.844","0.0006","90","","90","","90","","701.23","0.03","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0274","0.0226","","","0.0365","0.0375","","","","","","1.1223","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108887","5.169","0.0003","7.343","0.0005","18.8317","0.0013","90","","90","","90","","714.78","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0388","0.0287","","","0.0518","0.0539","","","","","","1.1144","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108888","15.2568","0.0004","14.5155","0.0004","15.455","0.0004","90","","92.086","0.001","90","","3420.4","0.16","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H62 Cl2 Cu4 N12 O34 -","- C58 H62 Cl2 Cu4 N12 O34 -","- C116 H124 Cl4 Cu8 N24 O68 -","2","0.5","LO5094","Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui","Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621008441","","","0.71073","MoKα","","0.0384","0.0356","","","0.0868","0.0888","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","269252","2021-09-23","01:37:04",""
"2108889","15.1553","0.0006","15.2135","0.0006","15.1959","0.0006","90","","94.292","0.001","90","","3493.8","0.2","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cu4 N14 O32 -","- C62 H70 Cu4 N14 O32 -","- C124 H140 Cu8 N28 O64 -","2","0.5","","Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui","Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621008441","","","0.71073","MoKα","","0.0899","0.0519","","","0.0918","0.1013","","","","","","1.062","","","","has coordinates,has Fobs","269252","2021-09-23","01:37:05",""
"2108890","14.333","0.0004","17.1049","0.0004","16.3502","0.0005","90","","101.859","0.002","90","","3922.93","0.19","173","2","173","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H31 Br2 Cl3 Cu2 N6 O12 -","- C30 H31 Br2 Cl3 Cu2 N6 O12 -","- C120 H124 Br8 Cl12 Cu8 N24 O48 -","4","1","","Li, Peng; Zhang, Ting; Li, Li-Li; Dong, Wen-Kui","Self-assembling of three rare structurally various homomultinuclear Cu^II^ complexes derived from a bis(salamo)-based multioxime ligand","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621008441","","","0.71073","MoKα","","0.0299","0.0258","","","0.0666","0.0678","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","269252","2021-09-23","01:37:05",""
"2108891","12.1054","0.0002","13.5537","0.0002","5.20741","0.00008","90","","90","","90","","854.4","0.02","298","","298","","","","","","","","","4","A m a 2","A 2 -2a","40","glycolaldehyde ammonia","","","- C6 H12 N3 O3 -","- C6 H12 N3 O3 -","- C24 H48 N12 O12 -","4","0.5","","Gallo, Gianpiero; Terban, Maxwell W.; Moudrakovski, Igor; Huber, Tatjana; Etter, Martin; Ernst, Martin; Hinrichsen, Bernd; Dinnebier, Robert E.","A previously unknown cyclic alkanolamine and molecular ranking using the pair distribution function","Acta Crystallographica Section B","2021","77","6","986","995","10.1107/S2052520621010088","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.053","","","","","","","","","has coordinates","271660","2022-01-01","04:07:53",""
"2108892","7.3288","0.0001","8.5032","0.0001","9.9467","0.0001","90","","111.29","0.001","90","","577.558","0.013","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Hydrochlorothiazide","6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiadiazine-7- sulfonamide","","- C7 H8 Cl N3 O4 S2 -","- C7 H8 Cl N3 O4 S2 -","- C14 H16 Cl2 N6 O8 S4 -","2","1","","Wojnarska, Joanna; Gryl, Marlena; Seidler, Tomasz; Stadnicka, Katarzyna Marta","Investigation of polar crystalline materials containing hydrochlorothiazide: electron density distribution and optical properties","Acta Crystallographica Section B","2021","77","6","965","973","10.1107/S2052520621009914","","x-ray","0.71073","MoKα","","0.024","0.02","","","","0.019","","","","","","0.996","","","","has coordinates","271661","2022-01-01","04:08:22",""
"2108893","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","100","2","100","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0461","0.0461","","","0.0791","0.064","","","","","","1.08","","","","has coordinates,has Fobs","271662","2022-01-01","04:12:14",""
"2108894","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0344","0.0344","","","0.0383","0.046","","","","","","1.009","","","","has coordinates","271662","2022-01-01","04:12:15",""
"2108895","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","100","2","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0624","0.0409","","","0.0968","0.108","","","","","","1.038","","","","has coordinates","271662","2022-01-01","04:12:15",""
"2108896","13.6648","0.0004","11.9321","0.0003","12.9678","0.0004","90","","90","","90","","2114.4","0.1","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C96 H88 N8 O40 -","8","2","","Iqbal, Alia; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering of co-crystal of nicotinic acid and pyrogallol: an experimental and theoretical electron density analysis","Acta Crystallographica Section B","2021","77","6","1035","1047","10.1107/S2052520621009124","","","0.71073","MoKα","","0.0045","0.0045","","","0.0045","0.0046","","","","","","0.088","","","","has coordinates,has Fobs","279947","2022-12-20","10:58:45",""
"2108897","5.913","0.0012","15.305","0.003","22.257","0.004","90","","90","","90","","2014.2","0.7","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon","Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments","Acta Crystallographica Section B","2021","77","6","892","905","10.1107/S2052520621009379","","x-ray","0.3567","synchrotron","","0.0736","0.0722","","","0.1849","0.1864","","","","","","1.0354","","","","has coordinates,has disorder,has Fobs","271663","2022-01-01","04:14:45",""
"2108898","6.816","0.0014","12.721","0.003","23.613","0.005","90","","90","","90","","2047.4","0.8","25","","25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O2 Si -","- C20 H29 N O2 Si -","- C80 H116 N4 O8 Si4 -","4","1","","Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon","Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments","Acta Crystallographica Section B","2021","77","6","892","905","10.1107/S2052520621009379","","x-ray","0.3567","synchrotron","","0.1176","0.0802","","","0.1854","0.2065","","","","","","1.0695","","","","has coordinates,has disorder,has Fobs","271663","2022-01-01","04:14:46",""
"2108899","9.3033","0.0006","14.8134","0.001","29.664","0.002","90","","90","","90","","4088.1","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N4 O4 -","- C19 H32 N4 O4 -","- C152 H256 N32 O32 -","8","2","","Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon","Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments","Acta Crystallographica Section B","2021","77","6","892","905","10.1107/S2052520621009379","","","0.71073","MoKα","","0.1039","0.1009","","","0.2093","0.211","","","","","","1.0522","","","","has coordinates,has disorder,has Fobs","271663","2022-01-01","04:14:46",""
"2108900","16.2131","0.0008","13.0362","0.0006","6.3015","0.0003","90","","99.572","0.002","90","","1313.32","0.11","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H15 O15 Rh -","- C4 H15 O15 Rh -","- C16 H60 O60 Rh4 -","4","0.5","YH5016","Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey","Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid","Acta Crystallographica Section B","2021","77","6","1048","1054","10.1107/S205252062101115X","","","0.71073","MoKα","","0.0313","0.0277","","","0.0598","0.0618","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","271664","2022-01-01","04:16:21",""
"2108901","5.55","0.0011","6.44","0.0013","8.59","0.0017","94.2","0.03","99.4","0.03","98.1","0.03","298.42","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H11 Na2 O14 Rh -","- C4 H11 Na2 O14 Rh -","- C4 H11 Na2 O14 Rh -","1","0.5","","Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey","Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid","Acta Crystallographica Section B","2021","77","6","1048","1054","10.1107/S205252062101115X","","","0.71073","MoKα","","0.0172","0.017","","","0.0421","0.0426","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","271664","2022-01-01","04:16:22",""
"2108902","5.2554","0.0002","6.4584","0.0002","8.2102","0.0002","97.796","0.001","92.099","0.001","112.113","0.001","254.612","0.014","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Na O12 Rh -","- C4 H8 Na O12 Rh -","- C4 H8 Na O12 Rh -","1","0.5","","Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey","Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid","Acta Crystallographica Section B","2021","77","6","1048","1054","10.1107/S205252062101115X","","","0.71073","MoKα","","0.0157","0.0156","","","0.0416","0.042","","","","","","1.113","","","","has coordinates,has Fobs","271664","2022-01-01","04:16:22",""
"2108903","6.2055","0.0003","7.8091","0.0003","10.7762","0.0004","95.557","0.003","98.352","0.003","98.065","0.003","507.88","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Na O12 Rh -","- C4 H8 Na O12 Rh -","- C8 H16 Na2 O24 Rh2 -","2","1","","Garkul, Ilia; Zadesenets, Andrey; Filatov, Evgeny; Baidina, Iraida; Tkachev, Sergey; Samsonenko, Denis; Korenev, Sergey","Oxonium <i>trans</i>-bis(oxalato)rhodate and related sodium salts: a rare example of crystalline complex acid","Acta Crystallographica Section B","2021","77","6","1048","1054","10.1107/S205252062101115X","","x-ray","0.71073","MoKα","","0.0307","0.0267","","","0.057","0.0591","","","","","","1.056","","","","has coordinates,has Fobs","271664","2022-01-01","04:16:22",""
"2108904","13.8788","0.0001","11.5765","0.0001","16.4387","0.0001","90","","90.651","0.001","90","","2641","0.03","100","1","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl4 Ni O2 P2 S6 -","- C54 H52 Cl4 Ni O2 P2 S6 -","- C108 H104 Cl8 Ni2 O4 P4 S12 -","2","0.5","PX5045","Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef","Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate)","Acta Crystallographica Section B","2021","77","6","919","929","10.1107/S2052520621011495","","x-ray","0.56083","AgKα","","0.0651","0.0328","","","0.0841","0.0983","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","271665","2022-01-01","04:18:11",""
"2108905","13.3664","0.0001","14.4849","0.0001","15.9712","0.0001","90","","93.054","0.001","90","","3087.81","0.04","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cl4 Ni P S4 -","- C31 H22 Cl4 Ni P S4 -","- C124 H88 Cl16 Ni4 P4 S16 -","4","1","PX5045","Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef","Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate)","Acta Crystallographica Section B","2021","77","6","919","929","10.1107/S2052520621011495","","x-ray","0.56083","AgKα","","0.0492","0.0264","","","0.0669","0.0789","","","","","","1.026","","","","has coordinates,has Fobs","271665","2022-01-01","04:18:12",""
"2108906","13.3785","0.0001","14.4463","0.0002","15.9474","0.0002","90","","93.364","0.001","90","","3076.84","0.06","15","2","15","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cl4 Ni P S4 -","- C31 H22 Cl4 Ni P S4 -","- C124 H88 Cl16 Ni4 P4 S16 -","4","1","PX5045","Adamko Koziskova, Julia; Chen, Yu-Sheng; Grass, Su-Yin; Chuang, Yu-Chun; Hsu, I-Jui; Wang, Yu; Lutz, Martin; Volkov, Anatoliy; Herich, Peter; Vénosová, Barbora; Jelemenská, Ingrid; Bučinský, Lukáš; Breza, Martin; Kožíšek, Jozef","Electronic structure of (MePh~3~P)~2~[Ni^II^(bdtCl~2~)~2~]·2(CH~3~)~2~SO and (MePh~3~P)[Ni^III^(bdtCl~2~)~2~] (bdtCl~2~ = 3,6-dichlorobenzene-1,2-dithiolate)","Acta Crystallographica Section B","2021","77","6","919","929","10.1107/S2052520621011495","","x-ray","0.30996","synchrotron","","0.055","0.0319","","","0.0782","0.0845","","","","","","1.029","","","","has coordinates,has Fobs","271665","2022-01-01","04:18:12",""
"2108907","11.2921","0.0005","17.8132","0.0008","8.3448","0.0004","90","","110.575","0.002","90","","1571.47","0.13","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{2-[2-(methoxycarbonylmethylsulfonyl)ethoxy]ethyl}-3,5-dimethylisocyanurate","","- C12 H19 N3 O8 S -","- C12 H19 N3 O8 S -","- C48 H76 N12 O32 S4 -","4","1","PX5043","Shteingolts, Sergey A.; Voronina, Julia K.; Saifina, Liliya F.; Shulaeva, Marina M.; Semenov, Vyacheslav E.; Fayzullin, Robert R.","On the transfer of theoretical multipole parameters for restoring static electron density and revealing and treating atomic anharmonic motion. Features of chemical bonding in crystals of an isocyanuric acid derivative","Acta Crystallographica Section B","2021","77","6","871","891","10.1107/S2052520621009690","","x-ray","0.71073","MoKα","","","0.0205","","","0.0112","","","","","","","1.389","","","","has coordinates","271666","2022-01-01","04:18:49",""
"2108908","5.1374","0.0019","10.305","0.01","13.935","0.005","90","","99.71","0.03","90","","727.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","XK5086","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1198","0.0534","","","0.1139","0.1514","","","","","","1.106","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:33",""
"2108909","5.1439","0.0009","10.2415","0.0009","14.008","0.009","90","","100.11","0.04","90","","726.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0809","0.0499","","","0.0915","0.1067","","","","","","1.135","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108910","5.1216","0.0012","10.2236","0.0011","13.952","0.01","90","","99.7","0.05","90","","720.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0954","0.0623","","","0.1544","0.1841","","","","","","1.05","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108911","5.0993","0.0014","10.252","0.008","13.845","0.003","90","","99.11","0.02","90","","714.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1027","0.0503","","","0.1288","0.1647","","","","","","1.087","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108912","5.1064","0.001","10.1978","0.0009","13.867","0.008","90","","99.36","0.04","90","","712.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.071","0.0411","","","0.0927","0.1102","","","","","","1.051","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108913","5.0897","0.0019","10.213","0.011","13.789","0.005","90","","98.86","0.03","90","","708.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1206","0.0671","","","0.1789","0.2277","","","","","","1.052","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108914","5.0963","0.0011","10.1784","0.0011","13.823","0.01","90","","99.25","0.04","90","","707.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0683","0.0469","","","0.1","0.1147","","","","","","1.076","","","","has coordinates","271667","2022-01-01","04:19:34",""
"2108915","5.0956","0.001","10.1775","0.001","13.792","0.009","90","","99.13","0.04","90","","706.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0768","0.0512","","","0.1217","0.1404","","","","","","1.087","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108916","5.0851","0.0015","10.1654","0.0013","13.751","0.013","90","","98.93","0.06","90","","702.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0757","0.0486","","","0.1207","0.1413","","","","","","1.096","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108917","5.099","0.004","10.193","0.019","13.666","0.007","90","","98.65","0.06","90","","702.2","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1512","0.0661","","","0.1645","0.2292","","","","","","1.045","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108918","5.0608","0.0012","10.1526","0.001","13.677","0.01","90","","98.54","0.05","90","","694.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0839","0.0485","","","0.0921","0.1121","","","","","","1.153","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:34",""
"2108919","5.036","0.002","10.162","0.002","13.54","0.02","90","","97.94","0.09","90","","686.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0912","0.0502","","","0.1221","0.1498","","","","","","1.063","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:35",""
"2108920","5.024","0.005","10.158","0.004","13.43","0.04","90","","97.88","0.18","90","","679","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1123","0.054","","","0.1291","0.1634","","","","","","1.053","","","","has coordinates","271667","2022-01-01","04:19:35",""
"2108921","5.028","0.006","10.152","0.006","13.36","0.05","90","","97.9","0.2","90","","675","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1305","0.0589","","","0.1318","0.1732","","","","","","1.061","","","","has coordinates","271667","2022-01-01","04:19:35",""
"2108922","4.984","0.012","10.093","0.011","13.53","0.12","90","","99.3","0.4","90","","672","6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.1463","0.0659","","","0.1318","0.1738","","","","","","1.098","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:35",""
"2108923","5.0927","0.0002","10.2465","0.0003","13.6617","0.0004","88.714","0.003","98.962","0.003","92.48","0.003","703.45","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","2","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0479","0.034","","","0.0856","0.0889","","","","","","0.956","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:35",""
"2108924","5.1532","0.0002","10.2613","0.0004","14.0623","0.0007","90","","100.401","0.005","90","","731.38","0.06","300","0.1","300","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N5 O3 -","- C4 H7 N5 O3 -","- C16 H28 N20 O12 -","4","1","","Rejnhardt, Piotr; Drozd, Marek; Daszkiewicz, Marek","Low-temperature phase transition and high-pressure phase stability of 1<i>H</i>-pyrazole-1-carboxamidine nitrate","Acta Crystallographica Section B","2021","77","6","996","1002","10.1107/S2052520621010970","","x-ray","0.71073","MoKα","","0.0589","0.0402","","","0.1062","0.1198","","","","","","1.031","","","","has coordinates,has Fobs","271667","2022-01-01","04:19:35",""
"2108925","12.5085","0.0009","9.3166","0.0007","12.7894","0.001","90","","107.775","0.002","90","","1419.29","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cu8 K5.13 Na10.87 O64 S16 -","- Cu8 K5.128 Na10.872 O64 S16 -","- Cu8 K5.128 Na10.872 O64 S16 -","1","0.25","RM5054","Siidra, Oleg I.; Charkin, Dmitry O.; Kovrugin, Vadim M.; Borisov, Artem S.","K(Na,K)Na~2~[Cu~2~(SO~4~)~4~]: a new highly porous anhydrous sulfate and evaluation of possible ion migration pathways","Acta Crystallographica Section B","2021","77","6","1003","1011","10.1107/S2052520621010350","","","0.71073","MoKα","","0.046","0.0302","","","0.0696","0.0765","","","","","","1.022","","","","has coordinates,has Fobs","271668","2022-01-01","04:20:05",""
"2243692","7.3286","0.0006","11.3388","0.0007","20.304","0.001","90","","90","","90","","1687.21","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 F N2 O2 -","- C18 H19 F N2 O2 -","- C72 H76 F4 N8 O8 -","4","1","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0986","0.0444","","","0.0746","0.0875","","","","","","0.915","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:52",""
"2243693","29.769","0.001","11.3173","0.0004","20.4028","0.0008","90","","90","","90","","6873.8","0.4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(4-Chlorobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 Cl N2 O2 -","- C18 H19 Cl N2 O2 -","- C288 H304 Cl16 N32 O32 -","16","4","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.1067","0.0551","","","0.1241","0.1434","","","","","","0.946","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:53",""
"2243694","15.0779","0.0007","11.2868","0.0006","20.5297","0.0009","90","","90","","90","","3493.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-(4-Bromobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 Br N2 O2 -","- C18 H19 Br N2 O2 -","- C144 H152 Br8 N16 O16 -","8","2","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0956","0.0514","","","0.1212","0.13","","","","","","0.925","","","","has coordinates,has disorder,has Fobs","259556","2020-12-05","05:34:53",""
"2243695","10.9626","0.0005","11.3258","0.0006","14.8234","0.0007","90","","104.52","0.005","90","","1781.69","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Iodobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C72 H76 I4 N8 O8 -","4","1","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0563","0.0348","","","0.0854","0.0917","","","","","","1.054","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:53",""
"2243696","7.4528","0.0004","17.1306","0.0009","27.903","0.001","90","","90","","90","","3562.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(3-Iodobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C144 H152 I8 N16 O16 -","8","2","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0878","0.0475","","","0.1009","0.1161","","","","","","1.037","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:53",""
"2243697","7.451","0.001","11.199","0.003","19.138","0.005","90","","99.59","0.02","90","","1574.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Fluorobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 F N2 O2 -","- C18 H19 F N2 O2 -","- C72 H76 F4 N8 O8 -","4","1","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0908","0.0486","","","0.1103","0.1277","","","","","","1.021","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:53",""
"2243698","9.2572","0.0009","9.0531","0.0009","15.0557","0.0014","90","","99.329","0.001","90","","1245.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-3-phenyl-1,2-dihydroquinoxalin-2-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","PK2652","Al Ati, Gamal; Chkirate, Karim; Mashrai, Ashraf; Mague, Joel T.; Ramli, Youssef; Achour, Redouane; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT study of 1-ethyl-3-phenyl-1,2-dihydroquinoxalin-2-one","Acta Crystallographica Section E","2021","77","1","18","22","10.1107/S2056989020015819","","","0.71073","MoKα","","0.0468","0.0422","","","0.1254","0.1299","","","","","","1.085","","","","has coordinates,has Fobs","259712","2020-12-09","06:25:08",""
"2243699","10.1306","0.0005","10.7019","0.0006","15.7749","0.0007","90","","97.715","0.004","90","","1694.78","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(<i>E</i>)-4-(2,6-Dichlorobenzyl)-6-styrylpyridazin-3(2<i>H</i>)-one","4-(2,6-Dichlorobenzyl)-6-[(<i>E</i>)-2-phenylethenyl]pyridazin-3(2<i>H</i>)-one","","- C19 H14 Cl2 N2 O -","- C19 H14 Cl2 N2 O -","- C76 H56 Cl8 N8 O4 -","4","1","DX2034","Daoui, Said; Cinar, Emine Berrin; Dege, Necmi; Chelfi, Tarik; El Kalai, Fouad; Abudunia, Abdulmalik; Karrouchi, Khalid; Benchat, Noureddine","Crystal structure and Hirshfeld surface analysis of 4-(2,6-dichlorobenzyl)-6-[(<i>E</i>)-2-phenylethenyl]pyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2021","77","1","23","27","10.1107/S205698902001573X","","","0.71073","MoKα","","0.1329","0.0637","","","0.1416","0.1701","","","","","","1.014","","","","has coordinates,has Fobs","259713","2020-12-09","06:26:11",""
"2243700","6.6864","0.0007","8.1857","0.0009","12.649","0.001","79.424","0.009","85.583","0.009","75.586","0.009","658.78","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-Amino-1<i>H</i>-pyrazol-2-ium 3,5-dinitrobenzoate monohydrate","","- C10 H11 N5 O7 -","- C10 H11 N5 O7 -","- C20 H22 N10 O14 -","2","1","DX2033","Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate","Acta Crystallographica Section E","2021","77","1","34","41","10.1107/S2056989020015959","","","0.71073","MoKα","","0.0627","0.0441","","","0.1047","0.1143","","","","","","1.041","","","","has coordinates,has Fobs","259830","2020-12-12","05:50:51",""
"2243701","8.541","0.0004","14.0507","0.0007","7.5137","0.0004","90","","98.827","0.006","90","","891.02","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(3-amino-1<i>H</i>-pyrazol-2-ium) fumarate‒fumaric acid (1/1) 2C~3~H~6~N~3~^+^\χdotC~4~H~2~O~4~^2-^\χdotC~4~H~4~O~4~, (II). The reaction of 3-amino-1<i>H</i>-pyrazole with a dilute solution of nitric acid in methanol yields an second, orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate, C~3~H~6~N~3~^+^\χdotNO~3~^-^","","- C14 H18 N6 O8 -","- C14 H18 N6 O8 -","- C28 H36 N12 O16 -","2","0.5","DX2033","Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate","Acta Crystallographica Section E","2021","77","1","34","41","10.1107/S2056989020015959","","","0.71073","MoKα","","0.0509","0.0366","","","0.1036","0.1104","","","","","","1.065","","","","has coordinates,has Fobs","259830","2020-12-12","05:50:52",""
"2243702","7.27","0.001","9.907","0.002","8.551","0.002","90","","90","","90","","615.9","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3-Amino-1<i>H</i>-pyrazol-2-ium nitrate","","- C3 H6 N4 O3 -","- C3 H6 N4 O3 -","- C12 H24 N16 O12 -","4","1","DX2033","Archana, Sreeramapura D.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Two 3-amino-1<i>H</i>-pyrazol-2-ium salts containing organic anions, and an orthorhombic polymorph of 3-amino-1<i>H</i>-pyrazol-2-ium nitrate","Acta Crystallographica Section E","2021","77","1","34","41","10.1107/S2056989020015959","","","0.71073","MoKα","","0.0449","0.0359","","","0.0863","0.0921","","","","","","1.111","","","","has coordinates,has Fobs","259830","2020-12-12","05:50:52",""
"2243703","6.0686","0.0005","19.2791","0.0015","16.3795","0.0013","90","","94.185","0.004","90","","1911.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate","","- C20 H21 N3 O7 -","- C20 H21 N3 O7 -","- C80 H84 N12 O28 -","4","1","WM5588","Bouzian, Younos; Baydere, Cemile; Dege, Necmi; Ahabchane, Noureddine Hamou; Mague, Joel T.; Abudunia, Abdulmalik; Karrouchi, Khalid; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate","Acta Crystallographica Section E","2021","77","1","28","33","10.1107/S2056989020015960","","","1.54178","CuKα","","0.0486","0.0377","","","0.0864","0.0937","","","","","","1.045","","","","has coordinates,has Fobs","259831","2020-12-12","05:51:27",""
"2243704","12.7166","0.0002","14.4366","0.0002","16.4038","0.0003","105.024","0.001","105.935","0.001","102.999","0.001","2650.82","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis{[4-(phenylethynyl)pyridine-κ<i>N</i>]copper(II)} dichloromethane monosolvate","","- C53 H38 Cl8 Cu4 N4 O -","- C53 H38 Cl8 Cu4 N4 O -","- C106 H76 Cl16 Cu8 N8 O2 -","2","1","MW2170","Al Balushi, Rayya A.; Khan, Muhammad S.; Faizi, Md. Serajul Haque; Haque, Ashanul; Molloy, Kieran; Raithby, Paul R.","Synthesis and structural characterization of hexa-μ~2~-chlorido-μ~4~-oxido-tetrakis{[4-(phenylethynyl)pyridine-κ<i>N</i>]copper(II)} dichloromethane monosolvate","Acta Crystallographica Section E","2021","77","1","42","46","10.1107/S2056989020015935","","","0.71073","MoKα","","0.0841","0.0488","","","0.1123","0.1267","","","","","","1.023","","","","has coordinates,has Fobs","259832","2020-12-12","05:52:03",""
"2243705","8.284","0.002","8.006","0.002","31.637","0.006","90","","90","","90","","2098.2","0.8","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-Formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","2","WM5590","Tojiboev, Akmal; Zhurakulov, Sherzod; Vinogradova, Valentina; Englert, Ulli; Wang, Ruimin","Crystal structure, Hirshfeld surface analysis and energy framework study of 6-formyl-7,8,9,11-tetrahydro-5<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-11-one","Acta Crystallographica Section E","2021","77","1","47","51","10.1107/S2056989020016059","","","1.54186","CuKα","","0.0378","0.036","","","0.1006","0.1033","","","","","","1.029","","","","has coordinates,has Fobs","259833","2020-12-12","05:52:28",""
"2243706","13.8153","0.0005","15.5676","0.0008","18.9683","0.0005","90","","108.733","0.002","90","","3863.4","0.3","188","2","188","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido[8-(diphenylphosphanyl)-2-methylquinoline-κ^2^<i>N</i>,<i>P</i>]palladium(II)","","- C22 H18 Cl2 N P Pd -","- C22 H18 Cl2 N P Pd -","- C176 H144 Cl16 N8 P8 Pd8 -","8","1","WM5591","Mori, Masatoshi; Namioka, Atsushi; Suzuki, Takayoshi","Crystal and molecular structures of dichloridopalladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphanyl)quinoline","Acta Crystallographica Section E","2021","77","1","52","57","10.1107/S2056989020016096","","","0.71075","MoKα","","0.0287","0.0245","","","0.0611","0.0631","","","","","","1.049","","","","has coordinates,has Fobs","259927","2020-12-16","05:55:04",""
"2243707","9.6582","0.0013","9.8765","0.0014","13.0748","0.0014","102.011","0.004","90.426","0.004","109.827","0.004","1143.4","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido[8-(diphenylphosphanyl)-2-phenylquinoline-κ^2^<i>N</i.,<i>P</i>]palladium(II)","","- C27 H20 Cl2 N P Pd -","- C27 H20 Cl2 N P Pd -","- C54 H40 Cl4 N2 P2 Pd2 -","2","1","","Mori, Masatoshi; Namioka, Atsushi; Suzuki, Takayoshi","Crystal and molecular structures of dichloridopalladium(II) containing 2-methyl- or 2-phenyl-8-(diphenyphosphanyl)quinoline","Acta Crystallographica Section E","2021","77","1","52","57","10.1107/S2056989020016096","","","0.71075","MoKα","","0.0283","0.0247","","","0.0624","0.0637","","","","","","1.059","","","","has coordinates,has Fobs","259927","2020-12-16","05:55:05",""
"2243708","6.088","0.004","7.377","0.005","13.721","0.009","77.34","0.006","89.561","0.007","82.712","0.007","596.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Hexaquaaluminium sulfate nitrate dihydrate","","- Al H16 N O15 S -","- Al H16 N O15 S -","- Al2 H32 N2 O30 S2 -","2","1","WM5585","Svensson, Fredric G.","Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O","Acta Crystallographica Section E","2021","77","1","58","61","10.1107/S2056989020015741","","","0.71073","MoKα","","0.0363","0.0338","","","0.0877","0.0903","","","","","","1.103","","","","has coordinates","259928","2020-12-16","05:55:52",""
"2243709","6.164","0.0014","22.933","0.005","7.2876","0.0014","90","","97.328","0.002","90","","1021.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Hexaquaaluminium sulfate chloride monohydrate","","- Al Cl H14 O11 S -","- Al Cl H14 O11 S -","- Al4 Cl4 H56 O44 S4 -","4","1","WM5585","Svensson, Fredric G.","Synthesis and crystal structures of [Al(H~2~O)~6~](SO~4~)NO~3~·2H~2~O and [Al(H~2~O)~6~](SO~4~)Cl·H~2~O","Acta Crystallographica Section E","2021","77","1","58","61","10.1107/S2056989020015741","","","0.71073","MoKα","","0.0278","0.0241","","","0.0619","0.0642","","","","","","1.034","","","","has coordinates","259928","2020-12-16","05:55:52",""
"2243710","24.3559","0.0002","10.7032","0.0002","8.9667","0.0002","90","","93.22","0.002","90","","2333.8","0.07","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2-Hydroxy-2-phenylacetophenone oxime","2-(<i>N</i>-Hydroxyimino)-1,2-diphenylethanol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","PK2654","Akduran, Nurcan","Crystal structure of 2-hydroxy-2-phenylacetophenone oxime","Acta Crystallographica Section E","2021","77","1","66","69","10.1107/S2056989020016163","","","0.71073","MoKα","","0.0823","0.0482","","","0.1087","0.1236","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","260016","2020-12-19","06:43:59",""
"2243711","17.8228","0.0019","7.4879","0.0008","9.7686","0.001","90","","90","","90","","1303.7","0.2","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","Dipotassium trimagnesium dihydroxide tris(sulfate) dihydrate","","- H6 K2 Mg3 O16 S3 -","- H6 K2 Mg3 O16 S3 -","- H24 K8 Mg12 O64 S12 -","4","0.5","HB7955","Weil, Matthias","Redetermination of K~2~Mg~3~(OH)~2~(SO~4~)~3~(H~2~O)~2~ from single-crystal X-ray data revealing the correct hydrogen-atom positions","Acta Crystallographica Section E","2021","77","1","62","65","10.1107/S2056989020016217","","","0.71073","MoKα","","0.0184","0.0165","","","0.0387","0.0393","","","","","","1.072","","","","has coordinates,has Fobs","260017","2020-12-19","06:44:22",""
"2243712","8.6686","0.0013","10.519","0.0015","18.998","0.003","75.488","0.009","76.847","0.007","80.905","0.006","1623.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[tetrakis(1-methylpyrrolidin-2-one-κ<i>O</i>)calcium(II)]-μ-(<i>E</i>)-1,1'-dimethyl-2,2'-dioxo-1,1',2,2'-tetrahydro-[3,3'-bipyrrolylidene]-5,5'-bis(thiolato)-κ^2^<i>O</i>:<i>O</i>']","","- C30 H44 Ca N6 O6 S2 -","- C30 H44 Ca N6 O6 S2 -","- C60 H88 Ca2 N12 O12 S4 -","2","1","PK2649","Butcher, Ray J.; Purdy, Andrew P.; Brown, Paul A.; Gunlycke, Daniel","Synthesis, structure, and theoretical studies of a calcium complex of a unique dianion derived from 1-methylpyrrolidin-2-one","Acta Crystallographica Section E","2021","77","1","70","74","10.1107/S205698902001628X","","","0.71073","MoKα","","0.1812","0.111","","","0.2506","0.3009","","","","","","1.063","","","","has coordinates,has Fobs","260116","2020-12-23","06:15:02",""
"2243713","18.9581","0.0014","6.6461","0.0004","22.4043","0.0016","90","","94.163","0.007","90","","2815.4","0.3","150","0.1","150","0.1","","","","","","","","3","I 1 2 1","I 2y","5","Lawinal","(2<i>S</i>)-5,7-Dihydroxy-6-methyl-4-oxo-2-phenylchromane-8-carbaldehyde","","- C17 H14 O5 -","- C17 H14 O5 -","- C136 H112 O40 -","8","2","ZV2003","Suthiphasilp, Virayu; Meesakul, Pornphimol; Richardson, Christopher; Pyne, Stephen G.; Laphookhieo, Surat","Isolation and crystal structure of lawinal","Acta Crystallographica Section E","2021","77","1","75","78","10.1107/S2056989020016540","","x-ray","0.71073","MoKα","","0.0654","0.0526","","","0.1346","0.1435","","","","","","1.017","","","","has coordinates,has Fobs","260148","2020-12-25","05:25:18",""
"2243714","7.8576","0.001","12.3468","0.0015","14.1147","0.0017","94.295","0.001","104.603","0.001","101.042","0.001","1289.6","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,2'-{[(2-Nitrobenzyl)azanediyl}bis(propane-3,1-diyl)}bis[1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione]","","- C29 H26 N4 O6 -","- C29 H26 N4 O6 -","- C58 H52 N8 O12 -","2","1","ZN2003","Holmberg, Ryne; Franz, Vanessa; Moser, Kristen M.; Solano, Ricardo; Moore, Curtis; Rheingold, Arnold L.; Smith, Gary L. N.","Crystal structure of 2,2'-{[(2-nitrobenzyl)azanediyl]bis(propane-3,1-diyl)}bis[1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione]","Acta Crystallographica Section E","2021","77","2","83","85","10.1107/S2056989020016771","","","0.71073","MoKα","","0.0843","0.0604","","","0.1118","0.1241","","","","","","1.052","","","","has coordinates","260882","2021-01-09","06:04:27",""
"2243715","11.7934","0.0004","9.4895","0.0003","8.617","0.0003","90","","106.455","0.002","90","","924.86","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[dichloridotin(II)]-μ~2~-(4-methylpyridine <i>N</i>-oxide)-κ^2^<i>O</i>:<i>O</i>]","","- C6 H7 Cl2 N O Sn -","- C6 H7 Cl2 N O Sn -","- C24 H28 Cl8 N4 O4 Sn4 -","4","1","WM5593","Henkel, Felix; Reuter, Hans","Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide","Acta Crystallographica Section E","2021","77","2","91","95","10.1107/S2056989021000025","","","0.71073","MoKα","","0.0136","0.0126","","","0.0311","0.0315","","","","","","1.123","","","","has coordinates,has Fobs","260883","2021-01-09","06:05:04",""
"2243716","19.9848","0.0008","10.3723","0.0003","14.4644","0.0005","90","","90","","90","","2998.3","0.18","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloridobis(4-methylpyridine <i>N</i>-oxide-κ<i>O</i>)tin(II)","","- C12 H14 Cl2 N2 O2 Sn -","- C12 H14 Cl2 N2 O2 Sn -","- C96 H112 Cl16 N16 O16 Sn8 -","8","1","","Henkel, Felix; Reuter, Hans","Two coordination compounds of SnCl~2~ with 4-methylpyridine <i>N</i>-oxide","Acta Crystallographica Section E","2021","77","2","91","95","10.1107/S2056989021000025","","","0.71073","MoKα","","0.0335","0.0253","","","0.0586","0.0637","","","","","","1.1","","","","has coordinates,has Fobs","260883","2021-01-09","06:05:04",""
"2243717","13.5479","0.0005","5.0242","0.0002","17.3881","0.0007","90","","101.382","0.002","90","","1160.29","0.08","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Pyridin-2-yl)-1<i>H</i>-perimidine","","- C16 H11 N3 -","- C16 H11 N3 -","- C64 H44 N12 -","4","1","WM5594","Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.","Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues","Acta Crystallographica Section E","2021","77","2","96","100","10.1107/S205698902100013X","","x-ray","0.71073","MoKα","","0.0669","0.0568","","","0.1348","0.1402","","","","","","1.052","","","","has coordinates,has Fobs","260884","2021-01-09","06:05:56",""
"2243718","7.5095","0.0002","12.1216","0.0003","13.5616","0.0004","90","","92.547","0.001","90","","1233.25","0.06","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methyl-2-(pyridin-2-yl)-1<i>H</i>-perimidine","","- C17 H13 N3 -","- C17 H13 N3 -","- C68 H52 N12 -","4","1","","Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.","Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues","Acta Crystallographica Section E","2021","77","2","96","100","10.1107/S205698902100013X","","x-ray","0.71073","MoKα","","0.0699","0.0601","","","0.1404","0.146","","","","","","1.039","","","","has coordinates,has Fobs","260884","2021-01-09","06:05:57",""
"2243719","9.8821","0.0002","9.7125","0.0002","17.9839","0.0004","90","","103.676","0.001","90","","1677.16","0.06","230","","230","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Dimethyl-2-(pyridin-2-yl)-1<i>H</i>-perimidinium iodide","","- C18 H16 I N3 -","- C18 H16 I N3 -","- C72 H64 I4 N12 -","4","1","","Kalle, Paulina; Tatarin, Sergei V.; Zakharov, Alexander Yu.; Kiseleva, Marina A.; Bezzubov, Stanislav I.","Synthesis and comparative structural study of 2-(pyridin-2-yl)-1<i>H</i>-perimidine and its mono- and di-<i>N</i>-methylated analogues","Acta Crystallographica Section E","2021","77","2","96","100","10.1107/S205698902100013X","","x-ray","0.71073","MoKα","","0.0325","0.0278","","","0.0643","0.0666","","","","","","1.055","","","","has coordinates,has Fobs","260884","2021-01-09","06:05:57",""
"2243720","8.81","0.0018","9.9182","0.0016","11.165","0.002","81.205","0.007","70.657","0.006","72.642","0.004","877","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (4<i>R</i>,4a<i>S</i>)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylate","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C40 H38 N2 O10 -","2","1","WM5592","Zaytsev, Vladimir P.; Chervyakova, Lala V.; Sorokina, Elena A.; Vasilyev, Kirill A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of ethyl (4<i>R</i>,4a<i>S</i>)-2-methyl-5,8-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylate","Acta Crystallographica Section E","2021","77","2","86","90","10.1107/S2056989020016801","","","0.71073","MoKα","","0.0491","0.0435","","","0.1187","0.125","","","","","","1.04","","","","has coordinates,has Fobs","260885","2021-01-09","06:06:28",""
"2243721","7.9555","0.0004","13.3696","0.0007","9.9708","0.0005","90","","112.874","0.002","90","","977.12","0.09","200","2","200.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","[2-(4-Acetyloxy-1<i>H</i>-indol-3-yl)ethyl](methyl)ethylazanium 3-carboxyprop-2-enoate","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C38 H48 N4 O12 -","2","1","HB7959","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug","Acta Crystallographica Section E","2021","77","2","101","106","10.1107/S2056989021000116","","","0.71073","MoKα","","0.0586","0.0523","","","0.1386","0.1461","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","260886","2021-01-09","06:07:15",""
"2243722","7.9702","0.0004","14.1788","0.0007","9.8035","0.0005","90","","113.394","0.002","90","","1016.8","0.09","297","2","297.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","[2-(4-Acetyloxy-1<i>H</i>-indol-3-yl)ethyl](methyl)prop-2-enylazanium 3-carboxyprop-2-enoate","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C40 H48 N4 O12 -","2","1","HB7959","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug","Acta Crystallographica Section E","2021","77","2","101","106","10.1107/S2056989021000116","","","0.71073","MoKα","","0.0468","0.0425","","","0.1084","0.1134","","","","","","1.043","","","","has coordinates,has Fobs","260886","2021-01-09","06:07:16",""
"2243723","23.6642","0.0019","8.4204","0.0007","23.4002","0.0018","90","","111.614","0.002","90","","4334.9","0.6","297","2","297.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis{[2-(4-acetyloxy-1<i>H</i>-indol-3-yl)ethyl]diprop-2-enylazanium} but-2-enedioate‒(<i>E</i>)-butenedioic acid (1/1)","","- C44 H52 N4 O12 -","- C44 H52 N4 O12 -","- C176 H208 N16 O48 -","4","0.5","HB7959","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Psilacetin derivatives: fumarate salts of the methyl‒ethyl, methyl‒allyl and diallyl variants of the psilocin prodrug","Acta Crystallographica Section E","2021","77","2","101","106","10.1107/S2056989021000116","","","0.71073","MoKα","","0.0613","0.0509","","","0.1297","0.1396","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","260886","2021-01-09","06:07:16",""
"2243724","20.2495","0.0009","6.8046","0.0005","13.4969","0.0005","90","","90","","90","","1859.73","0.17","109.7","0.5","109.7","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","Bis(difluoroboron)bis(pyrrol-2-yl)methylenediaminophenylene","(μ-<i>N</i>-[(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]<i>N</i>-{{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]","","- C20 H20 B2 F4 N4 -","- C20 H20 B2 F4 N4 -","- C80 H80 B8 F16 N16 -","4","0.5","EX2040","Liu, Xiaoxue; Li, Tuo; Yin, Zhenming","Crystal structure and fluorescence study of (μ-<i>N</i>-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]-<i>N</i>-{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]","Acta Crystallographica Section E","2021","77","2","126","129","10.1107/S2056989021000463","","x-ray","1.54184","CuKα","","0.0665","0.0476","","","0.1163","0.1259","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","260999","2021-01-16","05:41:34",""
"2243725","12.0487","0.0004","13.9821","0.0005","15.0239","0.0005","90","","106.606","0.001","90","","2425.46","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(7-Acetyl-4-cyano-6-hydroxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-<i>N</i>-phenylacetamide","","- C28 H27 N3 O3 S -","- C28 H27 N3 O3 S -","- C112 H108 N12 O12 S4 -","4","1","VM2243","Al-Taifi, Elham A.; Maraei, Islam S.; Bakhite, Etify A.; Demirtas, Güneş; Mague, Joel. T.; Mohamed, Shaaban K.; Ramli, Youssef","Crystallographic and spectroscopic characterization of 2-[(7-acetyl-4-cyano-6-hydroxy-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2021","77","2","121","125","10.1107/S2056989021000372","","","1.54178","CuKα","","0.0354","0.0315","","","0.0792","0.0825","","","","","","1.057","","","","has coordinates,has Fobs","261000","2021-01-16","05:42:00",""
"2243726","27.7311","0.0018","7.1747","0.0009","11.7849","0.0014","90","","94.101","0.004","90","","2338.7","0.4","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1,3-Dimethyl-2-[3-(4-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1<i>H</i>-imidazole","","- C11 H12 N6 O2 -","- C11 H12 N6 O2 -","- C88 H96 N48 O16 -","8","1","JY2004","Heras Martinez, Hector Mario; Chavez Flores, David; Hillesheim, Patrick C.; Patil, Siddappa; Bugarin, Alejandro","Crystal structure and spectroscopic properties of (<i>E</i>)-1,3-dimethyl-2-[3-(4-nitrophenyl)triaz-2-enylidene]-2,3-dihydro-1<i>H</i>-imidazole","Acta Crystallographica Section E","2021","77","2","130","133","10.1107/S2056989021000426","","","0.71073","MoKα","","0.0916","0.0701","","","0.1486","0.1582","","","","","","1.16","","","","has coordinates,has Fobs","261001","2021-01-16","05:42:26",""
"2243727","4.7297","0.001","7.8993","0.0016","13.044","0.003","91.57","0.03","96.51","0.03","104.79","0.03","467.35","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid","","- C8 H3 Cl F3 N O4 -","- C8 H3 Cl F3 N O4 -","- C16 H6 Cl2 F6 N2 O8 -","2","1","TX2035","Richter, Adrian; Goddard, Richard; Schlegel, Tom; Imming, Peter; Seidel, Rüdiger W.","2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid and -benzamide: structural characterization of two precursors for antitubercular benzothiazinones","Acta Crystallographica Section E","2021","77","2","142","147","10.1107/S2056989021000517","","","0.6199","synchrotron","","0.0304","0.03","","","0.0811","0.0815","","","","","","1.053","","","","has coordinates,has Fobs","261083","2021-01-20","06:22:22",""
"2243728","8.3012","0.0012","28.23","0.004","9.1522","0.0014","90","","110.424","0.003","90","","2009.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-3-nitro-5-(trifluoromethyl)benzamide","","- C8 H4 Cl F3 N2 O3 -","- C8 H4 Cl F3 N2 O3 -","- C64 H32 Cl8 F24 N16 O24 -","8","2","TX2035","Richter, Adrian; Goddard, Richard; Schlegel, Tom; Imming, Peter; Seidel, Rüdiger W.","2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid and -benzamide: structural characterization of two precursors for antitubercular benzothiazinones","Acta Crystallographica Section E","2021","77","2","142","147","10.1107/S2056989021000517","","","0.71073","MoKα","","0.0971","0.0559","","","0.1188","0.1357","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","261083","2021-01-20","06:22:23",""
"2243729","8.5404","0.0008","9.0144","0.0009","21.6217","0.0019","92.922","0.008","98.873","0.007","113.038","0.009","1502.1","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Sodium 2-[1-methyl-5-(4-methylbenzoyl)-1<i>H</i>-pyrrol-2-yl]acetate dihydrate","","- C30 H36 N2 Na2 O10 -","- C30 H36 N2 Na2 O10 -","- C60 H72 N4 Na4 O20 -","2","1","ZQ2259","Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitry V.; Chuev, Vladimir P.","Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium","Acta Crystallographica Section E","2021","77","2","134","137","10.1107/S2056989021000414","","x-ray","0.71073","MoKα","","0.0984","0.0638","","","0.161","0.191","","","","","","1.003","","","","has coordinates,has Fobs","261084","2021-01-20","06:22:57",""
"2243730","7.1335","0.0004","11.7297","0.0006","15.4593","0.0007","90","","90","","90","","1293.54","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H9 N3 O4 S -","- C12 H9 N3 O4 S -","- C48 H36 N12 O16 S4 -","4","1","YK2142","Kansiz, Sevgi; Dege, Necmi; Ozturk, Seyhan; Akdemir, Nesuhi; Tarcan, Erdoğan; Arslanhan, Ali; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2021","77","2","138","141","10.1107/S2056989021000529","","","0.71073","MoKα","","0.1048","0.0528","","","0.1115","0.129","","","","","","0.905","","","","has coordinates,has Fobs","261085","2021-01-20","06:23:20",""
"2243731","12.6654","0.0001","17.6394","0.00018","10.888","0.00011","90","","90","","90","","2432.49","0.04","108","2","108","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","Bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II)","","- C26 H22 Cd N8 O4 -","- C26 H22 Cd N8 O4 -","- C104 H88 Cd4 N32 O16 -","4","0.5","ZL5004","Yang, Ping; Xie, Xiao-Bao; Shi, Qing-Shan","Crystal structure of bis{2-hydroxy-<i>N</i>'-[1-(pyrazin-2-yl)ethylidene]benzohydrazidato}cadmium(II)","Acta Crystallographica Section E","2021","77","2","153","157","10.1107/S2056989021000657","","","1.54178","CuKα","","0.0258","0.0257","","","0.0748","0.0749","","","","","","1.201","","","","has coordinates,has Fobs","261170","2021-01-23","06:14:11",""
"2243732","16.991","0.0012","15.5187","0.0011","13.8864","0.0009","90","","126.189","0.001","90","","2955.1","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","[3,10-Bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) bis(perchlorate)","","- C24 H36 Cl2 F2 N6 Ni O8 -","- C24 H36 Cl2 F2 N6 Ni O8 -","- C96 H144 Cl8 F8 N24 Ni4 O32 -","4","0.5","VM2242","Kwak, Chee-Hun; Chang, Mee","Crystal structure of [3,10-bis(4-fluorophenethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]nickel(II) diperchlorate","Acta Crystallographica Section E","2021","77","2","148","152","10.1107/S2056989020016795","","","0.71073","MoKα","","0.0861","0.068","","","0.1492","0.1587","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","261171","2021-01-23","06:14:38",""
"2243733","30.1386","0.0006","11.2948","0.0001","16.4726","0.0003","90","","139.457","0.004","90","","3644.9","0.3","200","0.1","200","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,1-Dibutyl-1<i>H</i>,3<i>H</i>-naphtho[1,8-<i>cd</i>][1,2,6]oxastannaborinin-3-ol","","- C18 H25 B O2 Sn -","- C18 H25 B O2 Sn -","- C144 H200 B8 O16 Sn8 -","8","1","ZQ2260","Breitwieser, Kevin; Chen, Peter","Crystal structure of a 1,1-dibutyl-1<i>H</i>,3<i>H</i>-naphtho[1,8-<i>cd</i>][1,2,6]oxastannaborinin-3-ol","Acta Crystallographica Section E","2021","77","2","180","183","10.1107/S2056989021000712","","","1.54184","CuKα","","0.0247","0.0237","","","0.0651","0.0659","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","261260","2021-01-27","06:18:50",""
"2243734","9.616","0.0004","15.8209","0.0007","19.0324","0.0009","71.2052","0.0008","85.1144","0.0008","87.9801","0.0009","2731","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","RuPhos","2-Dicyclohexylphosphanyl-2',6'-bis(propan-2-yloxy)biphenyl","","- C30 H43 O2 P -","- C30 H43 O2 P -","- C120 H172 O8 P4 -","4","2","MW2173","Carsch, Kurtis M.; Ho, William; Lui, Kai Hin; Valtierra, Gregory; Dogutan, Dilek K.; Nocera, Daniel G.; Zheng, Shao-Liang","Crystal structure of the RuPhos ligand","Acta Crystallographica Section E","2021","77","2","171","174","10.1107/S2056989021000542","","","0.71073","MoKα","","0.0559","0.042","","","0.1078","0.1164","","","","","","1.051","","","","has coordinates,has Fobs","261261","2021-01-27","06:23:32",""
"2243735","10.14886","0.00018","11.1827","0.0002","11.6411","0.0002","66.724","0.001","77.693","0.001","63.613","0.001","1086.06","0.04","193","2","193.15","","","","","","","","","4","P -1","-P 1","2","","1,2-Bis(4-fluorophenyl)-1-hydroxy-2,3,8-trimethoxyacenaphthene","","- C27 H22 F2 O4 -","- C27 H22 F2 O4 -","- C54 H44 F4 O8 -","2","1","VM2244","Iitsuka, Hiroaki; Li, Kun; Kobayashi, Miyuki; Iida, Kikuko; Yonezawa, Noriyuki; Okamoto, Akiko","Crystal structure of 1,2-bis(4-fluorophenyl)-1-hydroxy-2,3,8-trimethoxyacenaphthene: formation of a five-membered intramolecular O—H···O hydrogen-bonded ring","Acta Crystallographica Section E","2021","77","2","175","179","10.1107/S2056989021000669","","","1.54187","CuKα","","0.0444","0.0433","","","0.1141","0.1152","","","","","","1.056","","","","has coordinates,has Fobs","261262","2021-01-27","06:24:06",""
"2243736","20.3693","0.0009","10.0956","0.0004","39.1991","0.0016","90","","98.443","0.004","90","","7973.6","0.6","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-<i>N</i>-(4-Methoxyphenyl)-2[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide","","- C24 H21 N O4 -","- C24 H21 N O4 -","- C384 H336 N16 O64 -","16","4","EY2003","Nguyen Tien, Cong; Vu Quoc, Trung; Nguyen Dang, Dat; Le Duc, Giang; Van Meervelt, Luc","Synthesis and structure of (<i>E</i>)-<i>N</i>-(4-methoxyphenyl)-2-[4-(3-oxo-3-phenylprop-1-en-1-yl)phenoxy]acetamide","Acta Crystallographica Section E","2021","77","2","184","189","10.1107/S2056989021000864","","x-ray","0.71073","MoKα","","0.0586","0.0451","","","0.1171","0.1271","","","","","","1.007","","","","has coordinates,has Fobs","261318","2021-01-30","06:09:21",""
"2243737","7.7368","0.0003","12.1233","0.0005","17.5528","0.0008","90","","102.154","0.001","90","","1609.47","0.12","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(5-methoxy-2,<i>N</i>,<i>N</i>-trimethyltryptammonium) fumarate","Bis{[2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)ethyl]dimethylazanium} 2<i>E</i>)-but-2-enedioate","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","YZ2004","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads","Acta Crystallographica Section E","2021","77","2","190","194","10.1107/S2056989021000803","","","0.71073","MoKα","","0.0687","0.0566","","","0.1449","0.1566","","","","","","1.03","","","","has coordinates,has Fobs","261319","2021-01-30","06:10:10",""
"2243738","7.5067","0.0008","22.657","0.003","10.0894","0.0011","90","","97.225","0.004","90","","1702.4","0.3","297","2","297.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-Methoxy-2,<i>N</i>,<i>N</i>,<i>N</i>-tetramethyltryptammonium iodide","[2-(5-Methoxy-2-methyl-1<i>H</i>-indol-3-yl)ethyl]trimethylazanium iodide","","- C15 H23 I N2 O -","- C15 H23 I N2 O -","- C60 H92 I4 N8 O4 -","4","1","","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads","Acta Crystallographica Section E","2021","77","2","190","194","10.1107/S2056989021000803","","","0.71073","MoKα","","0.0329","0.0278","","","0.0579","0.0608","","","","","","1.167","","","","has coordinates,has Fobs","261319","2021-01-30","06:10:10",""
"2243739","10.9091","0.001","14.091","0.0011","11.4029","0.001","90","","100.338","0.003","90","","1724.4","0.3","297","2","297.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Methoxy-2,<i>N</i>,<i>N</i>,<i>N</i>-tetramethyltryptammonium iodide monohydrate","[2-(5-Methoxy-2-methyl-1<i>H</i>-indol-3-yl)ethyl]trimethylazanium iodide monohydrate","","- C15 H25 I N2 O2 -","- C15 H25 I N2 O2 -","- C60 H100 I4 N8 O8 -","4","1","","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","2,5-Dimethylbufotenine and 2,5-dimethylbufotenidine: novel derivatives of natural tryptamines found in <i>Bufo alvarius</i> toads","Acta Crystallographica Section E","2021","77","2","190","194","10.1107/S2056989021000803","","","0.71073","MoKα","","0.0243","0.0209","","","0.0509","0.0539","","","","","","1.1","","","","has coordinates,has Fobs","261319","2021-01-30","06:10:10",""
"2243740","10.7038","0.0003","11.6096","0.0004","17.5182","0.0005","90","","90","","90","","2176.93","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile","","- C28 H21 N3 O -","- C28 H21 N3 O -","- C112 H84 N12 O4 -","4","1","VM2245","Naghiyev, Farid N.; Grishina, Maria M.; Khrustalev, Victor N.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile","Acta Crystallographica Section E","2021","77","2","195","199","10.1107/S2056989021000785","","","0.71073","MoKα","","0.1072","0.0539","","","0.1007","0.1234","","","","","","1.011","","","","has coordinates,has Fobs","261320","2021-01-30","06:10:44",""
"2243741","8.4791","0.0008","10.4091","0.001","13.6862","0.0014","90.138","0.008","94.833","0.008","113.745","0.007","1100.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","4-(2-Oxo-1,2,3,4-tetrahydroquinolin-8-yl)-1-[(6-phenylpyridin-3-yl)methyl]piperazin-1-ium chloride","","- C25 H27 Cl N4 O -","- C25 H27 Cl N4 O -","- C50 H54 Cl2 N8 O2 -","2","1","","Ullah, Nisar; Stoeckli-Evans, Helen","Crystal structure and Hirshfeld surface analysis of the hydrochloride salt of 8-{4-[(6-phenylpyridin-3-yl)methyl]piperazin-1-yl}-3,4-dihydroquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2021","77","2","208","212","10.1107/S2056989021000979","","","0.71073","MoKα","","0.0513","0.0327","","","0.0683","0.0708","","","","","","0.833","","","","has coordinates,has Fobs","261321","2021-01-30","06:11:07",""
"2243742","7.655","0.0015","23.533","0.005","8.313","0.0017","90","","102.45","0.03","90","","1462.3","0.5","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,14-Diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate","","- C22 H56 Cl4 N4 O4 -","- C22 H56 Cl4 N4 O4 -","- C44 H112 Cl8 N8 O8 -","2","0.5","WM5597","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of 3,14-diethyl-2,6,13,17-tetraazoniatricyclo[16.4.0.0^7,12^]docosane tetrachloride tetrahydrate from synchrotron X-ray data","Acta Crystallographica Section E","2021","77","2","213","216","10.1107/S2056989021001006","","","0.61","synchrotron","","0.0396","0.0354","","","0.1026","0.1045","","","","","","1.088","","","","has coordinates,has Fobs","261322","2021-01-30","06:11:32",""
"2243743","33.888","0.004","14.9497","0.0018","8.2021","0.001","90","","94.447","0.004","90","","4142.8","0.9","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-{[(<i>E</i>)-(7-Methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C160 H152 N24 O32 -","8","1","HB7958","Arderne, Charmaine; Fotsing, Marthe Carine Djuide; Ndinteh, Derek Tantoh","Synthesis and structure of 4-{[(<i>E</i>)-(7-methoxy-1,3-benzodioxol-5-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-3-one","Acta Crystallographica Section E","2021","77","2","200","203","10.1107/S2056989021000797","","","0.71073","MoKα","","0.1126","0.0629","","","0.1462","0.1607","","","","","","1.05","","","","has coordinates,has Fobs","261323","2021-01-30","06:11:55",""
"2243744","4.9472","0.0005","9.9021","0.001","7.1002","0.0007","90","","91.464","0.003","90","","347.71","0.06","120","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","","1,3-Dithiane 1,1,3,3-tetraoxide","","- C4 H8 O4 S2 -","- C4 H8 O4 S2 -","- C8 H16 O8 S4 -","2","1","EY2004","Harlow, Richard L.; Oliver, Allen G.; Sammes, Michael P.","C—H···O contacts in the crystal structure of 1,3-dithiane 1,1,3,3-tetraoxide","Acta Crystallographica Section E","2021","77","2","204","207","10.1107/S2056989021000876","","","0.71073","MoKα","","0.0278","0.0265","","","0.0544","0.0549","","","","","","1.154","","","","has coordinates,has Fobs","261324","2021-01-30","06:12:18",""
"2243745","10.05103","0.00009","10.62943","0.00011","15.64759","0.00016","90","","90","","90","","1671.74","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-3,7,9,9-Tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine","","- C20 H27 N -","- C20 H27 N -","- C80 H108 N4 -","4","1","HB7966","Acelas, Mauricio; Dugarte-Dugarte, Analio; Romero Bohórquez, Arnold R.; Henao, José Antonio; Delgado, José Miguel; Díaz de Delgado, Graciela","Synthesis, crystal structure, Hirshfeld surface analysis and energy framework calculations of <i>trans</i>-3,7,9,9-tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine","Acta Crystallographica Section E","2021","77","3","226","232","10.1107/S2056989021001183","","x-ray","1.54184","CuKα","","0.0395","0.0391","","","0.1063","0.1065","","","","","","1.108","","","","has coordinates,has Fobs","261820","2021-02-06","07:14:34",""
"2243746","13.8395","0.0009","20.0443","0.0019","9.6347","0.0009","90","","102.8","0.003","90","","2606.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Di-<i>tert</i>-butyl <i>N</i>,<i>N</i>'-{[13,15,28,30,31,33-hexaethyl-3,10,18,25,32,34-hexaazapentacyclo[25.3.1.1^5,8^.1^12,16^.1^20,23^]tetratriaconta-1(31),3,5,7,9,12(33),13,15,18,20,22,24,27,29-tetradecaene-14,29-diyl]bis(methylene)}dicarbamate methanol disolvate","","- C54 H80 N8 O6 -","- C54 H80 N8 O6 -","- C108 H160 N16 O12 -","2","0.5","ZQ2258","Amrhein, Felix; Schwarzer, Anke; Mazik, Monika","Crystal structure of a methanol solvate of a macrocycle bearing two flexible side-arms","Acta Crystallographica Section E","2021","77","3","233","236","10.1107/S2056989021001067","","","0.71073","MoKα","","0.0503","0.0384","","","0.0951","0.103","","","","","","1.019","","","","has coordinates,has Fobs","261821","2021-02-06","07:14:58",""
"2243747","6.8064","0.0002","9.5045","0.0002","11.9482","0.0003","79.551","0.001","87.82","0.001","77.083","0.001","740.89","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4,5-Dibromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one","8,9-Dibromo-7-methyl-3-phenyl-10-oxa-3-azatricyclo[5.2.1.0^1,5^]decan-4-one","","- C15 H15 Br2 N O2 -","- C15 H15 Br2 N O2 -","- C30 H30 Br4 N2 O4 -","2","1","YK2144","Mertsalov, Dmitriy F.; Nadirova, Maryana A.; Chervyakova, Lala V.; Grigoriev, Mikhail S.; Shelukho, Evgeniya R.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-6-methyl-2-phenyl-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one","Acta Crystallographica Section E","2021","77","3","237","241","10.1107/S205698902100116X","","","0.71073","MoKα","","0.0358","0.0245","","","0.0562","0.0593","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","261867","2021-02-10","05:56:08",""
"2243748","13.8467","0.0003","15.8409","0.0003","8.0225","0.0002","90","","104.814","0.001","90","","1701.2","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,3-Dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","WM5599","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.","Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide","Acta Crystallographica Section E","2021","77","3","242","246","10.1107/S2056989021001353","","","1.54178","CuKα","","0.0421","0.0363","","","0.0909","0.0951","","","","","","1.051","","","","has coordinates,has Fobs","261939","2021-02-13","06:11:25",""
"2243749","14.3493","0.0008","15.7501","0.0009","8.3737","0.0005","90","","106.285","0.002","90","","1816.55","0.18","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-Benzylidene]-2-(2,3-dimethylanilino)-benzohydrazide","","- C22 H21 N3 O -","- C22 H21 N3 O -","- C88 H84 N12 O4 -","4","1","WM5599","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.","Crystal structures of two hydrazide derivatives of mefenamic acid, 3-(2,3-dimethylanilino)-<i>N</i>'-[(<i>E</i>)-(furan-2-yl)methylidene]benzohydrazide and <i>N</i>'-[(<i>E</i>)-benzylidene]-2-(2,3-dimethylanilino)benzohydrazide","Acta Crystallographica Section E","2021","77","3","242","246","10.1107/S2056989021001353","","","1.54178","CuKα","","0.0444","0.0367","","","0.0868","0.092","","","","","","1.044","","","","has coordinates,has Fobs","261939","2021-02-13","06:11:27",""
"2243750","9.5289","0.0002","18.6653","0.0005","13.8046","0.0003","90","","96.41","0.002","90","","2439.93","0.1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate","","- C27 H33 N O5 -","- C27 H33 N O5 -","- C108 H132 N4 O20 -","4","1","HB7967","Allah, Omyma A. A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Elgarhy, Sahar M. I.","Crystal structure and Hirshfeld surface analysis of ethyl 2-[9-(2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,4a,5,6,7,8a,9,9a,10,10a-dodecahydroacridin-10-yl]acetate","Acta Crystallographica Section E","2021","77","3","247","250","10.1107/S2056989021001341","","x-ray","1.54184","CuKα","","0.0534","0.0453","","","0.119","0.1264","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","261940","2021-02-13","06:12:02",""
"2243751","17.4839","0.0005","8.2993","0.0003","21.512","0.0007","90","","106.115","0.002","90","","2998.83","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one","","- C15 H15 Br2 N O2 -","- C15 H15 Br2 N O2 -","- C120 H120 Br16 N8 O16 -","8","2","JY2005","Mertsalov, Dmitriy F.; Zaytsev, Vladimir P.; Pokazeev, Kuzma M.; Grigoriev, Mikhail S.; Bachinsky, Alexander V.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 2-benzyl-4,5-dibromo-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one","Acta Crystallographica Section E","2021","77","3","255","259","10.1107/S2056989021001481","","","0.71073","MoKα","","0.1029","0.0432","","","0.0772","0.0912","","","","","","1.019","","","","has coordinates,has Fobs","261941","2021-02-13","06:12:30",""
"2243752","11.821","0.0008","11.8395","0.0008","16.7336","0.0011","77.949","0.001","79.555","0.001","77.511","0.001","2213.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-3-Hydroxy-2-{[(3a<i>RS</i>,6<i>RS</i>,7a<i>RS</i>)-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1<i>H</i>-isoindol-6-yl]methyl}isoindolin-1-one","","- C24 H24 N2 O5 S -","- C24 H24 N2 O5 S -","- C96 H96 N8 O20 S4 -","4","2","ZV2004","Mertsalov, Dmitriy F.; Nadirova, Maryana A.; Sorokina, Elena A.; Vinokurova, Marina A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Kolesnik, Irina A.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>RS</i>)-3-hydroxy-2-{[(3a<i>RS</i>,6<i>RS</i>,7a<i>RS</i>)-2-(4-methylphenylsulfonyl)-2,3,3a,6,7,7a-hexahydro-3a,6-epoxy-1<i>H</i>-isoindol-6-yl]methyl}isoindolin-1-one","Acta Crystallographica Section E","2021","77","3","260","265","10.1107/S2056989021001626","","","0.71073","MoKα","","0.1027","0.0604","","","0.128","0.1472","","","","","","1.018","","","","has coordinates,has Fobs","262020","2021-02-17","06:01:49",""
"2243753","7.6516","0.0005","9.9272","0.0006","10.0722","0.0006","95.204","0.004","107.729","0.004","111.462","0.004","660.34","0.08","90","0.5","90","0.5","","","","","","","","5","P -1","-P 1","2","(bpy)Cu(2-(hydroxymethyl)tartronate)","[(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[2-hydroxy-2-(hydroxymethyl-κ<i>O</i>)propanedioato-κ^2^<i>O</i>^1^,<i>O</i>^3^]copper(II)]","","- C14 H12 Cu N2 O6 -","- C14 H12 Cu N2 O6 -","- C28 H24 Cu2 N4 O12 -","2","1","PK2655","Gao, Sen; Fronczek, Frank R.; Maverick, Andrew W.","A copper complex of an unusual hydroxy‒carboxylate ligand: [Cu(bpy)(C~4~H~4~O~6~)]","Acta Crystallographica Section E","2021","77","3","282","285","10.1107/S2056989021001286","","","0.71073","MoKα","","0.0974","0.0489","","","0.0912","0.1049","","","","","","1.021","","","","has coordinates,has Fobs","262111","2021-02-20","06:15:59",""
"2243754","6.2758","0.0003","23.6912","0.001","7.776","0.004","90","","91.21","0.02","90","","1155.9","0.6","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol‒bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol (2/1)","","- C8 H14 O2 -","- C8 H14 O2 -","- C48 H84 O12 -","6","1.5","ZL2800","Chan, Isa Y. H.; Bhadbhade, Mohan M.; Bishop, Roger","Threefold helical assembly <i>via</i> hydroxy hydrogen bonds: the 2:1 co-crystal of bicyclo[3.3.0]octane-<i>endo</i>-3,<i>endo</i>-7-diol and bicyclo[3.3.0]octane-<i>endo</i>-3,<i>exo</i>-7-diol","Acta Crystallographica Section E","2021","77","3","270","276","10.1107/S2056989021001730","","","0.71073","Synchrotron","","0.0525","0.0486","","","0.1242","0.1273","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","262112","2021-02-20","06:16:24",""
"2243755","26.8396","0.0006","5.1174","0.0001","17.2574","0.0004","90","","121.764","0.001","90","","2015.27","0.08","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-[(1<i>E</i>)-(4-{4-[(<i>E</i>)-(3-Hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","0.5","YK2146","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hawaiz, Farouq E.; Elgarhy, Sahar M. I.; Al-Taifi, Elham A.","Crystal structure and Hirshfeld surface analysis of 3-[(1<i>E</i>)-(4-{4-[(<i>E</i>)-(3-hydroxybenzylidene)amino]phenoxy}phenylimino)methyl]phenol","Acta Crystallographica Section E","2021","77","3","266","269","10.1107/S205698902100181X","","","1.54178","CuKα","","0.0347","0.033","","","0.0842","0.086","","","","","","1.053","","","","has coordinates,has Fobs","262113","2021-02-20","06:16:48",""
"2243756","18.3849","0.0013","7.7063","0.0006","13.9216","0.001","90","","100.136","0.005","90","","1941.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[2-(4-Fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide","","- C21 H16 F N3 O3 S -","- C21 H16 F N3 O3 S -","- C84 H64 F4 N12 O12 S4 -","4","1","DJ2021","Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.","Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide","Acta Crystallographica Section E","2021","77","3","277","281","10.1107/S2056989021001900","","","0.71073","MoKα","","0.0796","0.043","","","0.1048","0.1188","","","","","","1.041","","","","has coordinates,has Fobs","262114","2021-02-20","06:17:25",""
"2243757","47.298","0.003","4.8054","0.0003","18.4939","0.001","90","","100.429","0.006","90","","4134","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-[2-(4-Fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide","","- C22 H18 F N3 O4 S -","- C22 H18 F N3 O4 S -","- C176 H144 F8 N24 O32 S8 -","8","1","","Dey, Dhananjay; Shruti, I.; Chopra, Deepak; Mohan, T. P.","Structural investigation of <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]benzamide and <i>N</i>-[2-(4-fluoro-3-phenoxybenzoyl)hydrazinecarbothioyl]-4-methoxybenzamide","Acta Crystallographica Section E","2021","77","3","277","281","10.1107/S2056989021001900","","","0.71073","MoKα","","0.061","0.0456","","","0.1128","0.1219","","","","","","1.064","","","","has coordinates,has Fobs","262114","2021-02-20","06:17:25",""
"2243758","11.272","0.0003","16.1954","0.0003","14.2778","0.0003","90","","111.18","0.003","90","","2430.41","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-<i>n</i>-butyl[<i>N</i>'-(3-methoxy-2-oxidobenzylidene)-<i>N</i>-phenylcarbamohydrazonothioato]tin(IV)","","- C23 H31 N3 O2 S Sn -","- C23 H31 N3 O2 S Sn -","- C92 H124 N12 O8 S4 Sn4 -","4","1","HB7969","Yusof, Enis Nadia Md; Kwong, Huey Chong; Karunakaran, Thiruventhan; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T.","Di-<i>n</i>-butyl[<i>N</i>'-(3-methoxy-2-oxidobenzylidene)-<i>N</i>-phenylcarbamohydrazonothioato]tin(IV): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2021","77","3","286","293","10.1107/S2056989021001870","","x-ray","0.71073","MoKα","","0.0508","0.0334","","","0.0694","0.0763","","","","","","1.035","","","","has coordinates,has Fobs","262186","2021-02-24","06:15:39",""
"2243759","8.6739","0.0005","10.549","0.0005","12.4021","0.0008","91.351","0.004","101.065","0.005","97.235","0.004","1103.51","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1<i>H</i>-benzo[<i>c</i>][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C22 H22 Cl N3 O4 S -","- C22 H22 Cl N3 O4 S -","- C44 H44 Cl2 N6 O8 S2 -","2","1","WM5596","Shyshkina, Mariia O.; Lega, Dmitry A.; Goryachiy, Volodymyr D.; Shemchuk, Ludmila M.; Levashov, Dmitriy V.; Shemchuk, Leonid A.","2-Amino-4-(4-chloro-1-ethyl-2,2-dioxo-1<i>H</i>-benzo[<i>c</i>][1,2]thiazin-3-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile: single-crystal X-ray diffraction study and Hirshfeld surface analysis","Acta Crystallographica Section E","2021","77","3","294","297","10.1107/S2056989021002085","","","0.71073","MoKα","","0.1088","0.0733","","","0.1925","0.2318","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","262295","2021-02-27","05:58:04",""
"2243760","15.0694","0.0003","16.9659","0.0003","22.192","0.0004","90","","90","","90","","5673.74","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]","","- C14 H21.61 K4 N8 Ni2 O18.81 -","- C14 H21.61 K4 N8 Ni2 O18.805 -","- C112 H172.88 K32 N64 Ni16 O150.44 -","8","1","WM5595","Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Iskenderov, Turganbay S.; Mulloev, Nurullo U.","Crystal structure and Hirshfeld surface analysis of poly[[bis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium] 4.8-hydrate]","Acta Crystallographica Section E","2021","77","3","298","304","10.1107/S205698902100205X","","","0.71073","MoKα","","0.0404","0.0334","","","0.0722","0.0762","","","","","","1.101","","","","has coordinates,has disorder,has Fobs","262296","2021-02-27","05:58:37",""
"2243761","14.654","0.003","8.9148","0.0017","13.045","0.002","90","","102.581","0.003","90","","1663.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 4","2-Chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide","","- C17 H20 Cl N O5 -","- C17 H20 Cl N O5 -","- C68 H80 Cl4 N4 O20 -","4","1","HB7962","Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward","Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide","Acta Crystallographica Section E","2021","77","3","314","318","10.1107/S2056989021001778","","","0.71073","MoKα","","0.0562","0.0401","","","0.1007","0.1109","","","","","","1.054","","","","has coordinates,has Fobs","262297","2021-02-27","05:59:23",""
"2243762","14.6986","0.0013","10.6309","0.001","25.131","0.002","90","","90.1851","0.0014","90","","3926.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound","2-Chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide","","- C19 H24 Cl N O5 -","- C19 H24 Cl N O5 -","- C152 H192 Cl8 N8 O40 -","8","2","HB7962","Anderson, Alan J.; Butcher, Ray J.; Ollie, Edward","Syntheses and structures of two benzoyl amides: 2-chloro-4-ethoxy-3,5-dimethoxy-<i>N</i>-(3-oxocyclohex-1-en-1-yl)benzamide and 2-chloro-<i>N</i>-(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)-4-ethoxy-3,5-dimethoxybenzamide","Acta Crystallographica Section E","2021","77","3","314","318","10.1107/S2056989021001778","","","0.71073","MoKα","","0.0506","0.0394","","","0.1064","0.1152","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","262297","2021-02-27","05:59:23",""
"2243763","7.8669","0.0017","9.71","0.002","10.424","0.002","97.016","0.003","110.701","0.003","109.049","0.003","678.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaquadi-μ-hydroxido-tetrakis(μ-pyridine-3-carboxylato <i>N</i>-oxide)tricopper(II)]","","- C24 H22 Cu3 N4 O16 -","- C24 H22 Cu3 N4 O16 -","- C24 H22 Cu3 N4 O16 -","1","0.5","JQ2004","Mirzaei, Masoud; Bazargan, Maryam; Ebtehaj, Pouria; Mague, Joel T.","A redetermination of the structure and Hirshfeld surface analysis of poly[diaquadi-μ-hydroxido-tetrakis(μ-nicotinato <i>N</i>-oxide)tricopper(II)]","Acta Crystallographica Section E","2021","77","3","309","313","10.1107/S2056989021002000","","","0.71073","MoKα","","0.0249","0.0234","","","0.0646","0.0654","","","","","","1.055","","","","has coordinates,has Fobs","262298","2021-02-27","05:59:57",""
"2243764","10.7812","0.0009","12.7877","0.0011","15.4575","0.0013","90","","109.635","0.002","90","","2007.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-2-(4-Bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole","","- C23 H19 Br N4 O2 -","- C23 H19 Br N4 O2 -","- C92 H76 Br4 N16 O8 -","4","1","YK2143","Temesgen, Ayalew; Tskhovrebov, Alexander G.; Vologzhanina, Anna V.; Le, Tuan A.; Khrustalev, Victor N.","Crystal structure of 2-[(<i>E</i>)-2-(4-bromophenyl)diazen-1-yl]-4,5-bis(4-methoxyphenyl)-1<i>H</i>-imidazole: the first example of a structurally characterized triarylazoimidazole","Acta Crystallographica Section E","2021","77","3","305","308","10.1107/S2056989021002024","","","0.71073","MoKα","","0.1165","0.0521","","","0.1034","0.1222","","","","","","1.004","","","","has coordinates,has Fobs","262299","2021-02-27","06:00:18",""
"2243765","13.72487","0.00009","13.05333","0.00009","8.5597","0.00006","90","","95.522","0.0006","90","","1526.4","0.018","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Allyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate","Allyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","WM5600","Nowatschin, Vanessa; Näther, Christian; Lüning, Ulrich","Synthesis and crystal structure of allyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2021","77","4","331","334","10.1107/S2056989021002218","","x-ray","1.54184","CuKα","","0.0345","0.0332","","","0.0887","0.0898","","","","","","1.034","","","","has coordinates,has Fobs","262381","2021-03-03","07:11:32",""
"2243766","27.9446","0.0004","8.4311","0.0001","35.0101","0.0005","90","","90","","90","","8248.51","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4-Chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid","","- C23 H21 Cl N2 O3 -","- C23 H21 Cl N2 O3 -","- C368 H336 Cl16 N32 O48 -","16","2","YZ2005","Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.","Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2021","77","4","351","355","10.1107/S2056989021002140","","x-ray","1.54184","CuKα","","0.057","0.0497","","","0.1256","0.1316","","","","","","1.041","","","","has coordinates,has Fobs","262791","2021-03-06","06:19:02",""
"2243767","10.3486","0.0002","13.9969","0.0003","27.5353","0.0005","90","","93.797","0.002","90","","3979.69","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C192 H176 N16 O24 -","8","2","YZ2005","Allah, Omyma A. Abd; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Tamam, Asmaa H. A.; Elgarhy, Sahar M. I.; Jasinski, Jerry P.","Crystal structures of 1-(4-chlorophenyl)-4-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid and 4-(4-methoxyphenyl)-1-(4-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2021","77","4","351","355","10.1107/S2056989021002140","","","1.54184","CuKα","","0.0741","0.0487","","","0.1228","0.139","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","262791","2021-03-06","06:19:15",""
"2243768","8.6269","0.0007","9.8418","0.0009","14.9","0.001","90.588","0.007","106.162","0.008","101.441","0.007","1188.05","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3'-Methyl-5'-(2-methylphenoxy)-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'<i>H</i>,2<i>H</i>-3,4'-bipyrazole-2-carbothioamide","","- C25 H23 N5 O S2 -","- C25 H23 N5 O S2 -","- C50 H46 N10 O2 S4 -","2","1","DX2035","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products","Acta Crystallographica Section E","2021","77","4","335","340","10.1107/S2056989021002310","","","0.71073","MoKα","","0.1333","0.0561","","","0.0953","0.1119","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","262792","2021-03-06","06:20:26",""
"2243769","15.037","0.001","8.4266","0.0006","19.471","0.001","90","","96.246","0.006","90","","2452.5","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","5'-(2,4-Dichlorophenoxy)-3'-methyl-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'<i>H</i>,2<i>H</i>-3,4'-bipyrazole-2-carbothioamide hemihydrate","","- C48 H40 Cl4 N10 O3 S4 -","- C48 H40 Cl4 N10 O3 S4 -","- C96 H80 Cl8 N20 O6 S8 -","2","0.5","DX2035","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products","Acta Crystallographica Section E","2021","77","4","335","340","10.1107/S2056989021002310","","","0.71073","MoKα","","0.1008","0.0464","","","0.0832","0.0965","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","262792","2021-03-06","06:20:26",""
"2243770","10.783","0.002","11.683","0.003","13.577","0.003","93.54","0.02","105.17","0.02","113.2","0.02","1490.9","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl (<i>Z</i>)-2-{2-[3'-methyl-1'-phenyl-5-(thiophen-2-yl)-5'-(2-methylphenoxy)-3,4-dihydro-1'<i>H</i>,2<i>H</i>-3,4'-bipyrazole-2-yl]-4-oxo-4,5-dihydrothiazol-5-ylidene}acetate","","- C31 H27 N5 O4 S2 -","- C31 H27 N5 O4 S2 -","- C62 H54 N10 O8 S4 -","2","1","DX2035","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products","Acta Crystallographica Section E","2021","77","4","335","340","10.1107/S2056989021002310","","","0.71073","MoKα","","0.2621","0.0794","","","0.1076","0.1427","","","","","","0.882","","","","has coordinates,has disorder,has Fobs","262792","2021-03-06","06:20:27",""
"2243771","12.32","0.0009","12.57","0.0009","12.7742","0.0009","117.202","0.008","102.879","0.007","105.727","0.007","1548.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","4-(4-Bromophenyl)-2-[5'-(2,4-dichlorophenoxy)-3'-methyl-1'-phenyl-5-(thiophen-2-yl)-3,4-dihydro-1'<i>H</i>,2<i>H</i>-3,4'-bipyrazole-2-yl]-4-thiazole","","- C32 H22 Br Cl2 N5 O S2 -","- C32 H22 Br Cl2 N5 O S2 -","- C64 H44 Br2 Cl4 N10 O2 S4 -","2","1","DX2035","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Reduced 3,4'-bipyrazoles carrying thiophene and thiazole substituents: structures of two intermediates and two products","Acta Crystallographica Section E","2021","77","4","335","340","10.1107/S2056989021002310","","","0.71073","MoKα","","0.0886","0.0388","","","0.0835","0.0946","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","262792","2021-03-06","06:20:27",""
"2243772","10.5733","0.001","22.848","0.002","8.7151","0.0009","90","","101.477","0.004","90","","2063.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","YK2147","Aydin, Abdullah; Akkurt, Mehmet; Turanli, Sumeyye; Lengerli, Deniz; Banoglu, Erden; Ozcelik, Nefise Dilek","Crystal structure and Hirshfeld surface analysis of 4-(4-chlorophenyl)-5-methyl-3-{4-[(2-methylphenyl)methoxy]phenyl}-1,2-oxazole","Acta Crystallographica Section E","2021","77","4","346","350","10.1107/S2056989021002383","","","0.71073","MoKα","","0.1217","0.0993","","","0.174","0.1866","","","","","","1.246","","","","has coordinates,has Fobs","262793","2021-03-06","06:21:11",""
"2243773","10.2576","0.0011","9.5127","0.001","10.5318","0.0011","90","","104.691","0.002","90","","994.07","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>tert</i>-Butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate","","- C20 H27 F N2 O2 -","- C20 H27 F N2 O2 -","- C40 H54 F2 N4 O4 -","2","1","ZL5007","Gumireddy, Ashwini; DeBoyace, Kevin; Rupprecht, Alexander; Gupta, Mohit; Patel, Saloni; Flaherty, Patrick T.; Wildfong, Peter L. D.","Crystal structure of <i>tert</i>-butyl 4-[4-(4-fluorophenyl)-2-methylbut-3-yn-2-yl]piperazine-1-carboxylate","Acta Crystallographica Section E","2021","77","4","360","365","10.1107/S2056989021002346","","","0.71073","MoKα","","0.0577","0.0395","","","0.0975","0.1088","","","","","","1.04","","","","has coordinates,has Fobs","262794","2021-03-06","06:21:44",""
"2243774","4.8436","0.0005","13.9149","0.0013","18.5479","0.0017","90","","90","","90","","1250.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4-Bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole","4-Bromo-1-[(4-methylbenzene)sulfonyl]pyrrole-2-carbaldehyde","","- C12 H10 Br N O3 S -","- C12 H10 Br N O3 S -","- C48 H40 Br4 N4 O12 S4 -","4","1","TX2036","Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.","Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one","Acta Crystallographica Section E","2021","77","4","341","345","10.1107/S2056989021002280","","","0.71073","MoKα","","0.0249","0.0206","","","0.0439","0.045","","","","","","1.036","","","","has coordinates,has Fobs","262795","2021-03-06","06:22:43",""
"2243775","6.8904","0.0004","8.3224","0.0004","12.8763","0.0007","83.423","0.003","80.393","0.003","85.693","0.003","722.06","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole","(E)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1H-pyrrole","","- C13 H11 Br N2 O4 S -","- C13 H11 Br N2 O4 S -","- C26 H22 Br2 N4 O8 S2 -","2","1","","Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.","Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one","Acta Crystallographica Section E","2021","77","4","341","345","10.1107/S2056989021002280","","","1.54178","CuKα","","0.052","0.0491","","","0.1388","0.1423","","","","","","1.047","","","","has coordinates,has Fobs","262795","2021-03-06","06:22:47",""
"2243776","7.7375","0.0002","15.9728","0.0003","16.7621","0.0003","90","","93.055","0.001","90","","2068.68","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one","6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one","","- C19 H23 Br N2 O5 S -","- C19 H23 Br N2 O5 S -","- C76 H92 Br4 N8 O20 S4 -","4","1","","Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.","Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one","Acta Crystallographica Section E","2021","77","4","341","345","10.1107/S2056989021002280","","","0.71073","MoKα","","0.0387","0.0274","","","0.0694","0.0761","","","","","","1.108","","","","has coordinates,has Fobs","262795","2021-03-06","06:22:57",""
"2243777","11.5014","0.0003","11.534","0.0003","11.7878","0.0003","73.567","0.001","74.613","0.001","64.218","0.001","1332.1","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(3<i>S</i>,3a<i>R</i>,6a<i>S</i>)-3-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-5-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexahydro-2<i>H</i>-pyrrolo[3,4-<i>d</i>][1,2]oxazole-4,6-dione","","- C33 H26 N4 O4 -","- C33 H26 N4 O4 -","- C66 H52 N8 O8 -","2","1","EX2041","Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; El-Emary, Talaat I.; Akkurt, Mehmet; Elgarhy, Sahar M. I.","Crystal structure and Hirshfeld surface analysis of (3<i>S</i>,3a<i>R</i>,6a<i>S</i>)-3-(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)-5-(4-methoxyphenyl)-2-phenyl-3,3a,4,5,6,6a-hexahydro-2<i>H</i>-pyrrolo[3,4-<i>d</i>][1,2]oxazole-4,6-dione","Acta Crystallographica Section E","2021","77","4","356","359","10.1107/S2056989021002358","","","1.54178","CuKα","","0.0427","0.0371","","","0.0928","0.0979","","","","","","1.048","","","","has coordinates,has Fobs","262796","2021-03-06","06:23:37",""
"2243778","12.049","0.002","20.223","0.004","9.1743","0.0018","90","","100.91","0.03","90","","2195.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-<i>N</i>-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate","","- C100 H88.32 N8 O12.16 S4 -","- C100 H88 N8 O12.16 S4 -","- C100 H88 N8 O12.16 S4 -","1","0.25","JQ2005","Naghiyev, Farid N.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynov, Elnur Z.; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 3-cyano-4-hydroxy-2-(4-methylphenyl)-6-oxo-<i>N</i>-phenyl-4-(thiophen-2-yl)cyclohexane-1-carboxamide 0.04-hydrate","Acta Crystallographica Section E","2021","77","4","366","371","10.1107/S2056989021002449","","","0.71073","MoKα","","0.072","0.0427","","","0.0877","0.0994","","","","","","1.024","","","","has coordinates,has Fobs","262963","2021-03-10","06:02:21",""
"2243779","7.7099","0.0007","11.2838","0.001","12.9539","0.0013","89.413","0.008","79.094","0.007","82.27","0.007","1096.41","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","8-{1-[3-(Cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline","","- C27 H30 N2 O -","- C27 H30 N2 O -","- C54 H60 N4 O2 -","2","1","","Ullah, Nisar; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline and 8-{4-[3-(cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline","Acta Crystallographica Section E","2021","77","4","372","377","10.1107/S2056989021002474","","","0.71073","MoKα","","0.0629","0.0354","","","0.0792","0.0837","","","","","","0.829","","","","has coordinates,has Fobs","262964","2021-03-10","06:03:04",""
"2243780","7.9142","0.0008","10.9051","0.0013","12.8896","0.0014","87.271","0.009","79.29","0.008","82.206","0.009","1082.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","8-{4-[3-(Cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C52 H58 N6 O2 -","2","1","","Ullah, Nisar; Stoeckli-Evans, Helen","The crystal structures, Hirshfeld surface analyses and energy frameworks of 8-{1-[3-(cyclopent-1-en-1-yl)benzyl]piperidin-4-yl}-2-methoxyquinoline and 8-{4-[3-(cyclopent-1-en-1-yl)benzyl]piperazin-1-yl}-2-methoxyquinoline","Acta Crystallographica Section E","2021","77","4","372","377","10.1107/S2056989021002474","","","0.71073","MoKα","","0.1237","0.056","","","0.1042","0.1213","","","","","","0.904","","","","has coordinates,has Fobs","262964","2021-03-10","06:03:04",""
"2243781","10.466","0.0004","12.1614","0.0005","14.7636","0.0006","90","","110.362","0.001","90","","1761.71","0.12","301","2","301","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Methyl-4-(thiophen-2-ylmethylidene)isoxazol-5(4<i>H</i>)-one","","- C9 H7 N O2 S -","- C9 H7 N O2 S -","- C72 H56 N8 O16 S8 -","8","2","ZN2002","Laroum, Rima; Benouatas, Assia; Hamdouni, Noudjoud; Zemamouche, Wissame; Boudjada, Ali; Debache, Abdelmadjid","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-3-methyl-4-(thiophen-2-ylmethylidene)isoxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2021","77","4","378","382","10.1107/S2056989021002632","","","0.71073","MoKα","","0.1326","0.0785","","","0.2063","0.2391","","","","","","1.072","","","","has coordinates,has Fobs","263026","2021-03-13","06:05:50",""
"2243782","8.753","0.0015","12.217","0.002","13.657","0.002","94.159","0.003","96.016","0.003","103.256","0.003","1406.6","0.4","112","2","112","2","","","","","","","","5","P -1","-P 1","2","","(Borohydrido-κ^3^<i>H</i>)tris[η^5^-(trimethylsilyl)cyclopentadienyl]uranium(IV)","","- C24 H43 B Si3 U -","- C24 H43 B Si3 U -","- C48 H86 B2 Si6 U2 -","2","1","ZL5005","Windorff, Cory J.; Cross, Justin N.; Scott, Brian L.; Kozimor, Stosh A.; Evans, William J.","Crystallographic characterization of (C~5~H~4~SiMe~3~)~3~U(BH~4~)","Acta Crystallographica Section E","2021","77","4","383","389","10.1107/S2056989021002425","","","0.71073","MoKα","","0.0466","0.037","","","0.0975","0.1017","","","","","","1.068","","","","has coordinates,has Fobs","263027","2021-03-13","06:06:31",""
"2243783","9.6545","0.0006","11.2437","0.0006","22.9108","0.0014","90","","90","","90","","2487","0.3","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-Methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C104 H104 N24 O8 -","8","1","TX2037","Idrissi, Ahlam; Chkirate, Karim; Abad, Nadeem; Djerrari, Bahia; Achour, Redouane; Essassi, El Mokhtar; Van Meervelt, Luc","Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2021","77","4","396","401","10.1107/S2056989021002723","","x-ray","0.71073","MoKα","","0.0899","0.0635","","","0.1798","0.2028","","","","","","1.052","","","","has coordinates,has Fobs","263203","2021-03-20","06:13:02",""
"2243784","5.7347","0.0004","10.9336","0.0008","18.4692","0.0012","104.844","0.005","97.478","0.005","95.404","0.006","1100","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","P.R.52 monosodium DMSO-monosolvate monohydrate","Monosodium 2-[2-(3-carboxy-2-oxo-1,2-dihydronaphthalen-1-ylidene)hydrazin-1-yl]-5-chloro-4-methylbenzenesulfonate dimethyl sulfoxide monosolvate monohydrate","","- C20 H20 Cl N2 Na O8 S2 -","- C20 H20 Cl N2 Na O8 S2 -","- C40 H40 Cl2 N4 Na2 O16 S4 -","2","1","YK2145","Tapmeyer, Lukas; Eisenbeil, Daniel; Bolte, Michael; Schmidt, Martin U.","First crystal structure of a Pigment Red 52 compound: DMSO solvate hydrate of the monosodium salt","Acta Crystallographica Section E","2021","77","4","402","405","10.1107/S2056989021002577","","","0.71073","MoKα","","0.0737","0.0499","","","0.0911","0.0976","","","","","","1.078","","","","has coordinates,has Fobs","263204","2021-03-20","06:13:29",""
"2243785","12.7286","0.0003","7.4918","0.0002","22.8967","0.0006","90","","98.395","0.001","90","","2160.04","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(2-nitrobenzoato-κ<i>O</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C20 H24 Cu N4 O8 -","- C20 H24 Cu N4 O8 -","- C80 H96 Cu4 N16 O32 -","4","0.5","ZN2005","Kansiz, Sevgi; Qadir, Adnan M.; Dege, Necmi; Yongxin, Li; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of a copper(II) complex containing 2-nitrobenzoate and tetramethylethylenediamine ligands","Acta Crystallographica Section E","2021","77","4","412","415","10.1107/S2056989021002802","","","0.71073","MoKα","","0.0665","0.042","","","0.081","0.0917","","","","","","1.034","","","","has coordinates,has Fobs","263205","2021-03-20","06:13:54",""
"2243786","7.8791","0.0007","9.2908","0.0007","13.5352","0.0011","108.081","0.003","104.365","0.003","95.903","0.003","894.87","0.13","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(<i>N</i>,<i>N</i>-diallyl-5-methoxytryptammonium) fumarate","Bis{<i>N</i>-[2-(5-methoxy-1<i>H</i>-indol-3-yl)ethyl]- <i>N</i>-(prop-2-en-1-yl)prop-2-en-1-aminium} (<i>E</i>)-but-2-enedioate","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C38 H48 N4 O6 -","2","1","EY2005","Pham, Duyen N. K.; Sammeta, Vamshikrishna Reddy; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","`Foxtrot' fumarate: a water-soluble salt of <i>N</i>,<i>N</i>-diallyl-5-methoxytryptamine (5-MeO-DALT)","Acta Crystallographica Section E","2021","77","4","416","419","10.1107/S2056989021002838","","","0.71073","MoKα","","0.0529","0.0426","","","0.1054","0.1138","","","","","","1.046","","","","has coordinates,has Fobs","263206","2021-03-20","06:14:25",""
"2243787","14.5474","0.0007","17.8777","0.0008","9.0803","0.0004","90","","108.773","0.002","90","","2235.92","0.18","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>E</i>)-1-(3-Benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide","","- C26 H24 Br N3 S -","- C26 H24 Br N3 S -","- C104 H96 Br4 N12 S4 -","4","1","HB7963","Mohamed, Shaaban K.; Elgarhy, Sahar M. I.; Hassan, Alaa A.; Demirtaş, Güneş; Mague, Joel. T.; Ramli, Youssef","Crystal structure of (<i>E</i>)-1-(3-benzyl-5-phenyl-1,3-thiazol-2-ylidene)-2-[(<i>E</i>)-1,2,3,4-tetrahydronaphthalen-1-ylidene]hydrazin-1-ium bromide","Acta Crystallographica Section E","2021","77","4","420","423","10.1107/S2056989021002863","","","0.71073","MoKα","","0.0246","0.0227","","","0.0514","0.052","","","","","","1.026","","","","has coordinates,has Fobs","263290","2021-03-24","06:23:50",""
"2243788","7.6431","0.0003","11.9347","0.0006","14.0058","0.0007","90","","95.519","0.004","90","","1271.66","0.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>trans</i>-2,5-Dimethylpiperazine-1,4-diium tetrachloridocobaltate(II)","","- C6 H16 Cl4 Co N2 -","- C6 H16 Cl4 Co N2 -","- C24 H64 Cl16 Co4 N8 -","4","0.5","HB7971","Landolsi, Meriem; Abid, Sonia","Crystal structure and Hirshfeld surface analysis of <i>trans</i>-2,5-dimethylpiperazine-1,4-diium tetrachloridocobaltate(II)","Acta Crystallographica Section E","2021","77","4","424","427","10.1107/S2056989021002954","","","0.71073","MoKα","","0.0334","0.0283","","","0.0699","0.0741","","","","","","1.081","","","","has coordinates","263390","2021-03-27","06:12:04",""
"2243789","15.7469","0.0005","13.2627","0.0004","17.8602","0.0006","90","","106.376","0.0013","90","","3578.7","0.2","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate 0.476-hydrate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate 0.476-hydrate","","- C36 H35.96 Br N2 O6.48 -","- C36 H35.952 Br N2 O6.476 -","- C144 H143.808 Br4 N8 O25.904 -","4","1","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","1.54178","CuKα","","0.0445","0.0413","","","0.1041","0.1065","","","","","","1.084","","","","has coordinates,has Fobs","263391","2021-03-27","06:13:53",""
"2243790","16.4119","0.0006","13.5643","0.0006","17.8475","0.0008","90","","107.318","0.003","90","","3793","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate tetetrahydrofuran sesquihydrate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate tetrahydrofuran sesquihydrate","","- C84 H94 Br2 N4 O15 -","- C84 H94 Br2 N4 O15 -","- C168 H188 Br4 N8 O30 -","2","0.5","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","1.54178","CuKα","","0.0592","0.0538","","","0.1223","0.127","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","263391","2021-03-27","06:13:56",""
"2243791","16.1525","0.001","13.5353","0.0009","17.8572","0.0011","90","","107.359","0.002","90","","3726.3","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Bedaquilinium maleate ethyl acetate 0.821-solvate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate ethyl acetate 0.821-solvate","","- C39.28 H41.57 Br N2 O7.64 -","- C39.282 H41.564 Br N2 O7.641 -","- C157.128 H166.256 Br4 N8 O30.564 -","4","2","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.1257","0.0618","","","0.1642","0.1999","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","263391","2021-03-27","06:13:56",""
"2243792","16.0678","0.0009","13.644","0.0008","17.872","0.0008","90","","107.635","0.0018","90","","3733.9","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate‒hexane‒acetone (1/0.248/1)","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate‒hexane‒acetone (1/0.248/1)","","- C81 H89 Br2 N4 O14 -","- C81 H88.99 Br2 N4 O14.01 -","- C162 H177.98 Br4 N8 O28.02 -","2","0.5","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.0815","0.0466","","","0.1096","0.1261","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","263391","2021-03-27","06:13:56",""
"2243793","15.7494","0.0012","13.3568","0.0011","17.8634","0.0014","90","","106.5","0.003","90","","3603","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","1","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.0691","0.0477","","","0.1305","0.1424","","","","","","1.055","","","","has coordinates,has Fobs","263391","2021-03-27","06:13:56",""
"2243794","15.7494","0.0012","13.3568","0.0011","17.8634","0.0014","90","","106.5","0.003","90","","3603","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","Bedaquilinium maleate","[4-(6-bromo-2-methoxyquinolin-3-yl)-3-hydroxy-3-(naphthalen-1-yl)-4-phenylbutyl]dimethylazanium 3-carboxyprop-2-enoate","","- C36 H35 Br N2 O6 -","- C36 H35 Br N2 O6 -","- C144 H140 Br4 N8 O24 -","4","1","TX2038","Zeller, Matthias; Bogdanowich-Knipp, Susan; Smith, Pamela; Purcell, Dale K.; Okezue, Mercy; Smith, Daniel T.; Byrn, Stephen R.; Clase, Kari L.","Maleate salts of bedaquiline","Acta Crystallographica Section E","2021","77","4","433","445","10.1107/S2056989021002991","","","0.71073","MoKα","","0.0615","0.0415","","","0.1103","0.1193","","","","","","1.063","","","","has coordinates,has Fobs","263391","2021-03-27","06:13:56",""
"2243795","8.2442","0.0004","11.9186","0.0004","8.9204","0.0004","90","","100.807","0.004","90","","860.97","0.06","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis[μ~2~-3-(aminomethyl)pyridine]bis(thiocyanato)cobalt(II)]","","- C14 H16 Co N6 S2 -","- C14 H16 Co N6 S2 -","- C28 H32 Co2 N12 S4 -","2","0.5","ZL5009","Krebs, Christoph; Jess, Inke; Näther, Christian","Synthesis, crystal structure and thermal properties of poly[bis[μ~2~-3-(aminomethyl)pyridine]bis(thiocyanato)cobalt(II)]","Acta Crystallographica Section E","2021","77","4","428","432","10.1107/S2056989021003005","","","0.71073","MoKα","","0.0342","0.0291","","","0.0694","0.0713","","","","","","1.152","","","","has coordinates,has Fobs","263392","2021-03-27","06:44:32",""
"2243796","8.8662","0.0003","13.3199","0.0004","13.919","0.0004","90","","90.042","0.001","90","","1643.79","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chloridotetrakis(imidazole)copper(II) chloride","","- C12 H16 Cl2 Cu N8 -","- C12 H16 Cl2 Cu N8 -","- C48 H64 Cl8 Cu4 N32 -","4","1","ME6126","Li, Ting Bin; Hu, Ya Li; Li, Ji Kun; He, Guo Fang","Chloridotetrakis(imidazole)copper(II) chloride. Corrigendum","Acta Crystallographica Section E","2021","77","4","450","451","10.1107/S2056989021002267","","","0.71073","MoKα","","0.0339","0.0259","","","0.0547","0.0567","","","","","","0.942","","","","has coordinates,has Fobs","263511","2021-04-01","05:14:30",""
"2243797","8.2521","0.0006","10.2774","0.0008","16.2102","0.0012","90","","92.07","0.002","90","","1373.89","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Amino-8-phenyl-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-\ 7,9-dicarbonitrile","","- C16 H15 N5 -","- C16 H15 N5 -","- C64 H60 N20 -","4","1","HB7972","Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 6-amino-8-phenyl-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile","Acta Crystallographica Section E","2021","77","5","512","515","10.1107/S2056989021003625","","","0.71073","MoKα","","0.1614","0.066","","","0.1333","0.172","","","","","","1.011","","","","has coordinates,has Fobs","264030","2021-04-10","05:01:48",""
"2243798","8.6598","0.0002","16.0275","0.0005","11.659","0.0003","90","","90.7364","0.0009","90","","1618.08","0.08","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","6-Amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile","","- C16 H13 Cl2 N5 -","- C16 H13 Cl2 N5 -","- C64 H52 Cl8 N20 -","4","1","WM5605","Naghiyev, Farid N.; Tereshina, Tatiana A.; Khrustalev, Victor N.; Akkurt, Mehmet; Rzayev, Rovnag M.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 6-amino-8-(2,6-dichlorophenyl)-1,3,4,8-tetrahydro-2<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidine-7,9-dicarbonitrile","Acta Crystallographica Section E","2021","77","5","516","521","10.1107/S2056989021003583","","","0.71073","MoKα","","0.072","0.0443","","","0.0785","0.0895","","","","","","1.025","","","","has coordinates,has Fobs","264031","2021-04-10","05:02:13",""
"2243799","6.6543","0.0002","18.9031","0.0005","25.1995","0.0007","90","","97.132","0.002","90","","3145.24","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3a<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>,7a<i>R</i>)-4,5-Dibromo-2-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one","","- C15 H12 Br2 F3 N O2 -","- C15 H12 Br2 F3 N O2 -","- C120 H96 Br16 F24 N8 O16 -","8","2","ZN2006","Mertsalov, Dmitriy F.; Alekseeva, Kseniia A.; Daria, Magrycheva S.; Cheshigin, Maxim E.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Grigoriev, Mikhail S.; Mlowe, Sixberth","(3a<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>,7a<i>R</i>)-4,5-Dibromo-2-[4-(trifluoromethyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-3a,6-epoxy-1<i>H</i>-isoindol-1-one: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2021","77","5","466","472","10.1107/S2056989021003200","","","0.71073","MoKα","","0.0894","0.0376","","","0.0636","0.0767","","","","","","0.999","","","","has coordinates,has Fobs","264034","2021-04-10","05:03:46",""
"2243800","5.5843","0.0008","9.0061","0.0014","12.739","0.002","101.537","0.018","94.313","0.018","103.701","0.017","604.8","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,3',3'',3'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene))tetrakis(sulfanediyl]}tetrapropionic acid","","- C20 H28 N2 O8 S4 -","- C20 H28 N2 O8 S4 -","- C20 H28 N2 O8 S4 -","1","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks","Acta Crystallographica Section E","2021","77","5","480","490","10.1107/S2056989021003479","","","0.71073","MoKα","","0.0691","0.0412","","","0.0895","0.0966","","","","","","0.884","","","","has coordinates,has Fobs","264035","2021-04-10","05:04:27",""
"2243801","4.9424","0.0017","8.993","0.003","14.19","0.006","96.96","0.03","97.14","0.03","100.72","0.03","608.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3,3',3'',3'''-{[Pyrazine-2,3,5,6-tetrayltetrakis(methylene))tetrakis(sulfanediyl]}tetrapropionic acid","","- C20 H28 N2 O8 S4 -","- C20 H28 N2 O8 S4 -","- C20 H28 N2 O8 S4 -","1","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks","Acta Crystallographica Section E","2021","77","5","480","490","10.1107/S2056989021003479","","","0.71073","MoKα","","0.0998","0.0711","","","0.1882","0.2078","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","264035","2021-04-10","05:04:28",""
"2243802","30.08","0.004","8.4716","0.001","9.5908","0.0012","90","","94.717","0.011","90","","2435.7","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(μ-3-{[(3,5,6-tris{[(2-carboxyethyl)sulfanyl]methyl}pyrazin-2-yl)methyl]sulfanyl}propanoato)potassium]","","- C20 H27 K N2 O8 S4 -","- C20 H27 K N2 O8 S4 -","- C80 H108 K4 N8 O32 S16 -","4","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks","Acta Crystallographica Section E","2021","77","5","480","490","10.1107/S2056989021003479","","","0.71073","MoKα","","0.0543","0.039","","","0.0977","0.1062","","","","","","1.018","","","","has coordinates,has Fobs","264035","2021-04-10","05:04:28",""
"2243803","27.908","0.002","8.2916","0.0006","11.3035","0.0009","90","","94.753","0.006","90","","2606.7","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[(μ-3,3'-{[(3,6-bis{[(2-carboxyethyl)sulfanyl]methyl}pyrazine-2,5-diyl)bis(methylene)]bis(sulfanediyl)}dipropionato)dipotassium]","","- C20 H26 K2 N2 O8 S4 -","- C20 H26 K2 N2 O8 S4 -","- C80 H104 K8 N8 O32 S16 -","4","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","A new tetrakis-substituted pyrazine carboxylic acid, 3,3',3'',3'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetrapropionic acid: crystal structures of two triclinic polymorphs and of two potassium‒organic frameworks","Acta Crystallographica Section E","2021","77","5","480","490","10.1107/S2056989021003479","","","0.71073","MoKα","","0.043","0.0366","","","0.0993","0.1034","","","","","","1.054","","","","has coordinates,has Fobs","264035","2021-04-10","05:04:28",""
"2243804","24.221","0.001","4.9481","0.0003","10.9981","0.0006","90","","95.371","0.005","90","","1312.31","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Benzo[<i>d</i>]thiazol-6-yl)-3-bromobenzamide","","- C14 H9 Br N2 O S -","- C14 H9 Br N2 O S -","- C56 H36 Br4 N8 O4 S4 -","4","1","HB7974","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents","Acta Crystallographica Section E","2021","77","5","504","511","10.1107/S2056989021003637","","","0.71073","MoKα","","0.0568","0.0427","","","0.1173","0.1231","","","","","","1.033","","","","has coordinates,has Fobs","264036","2021-04-10","05:05:22",""
"2243805","20.085","0.002","20.165","0.002","7.322","0.0006","90","","90","","90","","2965.5","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(6-Methoxybenzo[<i>d</i>]thiazol-2-yl)-2-nitrobenzamide","","- C15 H11 N3 O4 S -","- C15 H11 N3 O4 S -","- C120 H88 N24 O32 S8 -","8","2","HB7974","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents","Acta Crystallographica Section E","2021","77","5","504","511","10.1107/S2056989021003637","","","0.71073","MoKα","","0.1054","0.0491","","","0.0632","0.0748","","","","","","1.047","","","","has coordinates,has Fobs","264036","2021-04-10","05:05:22",""
"2243806","18.72","0.001","11.5255","0.0008","14.7905","0.0009","90","","115.52","0.01","90","","2879.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Cyclopropyl-<i>N</i>-(6-methoxybenzo[<i>d</i>]thiazol-2-yl)isoxazole-3-carboxamide","","- C15 H13 N3 O3 S -","- C15 H13 N3 O3 S -","- C120 H104 N24 O24 S8 -","8","1","HB7974","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","Different patterns of supramolecular aggregation in three amides containing <i>N</i>-(benzo[<i>d</i>]thiazolyl) substituents","Acta Crystallographica Section E","2021","77","5","504","511","10.1107/S2056989021003637","","","0.71073","MoKα","","0.1222","0.0564","","","0.0999","0.1191","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","264036","2021-04-10","05:05:22",""
"2243807","6.2223","0.0003","13.0931","0.0006","19.7791","0.001","90","","91.825","0.002","90","","1610.57","0.13","297","2","297.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine","<i>N</i>-[2-(5-Methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-amine","","- C17 H26 N2 O -","- C17 H26 N2 O -","- C68 H104 N8 O4 -","4","1","ZQ2261","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (5-MeO-DPT): freebase and fumarate","Acta Crystallographica Section E","2021","77","5","522","526","10.1107/S2056989021003753","","","0.71073","MoKα","","0.0566","0.0424","","","0.1034","0.1169","","","","","","1.06","","","","has coordinates,has Fobs","264116","2021-04-14","05:00:47",""
"2243808","9.2956","0.0006","9.4443","0.0006","12.7427","0.0008","78.552","0.002","75.929","0.002","60.806","0.002","943.06","0.11","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(5-methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptammonium) fumarate","Bis{<i>N</i>-[2-(5-methoxy-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>-propylpropan-1-aminium}; but-2-enedioate","","- C19 H28 N2 O3 -","- C19 H28 N2 O3 -","- C38 H56 N4 O6 -","2","1","","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","5-Methoxy-<i>N</i>,<i>N</i>-di-<i>n</i>-propyltryptamine (5-MeO-DPT): freebase and fumarate","Acta Crystallographica Section E","2021","77","5","522","526","10.1107/S2056989021003753","","","0.71073","MoKα","","0.0619","0.0519","","","0.1321","0.1422","","","","","","1.05","","","","has coordinates,has Fobs","264116","2021-04-14","05:00:48",""
"2243809","18.2076","0.0008","14.2859","0.0006","10.2713","0.0005","90","","98.245","0.001","90","","2644.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{[7-Acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-<i>N</i>-(4-chlorophenyl)acetamide","","- C28 H25 Cl2 N3 O3 S -","- C28 H25 Cl2 N3 O3 S -","- C112 H100 Cl8 N12 O12 S4 -","4","1","VM2246","Akkurt, Mehmet; Marae, Islam S.; Mague, Joel T.; Mohamed, Shaaban K.; Bakhite, Etify A.; Al-Waleedy, Safiyyah A. H.","Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-8-(4-chlorophenyl)-4-cyano-6-hydroxy-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-<i>N</i>-(4-chlorophenyl)acetamide","Acta Crystallographica Section E","2021","77","5","527","531","10.1107/S2056989021003674","","","0.71073","MoKα","","0.0515","0.0405","","","0.1097","0.115","","","","","","1.07","","","","has coordinates,has Fobs","264117","2021-04-14","05:01:18",""
"2243810","12.0238","0.0012","6.4316","0.0007","19.463","0.002","90","","96.618","0.004","90","","1495.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5-Dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,6-epoxy-1<i>H</i>-cyclopenta[<i>c</i>]pyridin-1-one","","- C15 H15 Br2 N O3 -","- C15 H15 Br2 N O3 -","- C60 H60 Br8 N4 O12 -","4","1","YK2149","Mertsalov, Dmitriy F.; Surina, Nataliya S.; Sorokina, Elena A.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Grigoriev, Mikhail S.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of 4,5-dibromo-2-(4-methoxyphenyl)-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,6-epoxy-1<i>H</i>-cyclopenta[<i>c</i>]pyridin-1-one","Acta Crystallographica Section E","2021","77","5","532","536","10.1107/S2056989021003273","","","0.71073","MoKα","","0.061","0.0371","","","0.082","0.0909","","","","","","1.009","","","","has coordinates,has Fobs","264274","2021-04-17","05:06:33",""
"2243811","24.0018","0.0003","12.4867","0.0001","28.4299","0.0003","90","","103.767","0.0008","90","","8275.76","0.15","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κ<i>P</i>)-μ-oxoethenylidene-<i>triangulo</i>-trigold(I) bis(trifluoromethanesulfonyl)imide","","- C82 H105 Au3 F6 N O11 P3 S2 -","- C82 H105 Au3 F6 N O11 P3 S2 -","- C328 H420 Au12 F24 N4 O44 P12 S8 -","4","1","YZ2006","Hartgerink, Colin T.; Staples, Richard J.; Anderson, Carolyn E.","Crystal structure of tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κ<i>P</i>)-μ-oxoethenylidene-<i>triangulo</i>-trigold(I) bis(trifluoromethanesulfonyl)imide","Acta Crystallographica Section E","2021","77","5","537","541","10.1107/S2056989021003844","","","1.54178","CuKα","","0.0817","0.0483","","","0.1051","0.1202","","","","","","1.007","","","","has coordinates,has Fobs","264275","2021-04-17","05:07:03",""
"2243812","10.689","0.002","8.445","0.0017","14.02","0.003","90","","92.9","0.03","90","","1263.9","0.4","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,14-Dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate)","","- C20 H42 Cl2 N4 O8 -","- C20 H42 Cl2 N4 O8 -","- C40 H84 Cl4 N8 O16 -","2","0.5","VM2247","Moon, Dohyun; Jeon, Sunghwan; Choi, Jong-Ha","Crystal structure of 3,14-dimethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane bis(perchlorate) from synchrotron X-ray data","Acta Crystallographica Section E","2021","77","5","551","554","10.1107/S2056989021004278","","","0.63","synchrotron","","0.0589","0.0553","","","0.1682","0.1719","","","","","","1.111","","","","has coordinates,has Fobs","264499","2021-04-24","05:00:35",""
"2243813","12.15369","0.00018","14.9466","0.0002","7.68691","0.00016","90","","91.7607","0.0016","90","","1395.72","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Amino-4-methylsulfanyl-6-oxo-1-(1-phenylethylideneamino)-1,6-dihydropyrimidine-5-carbonitrile","","- C14 H13 N5 O S -","- C14 H13 N5 O S -","- C56 H52 N20 O4 S4 -","4","1","JY2007","Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of (<i>E</i>)-2-amino-4-methylsulfanyl-6-oxo-1-(1-phenylethylideneamino)-1,6-dihydropyrimidine-5-carbonitrile and (<i>E</i>)-2-amino-4-methylsulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethylideneamino]-1,6-dihydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2021","77","5","547","550","10.1107/S2056989021004126","","","1.54184","CuKα","","0.0409","0.0395","","","0.1048","0.1059","","","","","","1.063","","","","has coordinates,has Fobs","264500","2021-04-24","05:01:15",""
"2243814","13.4774","0.0005","7.6797","0.0003","14.2755","0.0006","90","","112.401","0.005","90","","1366.05","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Amino-4-methylsulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethylideneamino]-1,6-dihydropyrimidine-5-carbonitrile","","- C13 H12 N6 O S -","- C13 H12 N6 O S -","- C52 H48 N24 O4 S4 -","4","1","JY2007","Mohamed-Ezzat, Reham A.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structures of (<i>E</i>)-2-amino-4-methylsulfanyl-6-oxo-1-(1-phenylethylideneamino)-1,6-dihydropyrimidine-5-carbonitrile and (<i>E</i>)-2-amino-4-methylsulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethylideneamino]-1,6-dihydropyrimidine-5-carbonitrile","Acta Crystallographica Section E","2021","77","5","547","550","10.1107/S2056989021004126","","","1.54184","CuKα","","0.0371","0.0361","","","0.0961","0.097","","","","","","1.066","","","","has coordinates,has Fobs","264500","2021-04-24","05:01:15",""
"2243815","14.5937","0.0006","11.4425","0.0005","13.5794","0.0005","90","","90","","90","","2267.6","0.16","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","{6,6'-Dimethoxy-2,2'-[(4-azaheptane-1,7-diyl)bis(nitrilomethanylidyne)]diphenolato}zinc(II) methanol monosolvate","","- C23 H31 N3 O5 Zn -","- C23 H31 N3 O5 Zn -","- C92 H124 N12 O20 Zn4 -","4","1","","Noor, Shabana; Suda, Shintaro; Haraguchi, Tomoyuki; Khatoon, Fehmeeda; Akitsu, Takashiro","Chiral crystallization of a zinc(II) complex","Acta Crystallographica Section E","2021","77","5","542","546","10.1107/S2056989021003650","","","0.71073","MoKα","","0.0539","0.035","","","0.0791","0.0865","","","","","","1.043","","","","has coordinates,has Fobs","264501","2021-04-24","05:01:47",""
"2243816","20.3883","0.0006","7.5925","0.0002","17.9858","0.0005","90","","95.791","0.001","90","","2769.96","0.13","293","2","293","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-4-(2-Methoxybenzylidene)-3-phenylisoxazol-5(4<i>H</i>)-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C136 H104 N8 O24 -","8","1","EX2043","Benouatas, Assia; Laroum, Rima; Hamdouni, Noudjoud; Zemamouche, Wissame; Debache, Abdelmadjid; Boudjada, Ali","Structural study and Hirshfeld surface analysis of (<i>Z</i>)-4-(2-methoxybenzylidene)-3-phenylisoxazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2021","77","5","564","568","10.1107/S2056989021004308","","","0.71073","MoKα","","0.1346","0.0566","","","0.0922","0.1012","","","","","","0.999","","","","has coordinates,has Fobs","264613","2021-04-28","05:14:45",""
"2243817","17.3256","0.0005","5.5662","0.0002","16.7244","0.0005","90","","97.433","0.001","90","","1599.31","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Decyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-one","","- C17 H26 N2 O -","- C17 H26 N2 O -","- C68 H104 N8 O4 -","4","1","WM5606","Ait Elmachkouri, Younesse; Saber, Asmaa; Irrou, Ezaddine; Amer, Bushra; Mague, Joel T.; Hökelek, Tuncer; Labd Taha, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-one","Acta Crystallographica Section E","2021","77","5","559","563","10.1107/S2056989021004291","","","1.54178","CuKα","","0.0432","0.0408","","","0.0983","0.1009","","","","","","1.084","","","","has coordinates,has Fobs","264614","2021-04-28","05:15:08",""
"2243818","6.904","0.0012","7.7212","0.0013","5.726","0.001","90","","101.196","0.005","90","","299.43","0.09","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","Dizinc(II) hydroxidodioxidotellurate(IV) oxidoarsenate(V)","","- As H O7 Te Zn2 -","- As H O7 Te Zn2 -","- As2 H2 O14 Te2 Zn4 -","2","0.5","PK2657","Eder, Felix; Weil, Matthias","Crystal structure of Zn~2~(HTeO~3~)(AsO~4~)","Acta Crystallographica Section E","2021","77","5","555","558","10.1107/S2056989021004333","","","0.71073","MoKα","","0.0206","0.0192","","","0.0396","0.0399","","","","","","0.921","","","","has coordinates,has Fobs","264615","2021-04-28","05:15:31",""
"2243819","8.2027","0.0016","8.4059","0.0017","13.465","0.003","78.58","0.03","75.69","0.03","63.94","0.03","803.9","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","tricarbonyltris(dimethyl sulfoxide)molybdenum","","- C9 H18 Mo O6 S3 -","- C9 H18 Mo O6 S3 -","- C18 H36 Mo2 O12 S6 -","2","1","ZQ2262","Elvers, Benedict J.; Fischer, Christian; Schulzke, Carola","Molecular structure of <i>fac</i>-[Mo(CO)~3~(DMSO)~3~]","Acta Crystallographica Section E","2021","77","5","583","587","10.1107/S2056989021004448","","","0.71073","MoKα","","0.0788","0.0533","","","0.1213","0.1345","","","","","","1.068","","","","has coordinates,has Fobs","264753","2021-05-01","05:55:54",""
"2243820","8.022","0.0016","10.02","0.002","10.354","0.002","81.36","0.03","72.84","0.03","69.71","0.03","744.8","0.3","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) dichloride tetrahydrate","","- C22 H56 Cl2 Cu N4 O6 -","- C22 H56 Cl2 Cu N4 O6 -","- C22 H56 Cl2 Cu N4 O6 -","1","0.5","WM5607","Moon, Dohyun; Choi, Jong-Ha","Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) dichloride tetrahydrate","Acta Crystallographica Section E","2021","77","5","569","572","10.1107/S2056989021004382","","","0.61","synchrotron","","0.039","0.0386","","","0.1081","0.1086","","","","","","1.097","","","","has coordinates,has Fobs","264754","2021-05-01","05:56:12",""
"2243821","18.9105","0.0006","15.7993","0.0005","21.5738","0.0007","90","","98.727","0.001","90","","6371","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","((<i>S</i>,<i>S</i>)-2,2'-{(1,2-diphenylethane-1,2-diyl)bis[(azaniumylylidene)methanylylidene]}bis(6-methoxyphenolato))trinitratosamarium(III)","","- C30 H28 N5 O13 Sm -","- C30 H28 N5 O13 Sm -","- C240 H224 N40 O104 Sm8 -","8","2","","Okumura, Yuta; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of ((<i>S</i>,<i>S</i>)-2,2'-{[(1,2-diphenylethane-1,2-diyl)bis[(azaniumylylidene)methanylylidene]}bis(6-methoxyphenolato))trinitratosamarium(III)","Acta Crystallographica Section E","2021","77","5","579","582","10.1107/S2056989021004424","","","0.71073","MoKα","","0.0429","0.0334","","","0.0989","0.1163","","","","","","0.834","","","","has coordinates,has Fobs","264755","2021-05-01","05:56:39",""
"2243822","7.4758","0.0003","7.6682","0.0006","14.801","0.0012","90","","90","","90","","848.48","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Superhydride","Potassium triethylhydridoborate","","- C6 H16 B K -","- C6 H16 B K -","- C24 H64 B4 K4 -","4","1","YZ2007","Fecker, Ann Christin; Freytag, Matthias; Walter, Marc D.; Jones, Peter G.","Crystal structure of potassium triethylhydridoborate (`superhydride')","Acta Crystallographica Section E","2021","77","6","592","595","10.1107/S2056989021004734","","","0.71073","MoKα","","0.0447","0.0357","","","0.0641","0.0678","","","","","","1.043","","","","has coordinates,has Fobs","265085","2021-05-11","04:49:19",""
"2243823","6.0777","0.0004","20.9211","0.0016","10.2574","0.0007","90","","102.476","0.003","90","","1273.45","0.16","296","2","296.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4-(Anthracen-9-yl)pyridine","","- C19 H13 N -","- C19 H13 N -","- C76 H52 N4 -","4","0.5","DX2036","Zhao, Meng; Zhang, Gang; Zhang, Jingmiao; Huang, Shan; Liu, Xiuxia; Li, Fei","Crystal structure of 4-(anthracen-9-yl)pyridine","Acta Crystallographica Section E","2021","77","6","605","608","10.1107/S2056989021004710","","","0.71073","MoKα","","0.0394","0.036","","","0.101","0.1047","","","","","","1.109","","","","has coordinates","265125","2021-05-12","04:39:36",""
"2243824","6.0036","0.0003","9.6432","0.0005","25.0966","0.0016","92.412","0.004","90.548","0.004","105.808","0.004","1396.42","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Poly[(μ-(<i>E</i>)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetato)(μ-(<i>E</i>)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetic acid)potassium]","Potassium hydrogen bis((<i>E</i>)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetate)","","- C30 H23 K O8 S2 -","- C30 H23 K O8 S2 -","- C60 H46 K2 O16 S4 -","2","1","EY2007","Vu Quoc, Trung; Phan Thuy, Linh; Do Ba, Dai; Tran Thi Thuy, Duong; Nguyen Ngoc, Linh; Nguyen Thuy, Chinh; Duong Khanh, Linh; Ha Manh, Hung; Thai, Hoang; Le Van, Khoe; Van Meervelt, Luc","Crystal structure of potassium hydrogen bis((<i>E</i>)-2-{4-[3-(thiophen-3-yl)acryloyl]phenoxy}acetate)","Acta Crystallographica Section E","2021","77","6","609","614","10.1107/S2056989021004801","","x-ray","0.71073","MoKα","","0.1102","0.0675","","","0.1793","0.2111","","","","","","1.023","","","","has coordinates,has Fobs","265126","2021-05-12","04:39:59",""
"2243825","5.5391","0.0001","5.7873","0.0002","16.0859","0.0004","90","","99.067","0.001","90","","509.21","0.02","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","<i>N</i>-[(<i>Z</i>)-(2-Hydroxyphenyl)methylidene]aniline <i>N</i>-oxide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C26 H22 N2 O4 -","2","1","EY2006","Mohamed, Shaaban K.; Said, Awad I.; Mague, Joel T.; Aly, Moustafa F.; Akkurt, Mehmet; Elgarhy, Sahar M. I.","Crystal structure and Hirshfeld surface analysis of <i>N</i>-[(<i>Z</i>)-(2-hydroxyphenyl)methylidene]aniline <i>N</i>-oxide","Acta Crystallographica Section E","2021","77","6","596","599","10.1107/S2056989021004813","","","1.54178","CuKα","","0.0343","0.0334","","","0.0829","0.084","","","","","","1.063","","","","has coordinates,has Fobs","265127","2021-05-12","04:40:22",""
"2243826","8.5517","0.001","18.781","0.002","13.1925","0.0014","90","","99.757","0.004","90","","2088.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,7-Diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine-6,6,8-tricarbonitrile methanol monosolvate","","- C23 H21 N5 O -","- C23 H21 N5 O -","- C92 H84 N20 O4 -","4","1","VM2248","Naghiyev, Farid N.; Mammadova, Gunay Z.; Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]pyridine-6,6,8-tricarbonitrile methanol monosolvate","Acta Crystallographica Section E","2021","77","6","600","604","10.1107/S2056989021004655","","x-ray","0.71073","MoKα","","0.0534","0.046","","","0.1154","0.1232","","","","","","1.025","","","","has coordinates,has Fobs","265128","2021-05-12","04:40:54",""
"2243827","7.1271","0.0003","8.9295","0.0003","19.2508","0.0007","90","","94.683","0.001","90","","1221.06","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Amino-5-methylphenyl)-2-(5-methyl-1<i>H</i>-pyrazol-3-yl)acetamide","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","DJ2025","Al Ati, Gamal; Chkirate, Karim; Mague, Joel T.; Abad, Nadeem; Achour, Redouane; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and DFT study of <i>N</i>-(2-amino-5-methylphenyl)-2-(5-methyl-1<i>H</i>-pyrazol-3-yl)acetamide","Acta Crystallographica Section E","2021","77","6","638","642","10.1107/S205698902100503X","","","0.71073","MoKα","","0.0707","0.0672","","","0.1626","0.1643","","","","","","1.226","","","","has coordinates,has disorder,has Fobs","265243","2021-05-15","04:48:30",""
"2243828","9.1398","0.0002","11.1525","0.0002","16.3795","0.0003","90","","97.081","0.002","90","","1656.85","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1<i>H</i>-pyrazol-1-yl)acetate","Ethyl 2-[3-amino-2-(4-methylbenzenesulfonyl)-5-oxo-2,5-dihydro-1<i>H</i>-pyrazol-1-yl]acetate","","- C14 H17 N3 O5 S -","- C14 H17 N3 O5 S -","- C56 H68 N12 O20 S4 -","4","1","ZL5011","Metwally, Nadia H.; Elgemeie, Galal H.; Jones, Peter G.","Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1<i>H</i>-pyrazol-1-yl)acetate","Acta Crystallographica Section E","2021","77","6","615","617","10.1107/S2056989021004795","","","0.71073","MoKα","","0.037","0.0313","","","0.0903","0.0937","","","","","","1.047","","","","has coordinates,has Fobs","265244","2021-05-15","04:48:59",""
"2243829","19.7361","0.0003","5.8779","0.0001","10.5749","0.0001","90","","90","","90","","1226.76","0.03","80","2","80.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba5 I2 O12 -","- Ba5 I2 O12 -","- Ba20 I8 O48 -","4","0.5","","Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud","Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K","Acta Crystallographica Section E","2021","77","6","634","637","10.1107/S2056989021004990","","","0.71073","MoKα","","0.0232","0.022","","","0.0426","0.043","","","","","","1.247","","","","has coordinates,has Fobs","265245","2021-05-15","04:49:26",""
"2243830","19.7568","0.0002","5.9003","0.0001","10.5869","0.0001","90","","90","","90","","1234.13","0.03","298","2","298.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Pentabarium bis(orthoperiodate)","","- Ba5 I2 O12 -","- Ba5 I2 O12 -","- Ba20 I8 O48 -","4","0.5","RU2075","Bi, David Wenhua; Baral, Priya Ranjan; Magrez, Arnaud","Ba~5~(IO~6~)~2~: crystal structure evolution from room temperature to 80K","Acta Crystallographica Section E","2021","77","6","634","637","10.1107/S2056989021004990","","","0.71073","MoKα","","0.0224","0.0207","","","0.0449","0.0456","","","","","","1.162","","","","has coordinates,has Fobs","265245","2021-05-15","04:49:26",""
"2243831","13.3366","0.0004","11.5467","0.0003","7.3078","0.0002","90","","103.553","0.001","90","","1094.02","0.05","90","0.2","90","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate","","- C6 H5 K2 N O8 S -","- C6 H5 K2 N O8 S -","- C24 H20 K8 N4 O32 S4 -","4","1","HB7975","Behrman, Edward J.; Parkin, Sean","Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate","Acta Crystallographica Section E","2021","77","6","623","628","10.1107/S2056989021004904","","","0.71073","MoKα","","0.0212","0.0204","","","0.0548","0.0555","","","","","","1.078","","","","has coordinates,has Fobs","265246","2021-05-15","04:50:03",""
"2243832","10.2045","0.0006","6.1282","0.0004","9.7293","0.0006","90","","90","","90","","608.42","0.07","90","0.2","90","0.2","","","","","","","","4","A e m 2","A 2 -2b","39","3,6-Dihydroxypicolinic acid","3-Hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid","","- C6 H5 N O4 -","- C6 H5 N O4 -","- C24 H20 N4 O16 -","4","0.5","HB7975","Behrman, Edward J.; Parkin, Sean","Synthesis and crystal structures of 3,6-dihydroxypicolinic acid and its labile intermediate dipotassium 3-hydroxy-6-(sulfonatooxy)pyridine-2-carboxylate monohydrate","Acta Crystallographica Section E","2021","77","6","623","628","10.1107/S2056989021004904","","","1.54178","CuKα","","0.0246","0.0243","","","0.0669","0.0675","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","265246","2021-05-15","04:50:04",""
"2243833","14.3057","0.0013","9.6392","0.0007","16.3024","0.0013","90","","108.977","0.003","90","","2125.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Hexyloxyphenyl)-1<i>H</i>-benzimidazole","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","1","MW2176","Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I.","Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles","Acta Crystallographica Section E","2021","77","6","618","622","10.1107/S2056989021004898","","x-ray","0.71073","MoKα","","0.068","0.0454","","","0.1061","0.1162","","","","","","1.032","","","","has coordinates,has Fobs","265247","2021-05-15","04:51:00",""
"2243834","9.0089","0.0003","16.6539","0.0005","13.84","0.0005","90","","101.419","0.001","90","","2035.36","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Hexyloxyphenyl)-1-phenyl-1<i>H</i>-benzimidazole","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I.","Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles","Acta Crystallographica Section E","2021","77","6","618","622","10.1107/S2056989021004898","","x-ray","0.71073","MoKα","","0.0733","0.0471","","","0.1082","0.1192","","","","","","1.028","","","","has coordinates,has Fobs","265247","2021-05-15","04:51:00",""
"2243835","9.3802","0.0013","9.4076","0.0013","37.235","0.005","90","","90","","90","","3285.8","0.8","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-2-(4-hexyloxyphenyl)-1<i>H</i>-benzimidazole","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C152 H176 N16 O8 -","8","1","","Smirnov, Daniil E.; Tatarin, Sergei V.; Bezzubov, Stanislav I.","Synthesis and crystal structures of <i>N</i>-H, <i>N</i>-phenyl and <i>N</i>-benzyl-2-(4-hexyloxyphenyl)benzimidazoles","Acta Crystallographica Section E","2021","77","6","618","622","10.1107/S2056989021004898","","x-ray","0.71073","MoKα","","0.125","0.0988","","","0.2222","0.2332","","","","","","1.168","","","","has coordinates,has Fobs","265247","2021-05-15","04:51:00",""
"2243836","9.291","0.0013","15.682","0.002","17.275","0.002","90","","95.642","0.002","90","","2504.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-5-ium) tetrachloridozincate","","- C24 H30 Cl4 N4 Zn -","- C24 H30 Cl4 N4 Zn -","- C96 H120 Cl16 N16 Zn4 -","4","1","JQ2006","Tojiboev, Akmaljon; Okmanov, Rasul; Englert, Ulli; Wang, Ruimin; Pan, Fangfang; Turgunov, Kambarali; Tashkhodjaev, Bakhodir","Crystal structure and Hirshfeld surface analysis of bis(6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-<i>b</i>]quinazolin-5-ium) tetrachloridozincate","Acta Crystallographica Section E","2021","77","6","629","633","10.1107/S2056989021004989","","","0.71073","MoKα","","0.0772","0.0473","","","0.1087","0.1236","","","","","","1.04","","","","has coordinates,has Fobs","265248","2021-05-15","04:51:44",""
"2243837","8.3872","0.0006","12.1039","0.0006","18.1504","0.0012","90","","95.646","0.003","90","","1833.7","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","μ-Methylene-bis[dibromido(diethyl ether-κ<i>O</i>)aluminium(III)]","","- C9 H22 Al2 Br4 O2 -","- C9 H22 Al2 Br4 O2 -","- C36 H88 Al8 Br16 O8 -","4","0.5","JQ2003","Butcher, Ray J.; Purdy, Andrew P.","μ-Methylene-bis[dibromido(diethyl ether-κ<i>O</i>)aluminium(III)]: crystal structure and chemical exchange in solution","Acta Crystallographica Section E","2021","77","6","647","652","10.1107/S2056989021005302","","","0.71073","MoKα","","0.0396","0.0305","","","0.0723","0.0759","","","","","","1.073","","","","has coordinates,has Fobs","265452","2021-05-22","05:04:56",""
"2243838","5.3518","0.0006","11.6989","0.0014","13.3527","0.0016","64.019","0.002","80.323","0.002","76.952","0.002","729.83","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-(2-Oxo-3-phenyl-1,2,3,8a-tetrahydroquinoxalin-1-yl)ethyl acetate","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C36 H32 N4 O6 -","2","1","VM2249","Abad, Nadeem; El Ghayati, Lhoussaine; Kalonji Mubengayi, Camille; Essassi, El Mokhtar; Kaya, Savaş; Mague, Joel T.; Ramli, Youssef","Crystal structure and Hirshfeld surface analysis of 2-(2-oxo-3-phenyl-1,2,3,8a-tetrahydroquinoxalin-1-yl)ethyl acetate","Acta Crystallographica Section E","2021","77","6","643","646","10.1107/S2056989021005247","","","0.71073","MoKα","","0.0619","0.0489","","","0.1355","0.142","","","","","","1.004","","","","has coordinates,has Fobs","265453","2021-05-22","05:05:19",""
"2243839","7.4089","0.0006","11.4544","0.0014","21.9491","0.0017","90","","97.814","0.006","90","","1845.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-{[(<i>E</i>)-2-Hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","YK2152","Kansiz, Sevgi; Tatlidil, Digdem; Dege, Necmi; Aktas, Feyzi Alkim; Al-Asbahy, Samir Osman Mohammed; Alaman Agar, Aysen","Crystal structure and molecular docking study of (<i>E</i>)-2-{[(<i>E</i>)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one","Acta Crystallographica Section E","2021","77","6","658","662","10.1107/S2056989021005442","","","0.71073","MoKα","","0.13","0.0847","","","0.2593","0.2869","","","","","","1.114","","","","has coordinates,has Fobs","265608","2021-05-29","05:14:07",""
"2243840","8.4506","0.0016","23.112","0.005","13.601","0.003","90","","99.021","0.003","90","","2623.6","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{[7-Acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-<i>N</i>-phenylacetamide","","- C29 H29 N3 O4 S -","- C29 H29 N3 O4 S -","- C116 H116 N12 O16 S4 -","4","1","YK2151","Sayed, Eman M.; Hassanien, Reda; Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Farhan, Nasser; Bakhite, Etify A.; Al-Waleedy, Safiyyah A. H.","Crystal structure and Hirshfeld surface analysis of 2-{[7-acetyl-4-cyano-6-hydroxy-8-(4-methoxyphenyl)-1,6-dimethyl-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-<i>N</i>-phenylacetamide","Acta Crystallographica Section E","2021","77","6","663","667","10.1107/S2056989021005430","","","0.71073","MoKα","","0.053","0.0433","","","0.1214","0.1262","","","","","","1.102","","","","has coordinates,has Fobs","265609","2021-05-29","05:14:34",""
"2243841","32.83","0.004","4.4049","0.0005","18.844","0.002","90","","90.13","0.003","90","","2725.1","0.5","173.15","","173.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","1-[(<i>E</i>)-2-(5-Chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C128 H88 Cl8 N16 O16 -","8","2","ZN2007","Bougueria, Hassiba; Chetioui, Souheyla; Bensegueni, Mohammed Abdellatif; Djukic, Jean-Pierre; Benarous, Nesrine","Crystal structure and Hirshfeld surface analysis of 1-[(<i>E</i>)-2-(5-chloro-2-hydroxyphenyl)hydrazin-1-ylidene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2021","77","6","672","676","10.1107/S2056989021005491","","","0.71073","MoKα","","0.0769","0.0456","","","0.0745","0.0818","","","","","","0.966","","","","has coordinates,has Fobs","265610","2021-05-29","05:14:58",""
"2243842","6.1313","0.0002","7.371","0.0002","38.1143","0.0011","90","","90","","90","","1722.53","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>,<i>N</i>-Diisopropyl(<i>p</i>-phenylphenyl)glyoxylamide","2-([1,1'-Biphenyl]-4-yl)-2-oxo-<i>N</i>,<i>N</i>-bis(propan-2-yl)acetamide","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","DJ2024","Miyamoto, Hisakazu; Takahashi, Hiroki","Crystal structure and photoreactive behaviour of <i>N</i>,<i>N</i>-diisopropyl(<i>p</i>-phenylphenyl)glyoxylamide","Acta Crystallographica Section E","2021","77","6","653","657","10.1107/S2056989021005387","","","0.71073","MoKα","","0.0399","0.0361","","","0.0787","0.0803","","","","","","1.045","","","","has coordinates,has Fobs","265611","2021-05-29","05:15:27",""
"2243843","10.3302","0.0002","19.5926","0.0005","13.1516","0.0003","90","","101.004","0.001","90","","2612.88","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis[μ~2~-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olato]tetrakis(μ~3~-2-methylpropan-2-olato)octacopper(I)","","- C32 H36 Cu8 F36 O8 -","- C32 H36 Cu8 F36 O8 -","- C64 H72 Cu16 F72 O16 -","2","0.5","ZN2004","Purdy, Andrew P.; Butcher, Ray J.","Tetrakis[μ~2~-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-olato]tetrakis(μ~3~-2-methylpropan-2-olato)octacopper(I)","Acta Crystallographica Section E","2021","77","6","668","671","10.1107/S2056989021005429","","","0.71073","MoKα","","0.0609","0.0398","","","0.092","0.1027","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","265612","2021-05-29","05:15:52",""
"2243844","8.08","0.0016","10.38","0.002","17.511","0.004","97.02","0.03","92.91","0.03","111.31","0.03","1350.8","0.6","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","Diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) tetrabromide dihydrate","","- C22 H48 Br2 Cu N4 O2 -","- C22 H48 Br2 Cu N4 O2 -","- C44 H96 Br4 Cu2 N8 O4 -","2","1","WM5611","Moon, Dohyun; Jeon, Sunghwan; Lim, Woo Taik; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of diaqua(3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) (3,14-diethyl-2,6,13,17-tetraazatricyclo[16.4.0.0^7,12^]docosane)copper(II) tetrabromide dihydrate, [Cu(C~22~H~44~N~4~)(H~2~O)~2~][Cu(C~22~H~44~N~4~)]Br~4~·2H~2~O","Acta Crystallographica Section E","2021","77","6","677","680","10.1107/S205698902100551X","","","0.61","synchrotron","","0.0721","0.0561","","","0.1655","0.1762","","","","","","1.105","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2243845","12.0622","0.0003","9.2715","0.0002","13.814","0.0004","90","","92.306","0.002","90","","1543.63","0.07","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","Cholesteryl heptanoate","Cholesteryl heptanoate","","- C34 H58 O2 -","- C34 H58 O2 -","- C68 H116 O4 -","2","1","MW2174","Akduran, Nurcan; Karakurt, Tuncay; Hökelek, Tuncer","Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate","Acta Crystallographica Section E","2021","77","7","686","691","10.1107/S2056989021005661","","","0.71073","MoKα","","0.0526","0.0458","","","0.1128","0.1175","","","","","","1.026","","","","has coordinates,has Fobs","265825","2021-06-05","05:26:39",""
"2243846","17.947","0.002","4.5907","0.0005","41.305","0.004","90","","91.016","0.008","90","","3402.6","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 1-methyl-2-[4-(prop-2-yn-1-oxy)phenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","WM5604","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","The crystal structures of three disordered 2-substituted benzimidazole esters","Acta Crystallographica Section E","2021","77","5","473","479","10.1107/S2056989021003364","","","0.71073","MoKα","","0.1145","0.0676","","","0.1674","0.1872","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","266199","2021-06-06","15:45:52",""
"2243847","18.467","0.002","8.686","0.0008","14.242","0.001","90","","95.359","0.007","90","","2274.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 1-propyl-2-(pyren-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","WM5604","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","The crystal structures of three disordered 2-substituted benzimidazole esters","Acta Crystallographica Section E","2021","77","5","473","479","10.1107/S2056989021003364","","","0.71073","MoKα","","0.1053","0.052","","","0.1233","0.1474","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","266199","2021-06-06","15:45:58",""
"2243848","11.1095","0.0004","9.5126","0.0004","18.6747","0.0008","90","","95.079","0.004","90","","1965.8","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 1-methyl-2-(5-chloro-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C21 H19 Cl N4 O2 -","- C21 H19 Cl N4 O2 -","- C84 H76 Cl4 N16 O8 -","4","1","WM5604","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher","The crystal structures of three disordered 2-substituted benzimidazole esters","Acta Crystallographica Section E","2021","77","5","473","479","10.1107/S2056989021003364","","","0.71073","MoKα","","0.0548","0.0395","","","0.1005","0.1092","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","266199","2021-06-06","15:45:59",""
"2243849","7.0588","0.0002","7.4008","0.0002","21.5265","0.0004","90","","90","","90","","1124.56","0.05","100","0.3","100","0.3","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione","","- C14 H6 F4 O2 -","- C14 H6 F4 O2 -","- C56 H24 F16 O8 -","4","0.5","YK2148","Brown, Loren C.; Balaich, Gary J.","Crystal structure of 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione","Acta Crystallographica Section E","2021","77","7","700","702","10.1107/S2056989021005363","","x-ray","0.71073","MoKα","","0.0393","0.0322","","","0.0804","0.0851","","","","","","1.034","","","","has coordinates,has Fobs","266286","2021-06-09","05:19:06",""
"2243850","6.9762","0.0012","22.806","0.004","8.0394","0.0013","90","","90.948","0.004","90","","1278.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ethylenediammonium hexachloridostannate(IV) <i>p</i>-anisaldehyde disolvate","Ethane-1,2-diaminium hexachloridostannate(IV)‒4-methoxybenzaldehyde (1/2)","","- C18 H26 Cl6 N2 O4 Sn -","- C18 H26 Cl6 N2 O4 Sn -","- C36 H52 Cl12 N4 O8 Sn2 -","2","0.5","CQ2042","Ndiolene, Adrienne; Diop, Tidiane; Boye, Mouhamadou Sembène; Diasse-Sarr, Aminata; Englert, Ulli","A new organic‒inorganic compound, ethylenediammonium hexachloridostannate(IV) <i>p</i>-anisaldehyde disolvate","Acta Crystallographica Section E","2021","77","7","696","699","10.1107/S205698902100579X","","","0.71073","MoKα","","0.0774","0.0616","","","0.1521","0.1639","","","","","","1.065","","","","has coordinates,has Fobs","266287","2021-06-09","05:19:33",""
"2243851","6.0767","0.001","6.1886","0.0011","11.727","0.002","97.512","0.006","100.345","0.006","99.437","0.006","422.1","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Formamidinium triiodide","","- C H5 I3 N2 -","- C H5 I3 N2 -","- C2 H10 I6 N4 -","2","1","DX2037","Ordinartsev, Artem A.; Petrov, Andrey A.; Lyssenko, Konstantin A.; Petrov, Andrey V.; Goodilin, Eugene A.; Tarasov, Alexey B.","Crystal structure of new formamidinium triiodide jointly refined by single-crystal XRD, Raman scattering spectroscopy and DFT assessment of hydrogen-bond network features","Acta Crystallographica Section E","2021","77","7","692","695","10.1107/S2056989021005673","","","0.71073","MoKα","","0.1522","0.0844","","","0.1674","0.2004","","","","","","0.979","","","","has coordinates,has Fobs","266288","2021-06-09","05:19:58",""
"2243852","13.6406","0.0005","14.0568","0.0005","18.5907","0.0007","83.626","0.003","86.186","0.003","72.288","0.003","3372.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H80 Cu6 N8 O21 -","- C63 H80 Cu6 N8 O21 -","- C126 H160 Cu12 N16 O42 -","2","1","EX2045","Kébé, Momath; Thiam, Ibrahima Elhadji; Sow, Mouhamadou Moustapha; Diouf, Ousmane; Barry, Aliou Hamady; Sall, Abdou Salam; Retailleau, Pascal; Gaye, Mohamed","Hexanuclear copper(II) complex of 2-hydroxy-<i>N</i>,<i>N</i>'-bis[1-(2-hydroxyphenyl)ethylidene]propane-1,3-diamine incorporating an open-cubane core","Acta Crystallographica Section E","2021","77","7","708","713","10.1107/S2056989021005570","","","0.71073","MoKα","","0.0395","0.033","","","0.087","0.0911","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","266412","2021-06-12","04:49:54",""
"2243853","8.1516","0.0002","19.1921","0.0006","11.4288","0.0003","90","","99.295","0.002","90","","1764.52","0.08","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[(<i>N</i>-methyldiethanolamine-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')strontium(II)]-di-μ~2~-isobutyrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;κ^3^<i>O</i>:<i>O</i>,<i>O</i>']","","- C13 H27 N O6 Sr -","- C13 H27 N O6 Sr -","- C52 H108 N4 O24 Sr4 -","4","1","DJ2022","Seiss, Maximilian; Schmitz, Sebastian; Börner, Martin; Monakhov, Kirill Yu.","Synthesis and crystal structure of a one-dimensional chain-like strontium(II) coordination polymer built of <i>N</i>-methyldiethanolamine and isobutyrate ligands","Acta Crystallographica Section E","2021","77","7","703","707","10.1107/S2056989021005594","","x-ray","1.54186","CuKα","","0.021","0.0181","","","0.0455","0.0464","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","266413","2021-06-12","04:50:20",""
"2243854","13.3368","0.0008","6.8727","0.0004","13.6015","0.001","90","","103.478","0.007","90","","1212.38","0.14","279","2","279","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(3-amino-1,2,4-triazole)(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)cobalt(II)]","","- C11 H8 Co N6 O4 -","- C11 H8 Co N6 O4 -","- C44 H32 Co4 N24 O16 -","4","1","DJ2027","Zhao, Chen; Li, Yi; Xiao, Jin-Sheng; Zhang, Peng-Dan; Wu, Xue-Qian; Chen, Qiang","Synthesis and crystal structure of poly[(3-amino-1,2,4-triazole)(μ~3~-1<i>H</i>-benzimidazole-5,6-dicarboxylato)cobalt(II)]","Acta Crystallographica Section E","2021","77","7","714","717","10.1107/S2056989021005867","","","0.71073","MoKα","","0.0712","0.0468","","","0.0862","0.0978","","","","","","1.027","","","","has coordinates,has Fobs","266481","2021-06-16","04:40:38",""
"2243855","8.0218","0.0002","10.2278","0.0003","10.6714","0.0003","98.8503","0.0007","108.005","0.0007","96.3852","0.0006","810.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6'-amino-2'-(chloromethyl)-5'-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4'-pyran]-3'-carboxylate","","- C17 H14 Cl N3 O4 -","- C17 H14 Cl N3 O4 -","- C34 H28 Cl2 N6 O8 -","2","1","VM2250","Naghiyev, Farid N.; Grishina, Maria M.; Khrustalev, Victor N.; Akkurt, Mehmet; Huseynova, Afet T.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of ethyl 6'-amino-2'-(chloromethyl)-5'-cyano-2-oxo-1,2-dihydrospiro[indoline-3,4'-pyran]-3'-carboxylate","Acta Crystallographica Section E","2021","77","7","739","743","10.1107/S2056989021006459","","","0.71073","MoKα","","0.0612","0.0444","","","0.0955","0.1064","","","","","","1.033","","","","has coordinates,has Fobs","266715","2021-06-26","05:53:13",""
"2243856","6.8076","0.0003","9.7078","0.0004","10.1579","0.0004","75.804","0.002","89.845","0.002","89.594","0.002","650.79","0.05","115","0.1","115","0.1","","","","","","","","5","P -1","-P 1","2","","Poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)]","","- C8 H16 Br2 Cu2 S2 -","- C8 H16 Br2 Cu2 S2 -","- C16 H32 Br4 Cu4 S4 -","2","1","YZ2008","Knorr, Michael; Viau, Lydie; Rousselin, Yoann; Kubicki, Marek M.","Crystal structure of the two-dimensional coordination polymer poly[di-μ-bromido-bis(μ-tetrahydrothiophene)dicopper(I)]","Acta Crystallographica Section E","2021","77","7","744","748","10.1107/S2056989021006460","","x-ray","0.71073","MoKα~1~","","0.0333","0.0298","","","0.0729","0.0754","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","266716","2021-06-26","05:53:38",""
"2243857","10.7365","0.0004","9.759","0.0003","18.56","0.0007","90","","90.066","0.001","90","","1944.67","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]pyridin-2-yl}sulfanyl)acetate","","- C21 H20 N2 O3 S -","- C21 H20 N2 O3 S -","- C84 H80 N8 O12 S4 -","4","1","WM5610","Al-Waleedy, Safiyyah A. H.; Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Abbady, Mohamed S.; Bakhite, Etify A.","Crystal structure and Hirshfeld surface analysis of ethyl 2-({5-acetyl-3-cyano-6-methyl-4-[(<i>E</i>)-2-phenylethenyl]pyridin-2-yl}sulfanyl)acetate","Acta Crystallographica Section E","2021","77","7","730","733","10.1107/S2056989021005600","","","1.54178","CuKα","","0.0379","0.0334","","","0.0844","0.0882","","","","","","1.041","","","","has coordinates,has Fobs","266717","2021-06-26","05:54:02",""
"2243858","15.2354","0.0008","8.3683","0.0003","12.8372","0.0006","90","","99.205","0.005","90","","1615.59","0.13","120","2","120","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","bis(2-methylpyridinium) tetrachlorocuprate(II)","Bis(2-methylpyridinium) tetrachloridocuprate(II)","","- C12 H16 Cl4 Cu N2 -","- C12 H16 Cl4 Cu N2 -","- C48 H64 Cl16 Cu4 N8 -","4","0.5","DJ2020","Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha","Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2021","77","7","726","729","10.1107/S2056989021006277","","","0.71073","MoKα","","0.0492","0.0355","","","0.0742","0.0809","","","","","","1.078","","","","has coordinates,has Fobs","266718","2021-06-26","05:54:38",""
"2243859","6.569","0.0008","12.7956","0.0015","14.1278","0.0016","90","","90","","90","","1187.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzoic acid","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","EX2044","Ali, Arif; Muslim, Mohd; Kamaal, Saima; Ahmed, Adeeba; Ahmad, Musheer; Shahid, M.; Khan, Jamal A.; Dege, Necmi; Javed, Saleem; Mashrai, Ashraf","Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section E","2021","77","7","755","758","10.1107/S2056989021006435","","","0.71073","MoKα","","0.0609","0.044","","","0.0819","0.091","","","","","","1.0907","","","","has coordinates,has Fobs","266840","2021-07-01","05:11:04",""
"2243860","24.2097","0.0011","12.6311","0.0006","10.4022","0.0005","90","","113.133","0.002","90","","2925.2","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.224-hydrate","","- C14 H12.448 N4 O7.224 -","- C14 H12 N4 O7.224 -","- C112 H96 N32 O57.792 -","8","1","YK2153","Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Huseynov, Fatali E.; Hajiyeva, Sevinj R.; Shamilov, Nazim T.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of dimethyl 5-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1,3-dicarboxylate 0.224-hydrate","Acta Crystallographica Section E","2021","77","7","759","764","10.1107/S2056989021006563","","","0.71073","MoKα","","0.0371","0.034","","","0.0981","0.1022","","","","","","1.041","","","","has coordinates,has Fobs","266841","2021-07-01","05:11:35",""
"2243861","12.6027","0.0004","17.7075","0.0006","23.0252","0.0009","90","","101.914","0.001","90","","5027.7","0.3","296","2","296","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(η^5^-cyclopentadienyl)bis(3,5,7-triazaphosphaadamantane-κ<i>P</i>)ruthenium(II)] tetrabromido(ethanol/methanol-κ<i>O</i>)nitrosylrhenate(II)","","- C73 H126 Br8 N28 O4 P8 Re2 Ru4 -","- C73 H126 Br8 N28 O4 P8 Re2 Ru4 -","- C146 H252 Br16 N56 O8 P16 Re4 Ru8 -","2","0.5","EX2046","Pacheco, Mario; Alvarez, Natalia; Cuevas, Alicia; Romerosa, Antonio; Lloret, Francesc; Kremer, Carlos","Crystal structure and magnetic study of the complex salt [RuCp(PTA)~2~‒μ-CN-1κ<i>C</i>:2κ<i>N</i>‒RuCp(PTA)~2~][Re(NO)Br~4~(EtOH)~0.5~(MeOH)~0.5~]","Acta Crystallographica Section E","2021","77","7","749","754","10.1107/S2056989021006381","","","0.71073","MoKα","","0.0706","0.0438","","","0.1021","0.1184","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","266842","2021-07-01","05:12:05",""
"2243862","10.6886","0.0005","11.4878","0.0005","11.8389","0.0006","76.007","0.001","65.584","0.001","63.213","0.001","1178.87","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diethyl 2,2-dioxo-4-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1,3-dicarboxylate","","- C22 H28 N O6 S3 -","- C22 H28 N O6 S3 -","- C44 H56 N2 O12 S6 -","2","1","JY2008","Sribala, R.; Srinivasan, N.; Rajalaksmi, P.; Indumathi, S.; Krishnakumar, R.V.","Crystal structure and Hirshfeld surface analysis of a pyrrolo-thiazine complex","Acta Crystallographica Section E","2021","77","8","770","774","10.1107/S2056989021006642","","","0.71073","MoKα","","0.0509","0.0439","","","0.1271","0.1342","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","266935","2021-07-03","05:04:42",""
"2243863","7.7426","0.0007","10.429","0.001","10.934","0.001","85.51","0.01","76.92","0.01","81.04","0.01","848.64","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(2-chlorobenzylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C30 H26 Cl4 N6 O6 S2 -","2","1","MW2177","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>N</i>-acylhydrazone isomers","Acta Crystallographica Section E","2021","77","8","780","784","10.1107/S2056989021006885","","","0.71073","MoKα","","0.0788","0.046","","","0.0883","0.1023","","","","","","1.041","","","","has coordinates,has Fobs","267456","2021-07-10","04:41:06",""
"2243864","9.491","0.001","9.976","0.001","10.446","0.001","67.22","0.01","66.8","0.01","86.32","0.01","833.59","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(3-chlorobenzylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C30 H26 Cl4 N6 O6 S2 -","2","1","MW2177","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>N</i>-acylhydrazone isomers","Acta Crystallographica Section E","2021","77","8","780","784","10.1107/S2056989021006885","","","0.71073","MoKα","","0.0731","0.0535","","","0.0979","0.1078","","","","","","1.216","","","","has coordinates,has Fobs","267456","2021-07-10","04:41:07",""
"2243865","6.7234","0.0009","10.281","0.001","13.611","0.002","74.98","0.01","87.11","0.01","75.34","0.01","879","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-4-Chloro-<i>N</i>-{2-[2-(4-chlorobenzylidene)hydrazinyl]-2-oxoethyl}benzenesulfonamide","","- C15 H13 Cl2 N3 O3 S -","- C15 H13 Cl2 N3 O3 S -","- C30 H26 Cl4 N6 O6 S2 -","2","1","MW2177","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Crystal structures of three <i>N</i>-acylhydrazone isomers","Acta Crystallographica Section E","2021","77","8","780","784","10.1107/S2056989021006885","","","0.71073","MoKα","","0.0731","0.048","","","0.1059","0.1198","","","","","","1.035","","","","has coordinates,has Fobs","267456","2021-07-10","04:41:07",""
"2243866","8.9549","0.0003","10.5908","0.0004","16.6043","0.0006","90","","103.499","0.001","90","","1531.24","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>,4<i>S</i>,7<i>S</i>,7a<i>S</i>)-4,5,6,7,8,8-Hexachloro-2-{6-[(3a<i>R</i>,4<i>R</i>,7<i>R</i>,7a<i>S</i>)-4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-4,7-methanoisoindol-2-yl]hexyl}-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione","","- C24 H16 Cl12 N2 O4 -","- C24 H16 Cl12 N2 O4 -","- C48 H32 Cl24 N4 O8 -","2","0.5","VM2251","Alikhanova, Aygun I.; Atioğlu, Zeliha; Akkurt, Mehmet; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of (3a<i>R</i>,4<i>S</i>,7<i>S</i>,7a<i>S</i>)-4,5,6,7,8,8-hexachloro-2-{6-[(3a<i>R</i>,4<i>R</i>,7<i>R</i>,7a<i>S</i>)-4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2<i>H</i>-4,7-methanoisoindol-2-yl]hexyl}-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-methanoisoindole-1,3(2<i>H</i>)-dione","Acta Crystallographica Section E","2021","77","8","775","779","10.1107/S2056989021006952","","","0.71073","MoKα","","0.0232","0.0207","","","0.0514","0.0529","","","","","","1.04","","","","has coordinates,has Fobs","267457","2021-07-10","04:41:30",""
"2243867","10.6249","0.0007","15.5774","0.0012","17.0925","0.001","90","","96.707","0.005","90","","2809.6","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Diaquatetranitratobis(octaethyl pyrophosphoramide)dicalcium(II)","Di-μ-nitrato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>;<i>O</i>:<i>O</i>,<i>O</i>'-bis(μ-octaethyl pyrophosphoramide-κ^2^<i>O</i>:<i>O</i>')bis[aquabis(nitrato-κ^2^<i>O</i>,<i>O</i>')calcium(II)]","","- C32 H84 Ca2 N12 O20 P4 -","- C32 H84 Ca2 N12 O20 P4 -","- C64 H168 Ca4 N24 O40 P8 -","2","0.5","CQ2040","Micallef, Duncan; Baisch, Ulrich","Di-μ-nitrato-bis(μ-octaethyl pyrophosphoramide)bis[aquadinitratocalcium(II)]","Acta Crystallographica Section E","2021","77","8","795","798","10.1107/S205698902100699X","","x-ray","1.54186","CuKα","","0.0418","0.0387","","","0.1114","0.1135","","","","","","1.055","","","","has coordinates,has Fobs","267524","2021-07-14","04:57:31",""
"2243868","18.4574","0.0008","5.702","0.0002","14.8058","0.0006","90","","113.468","0.001","90","","1429.33","0.1","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-oxo-2-phenylethyl diisopropylcarbamate","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","ZL5014","Martens, Viktor; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 2-oxo-2-phenylethyl diisopropylcarbamate","Acta Crystallographica Section E","2021","77","8","785","787","10.1107/S2056989021006927","","","0.71073","MoKα","","0.0718","0.0494","","","0.1046","0.1131","","","","","","1.041","","","","has coordinates,has Fobs","267525","2021-07-14","04:57:57",""
"2243869","8.0605","0.0006","9.5635","0.0006","11.4397","0.0006","70.578","0.005","82.671","0.005","68.723","0.006","774.95","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","1-{(<i>E</i>)-[4-(4-Hydroxyphenyl)butan-2-ylidene]amino}-3-phenylthiourea","","- C17 H19 N3 O S -","- C17 H19 N3 O S -","- C34 H38 N6 O2 S2 -","2","1","HB7978","Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T.","1-{(<i>E</i>)-[4-(4-Hydroxyphenyl)butan-2-ylidene]amino}-3-phenylthiourea: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2021","77","8","788","794","10.1107/S2056989021006666","","","1.5418","CuKα","","0.043","0.0391","","","0.1049","0.1085","","","","","","1.033","","","","has coordinates,has Fobs","267526","2021-07-14","04:58:24",""
"2243870","28.29","0.005","3.9052","0.0007","20.264","0.003","90","","105.817","0.002","90","","2154","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9H-carbazole","1-Hydroxy-8-methyl-9<i>H</i>-carbazole-2-carbaldehyde","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","2","YY2001","Thiruvalluvar, Aravazhi Amalan; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M.","Synthesis and crystal structure of 1-hydroxy-8-methyl-9<i>H</i>-carbazole-2-carbaldehyde","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007210","","","0.71073","MoKα","","0.0693","0.0551","","","0.1334","0.1463","","","","","","1.178","","","","has coordinates,has Fobs","267616","2021-07-17","06:18:47",""
"2243871","7.3633","0.0015","15.952","0.003","12.657","0.003","90","","94.14","0.03","90","","1482.8","0.5","290","1","290","1","","","","","","","","4","P 1 21 1","P 2yb","4","Physangulide B chloroform solvate","(17<i>S</i>,20<i>R</i>,22<i>R</i>,24<i>R</i>,25<i>S</i>)-5β,6β:20,24-Diepoxy-4β,25-dihydroxy-1-oxowith-2-en-26,22-olide chloroform solvate","","- C29 H39 Cl3 O7 -","- C29 H39 Cl3 O7 -","- C58 H78 Cl6 O14 -","2","1","","Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B.","Withanolides from <i>Physalis angulata</i> L.","Acta Crystallographica Section E","2021","77","8","804","808","10.1107/S205698902100709X","","","1.54184","CuKα","","0.0423","0.0416","","","0.1127","0.1134","","","","","","1.04","","","","has coordinates,has Fobs","267666","2021-07-21","05:22:49",""
"2243872","6.2374","0.0012","9.5938","0.0019","11.351","0.002","112.81","0.03","96.49","0.03","93.13","0.03","618.5","0.3","290","2","290","1","","","","","","","","3","P 1","P 1","1","14a-hydroxyixocarpanolide","(20<i>R</i>,22<i>R</i>)-5α,14α,20-Trihydroxy-1-oxo-6α,7α-epoxywitha-2-enolide","","- C28 H40 O7 -","- C28 H40 O7 -","- C28 H40 O7 -","1","1","","Okmanov, R. Ya.; Makhmudova, M. M.; Bobaev, I. D.; Tashkhodjaev, B.","Withanolides from <i>Physalis angulata</i> L.","Acta Crystallographica Section E","2021","77","8","804","808","10.1107/S205698902100709X","","","1.54184","CuKα","","0.0454","0.0405","","","0.1035","0.1097","","","","","","1.035","","","","has coordinates,has Fobs","267666","2021-07-21","05:22:49",""
"2243873","16.0289","0.001","13.1213","0.0008","11.1286","0.0007","90","","108.073","0.002","90","","2225.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3-Bis{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzene","(<i>E</i>)-[2,2-Dichloro-1-(3-{2,2-dichloro-1-[(<i>E</i>)-2-phenyldiazen-1-yl]ethenyl}phenyl)ethenyl](phenyl)diazene","","- C22 H14 Cl4 N4 -","- C22 H14 Cl4 N4 -","- C88 H56 Cl16 N16 -","4","1","YK2154","Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Ahmadova, Nigar E.; Askerov, Rizvan K.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 1,3-bis{2,2-dichloro-1-[(<i>E</i>)-phenyldiazenyl]ethenyl}benzene","Acta Crystallographica Section E","2021","77","8","814","818","10.1107/S2056989021007192","","","0.71073","MoKα","","0.0702","0.0464","","","0.101","0.1117","","","","","","1.006","","","","has coordinates,has Fobs","267667","2021-07-21","05:23:17",""
"2243874","6.4201","0.0002","17.6239","0.0007","20.8997","0.0008","90","","90","","90","","2364.74","0.15","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-{2-[(8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-2-oxoethyl} 2,2-dimethylpropanethioate","","- C26 H38 O5 S -","- C26 H38 O5 S -","- C104 H152 O20 S4 -","4","1","","Rousselin, Yoann; Yolka, Sylvie; Clavel, Alexandre","Crystal structures of two polymorphs of tixocortol pivalate","Acta Crystallographica Section E","2021","77","8","809","813","10.1107/S2056989021007167","","x-ray","0.71073","MoKα","","0.0298","0.0275","","","0.0699","0.0717","","","","","","1.037","","","","has coordinates,has Fobs","267668","2021-07-21","05:24:14",""
"2243875","6.0146","0.0002","19.2817","0.0007","20.9887","0.0007","90","","90","","90","","2434.1","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-{2-[(8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-2-oxoethyl} 2,2-dimethylpropanethioate","","- C26 H38 O5 S -","- C26 H38 O5 S -","- C104 H152 O20 S4 -","4","1","","Rousselin, Yoann; Yolka, Sylvie; Clavel, Alexandre","Crystal structures of two polymorphs of tixocortol pivalate","Acta Crystallographica Section E","2021","77","8","809","813","10.1107/S2056989021007167","","x-ray","1.54178","CuKα","","0.0639","0.0551","","","0.1256","0.1303","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","267668","2021-07-21","05:24:16",""
"2243876","8.6219","0.0003","10.8064","0.0003","12.9992","0.0004","103.078","0.002","104.013","0.003","98.863","0.002","1116.33","0.06","100.4","0.8","100.4","0.8","","","","","","","","7","P -1","-P 1","2","","Bis[bis(6,6'-dimethyl-2,2'-bipyridine)copper(I)] hexafluoridozirconate(IV) 1.134-hydrate","","- C48 H50.27 Cu2 F6 N8 O1.13 Zr -","- C48 H50.268 Cu2 F6 N8 O1.134 Zr -","- C48 H50.268 Cu2 F6 N8 O1.134 Zr -","1","0.5","HB7977","Wang, Yiran; Nisbet, Matthew L.; Poeppelmeier, Kenneth R.","Crystal structures of two copper(I)‒6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)~2~]~2~[<i>M</i>F~6~]·<i>x</i>H~2~O (<i>M</i> = Zr, Hf; <i>x</i> = 1.134, 0.671)","Acta Crystallographica Section E","2021","77","8","819","823","10.1107/S2056989021007295","","x-ray","0.71073","MoKα","","0.0475","0.0351","","","0.0834","0.0879","","","","","","1.072","","","","has coordinates,has Fobs","267669","2021-07-21","05:24:54",""
"2243877","8.5737","0.0001","10.7967","0.0002","13.0183","0.0002","103.273","0.001","103.662","0.001","98.785","0.001","1112.08","0.03","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","Bis[bis(6,6'-dimethyl-2,2'-bipyridine)copper(I)] hexafluoridohafnate(IV) 0.671-hydrate","","- C48 H49.34 Cu2 F6 Hf N8 O0.67 -","- C48 H49.344 Cu2 F6 Hf N8 O0.672 -","- C48 H49.344 Cu2 F6 Hf N8 O0.672 -","1","0.5","","Wang, Yiran; Nisbet, Matthew L.; Poeppelmeier, Kenneth R.","Crystal structures of two copper(I)‒6,6'-dimethyl-2,2'-bipyridyl (dmbpy) compounds, [Cu(dmbpy)~2~]~2~[<i>M</i>F~6~]·<i>x</i>H~2~O (<i>M</i> = Zr, Hf; <i>x</i> = 1.134, 0.671)","Acta Crystallographica Section E","2021","77","8","819","823","10.1107/S2056989021007295","","x-ray","0.71073","MoKα","","0.0273","0.0228","","","0.0544","0.0557","","","","","","1.078","","","","has coordinates,has Fobs","267669","2021-07-21","05:24:55",""
"2243878","19.0048","0.0006","11.5216","0.0004","17.2227","0.0006","90","","116.526","0.001","90","","3374.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2<i>Z</i>)-<i>N</i>,<i>N</i>-Dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide","","- C16 H12 F5 N3 O -","- C16 H12 F5 N3 O -","- C128 H96 F40 N24 O8 -","8","1","HB7979","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Niyazova, Aytan A.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of (2<i>Z</i>)-<i>N</i>,<i>N</i>-dimethyl-2-(pentafluorophenyl)-2-(2-phenylhydrazin-1-ylidene)acetamide","Acta Crystallographica Section E","2021","77","8","829","833","10.1107/S2056989021007349","","","0.71073","MoKα","","0.0506","0.0436","","","0.1256","0.1294","","","","","","1.079","","","","has coordinates,has Fobs","267732","2021-07-24","05:13:06",""
"2243879","8.2284","0.0003","13.7693","0.0004","13.923","0.0004","90","","96.155","0.001","90","","1568.37","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","TX2040","Bouzian, Younos; Chkirate, Karim; Mague, Joel T.; Al-Ostoot, Fares Hezam; Hammou Ahabchane, Noureddine; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate","Acta Crystallographica Section E","2021","77","8","824","828","10.1107/S2056989021007416","","","0.71073","MoKα","","0.0517","0.046","","","0.1282","0.1331","","","","","","1.033","","","","has coordinates,has Fobs","267733","2021-07-24","05:13:33",""
"2243880","7.0111","0.0008","11.0123","0.0013","20.493","0.002","90","","96.202","0.005","90","","1573","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>S</i>,<i>E</i>)-3-[4-(Furan-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-benzo[<i>b</i>][1,4]diazepin-2-ylidene]-6-methyl-2<i>H</i>-pyran-2,4(3<i>H</i>)-dione","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","WM5612","El Hafi, Mohamed; Lahmidi, Sanae; El Ghayati, Lhoussaine; Hökelek, Tuncer; Mague, Joel T.; Amer, Bushra; Sebbar, Nada Kheira; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section E","2021","77","8","834","838","10.1107/S2056989021007441","","","0.71073","MoKα","","0.1039","0.0786","","","0.1999","0.2138","","","","","","1.136","","","","has coordinates,has Fobs","267785","2021-07-28","05:40:36",""
"2243881","13.4029","0.0004","15.831","0.0004","19.6257","0.0006","90","","107.841","0.003","90","","3964","0.2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis{<i>N</i>'-[3-(4-nitrophenyl)-1-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylcarbamimidothioato}zinc(II)","","- C44 H34 N8 O4 S2 Zn -","- C44 H34 N8 O4 S2 Zn -","- C176 H136 N32 O16 S8 Zn4 -","4","1","MW2178","Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B. S. A.; Tiekink, Edward R. T.","Bis{<i>N</i>'-[3-(4-nitrophenyl)-1-phenylprop-2-en-1-ylidene]-<i>N</i>-phenylcarbamimidothioato}zinc(II): crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica Section E","2021","77","8","839","846","10.1107/S2056989021007398","","","0.71073","MoKα","","0.0517","0.0363","","","0.0782","0.0859","","","","","","1.015","","","","has coordinates,has Fobs","267816","2021-07-29","05:54:50",""
"2243882","7.3643","0.0009","17.909","0.002","16.71","0.002","90","","95.23","0.004","90","","2194.7","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(Diphenylphosphinothioyl)-2-(3-oxobut-1-en-yl)ferrocene","","- C26 H23 Fe O P S -","- C26 H23 Fe O P S -","- C104 H92 Fe4 O4 P4 S4 -","4","1","ZL5019","Bandyopadhyay, Uchchhal; Sundararaju, Basker; Poli, Rinaldo; Manoury, Eric; Daran, Jean-Claude","Synthesis and crystallographic studies of 2-(diphenylphosphinothioyl)-2-(3-oxobut-1-en-yl)ferrocene","Acta Crystallographica Section E","2021","77","8","853","856","10.1107/S205698902100760X","","","0.71073","MoKα","","0.0913","0.053","","","0.1252","0.1441","","","","","","1.029","","","","has coordinates,has Fobs","267851","2021-07-31","05:52:37",""
"2243883","4.71248","0.00009","6.96463","0.00014","11.5455","0.0003","105.617","0.0018","95.7876","0.0016","95.9993","0.0016","359.638","0.014","100","2","100","2","","","","","","","","5","P 1","P 1","1","","<i>N</i>'-[2-(Benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide","","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","- C16 H13 N3 O2 S -","1","1","YK2155","Azzam, Rasha A.; Elgemeie, Galal H.; Seif, Mona M.; Jones, Peter G.","Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide, an achiral compound crystallizing in space group <i>P</i>1 with <i>Z</i> = 1","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007672","","","0.71073","MoKα","","0.0315","0.0297","","","0.0767","0.0784","","","","","","1.064","","","","has coordinates,has Fobs","267931","2021-08-04","04:02:53",""
"2243884","9.266","0.0003","12.959","0.0004","13.101","0.0004","96.2487","0.0015","109.181","0.0015","106.106","0.0014","1392.39","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","2-Nitro-3-phenyl-9<i>H</i>-carbazole","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C72 H48 N8 O8 -","4","2","EX2047","Singh, Neetu; Noh, Ga Hee; Park, Hyoung-Ryun; Lee, Junseong","Crystal structure, Hirshfeld surface and photophysical analysis of 2-nitro-3-phenyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007726","","","0.71073","MoKα","","0.0491","0.0414","","","0.1081","0.1147","","","","","","1.077","","","","has coordinates,has Fobs","267932","2021-08-04","04:03:17",""
"2243885","12.3319","0.0011","14.4082","0.0013","13.6155","0.0012","90","","96.4589","0.0016","90","","2403.9","0.4","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(2,6-Diisopropylbenzene)-<i>N</i>,<i>N</i>-diethyl-3,3-dimethyl-2-azaspiro[4.5]decan-1-amine","","- C27 H46 N2 -","- C27 H46 N2 -","- C108 H184 N8 -","4","1","ZL5021","Naumann, Roxanne A.; Ziller, Joseph W.; Liberman-Martin, Allegra L.","Crystal structure of 2-(2,6-diisopropylphenyl)-<i>N</i>,<i>N</i>-diethyl-3,3-dimethyl-2-azaspiro[4.5]decan-1-amine: a diethylamine adduct of a cyclic(alkyl)(amino)carbene (CAAC)","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007854","","","0.71073","MoKα","","0.0721","0.0482","","","0.1058","0.1207","","","","","","1.018","","","","has coordinates,has Fobs","267988","2021-08-07","04:30:27",""
"2243886","7.6918","0.0011","13.299","0.002","14.13","0.002","75.026","0.002","81.728","0.003","79.838","0.002","1367.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Diethyl (2<i>E</i>,2'<i>E</i>)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1<i>H</i>-indole-2,7-diyl]diacrylate","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C66 H56 N4 O8 -","2","1","ZN2008","Zhang, Xue-Jun","Crystal structure and Hirshfeld analysis of diethyl (2<i>E</i>,2'<i>E</i>)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1<i>H</i>-indole-2,7-diyl]diacrylate","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007829","","","0.71073","MoKα","","0.0596","0.0419","","","0.1041","0.1181","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","267989","2021-08-07","04:30:52",""
"2243887","19.259","0.0009","12.5734","0.0003","21.6767","0.0009","90","","115.861","0.005","90","","4723.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(2,3,4,6,7,8,9,10-octahydropyrimido[1,2-<i>a</i>]azepin-1-ium) tri-μ~2~-iodido-bis[triiodidobismuth(III)]","","- C27 H51 Bi2 I9 N6 -","- C27 H51 Bi2 I9 N6 -","- C108 H204 Bi8 I36 N24 -","4","1","JQ2007","James, Zoe; Cai, Yunhe; Vaqueiro, Paz","Crystal structure of (C~9~H~17~N~2~)~3~[Bi~2~I~9~]","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007799","","","0.71073","MoKα","","0.0537","0.0359","","","0.0795","0.0858","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","267990","2021-08-07","04:31:19",""
"2243888","17.436","0.002","7.2485","0.0007","20.595","0.002","90","","99.181","0.004","90","","2569.6","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3<i>Z</i>)-7-Methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3<i>H</i>)-one","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","WM5614","Atioğlu, Zeliha; Akkurt, Mehmet; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Askerov, Rizvan K.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of (3<i>Z</i>)-7-methoxy-3-(2-phenylhydrazinylidene)-1-benzofuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007891","","","0.71073","MoKα","","0.1274","0.0733","","","0.1347","0.1515","","","","","","1.008","","","","has coordinates,has Fobs","267991","2021-08-07","04:31:42",""
"2243889","10.0991","0.0018","7.7277","0.0014","45.979","0.008","90","","90","","90","","3588.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-1-(4-Chlorophenyl)-<i>N</i>-(4-ferrocenylphenyl)methanimine","","- C23 H18 Cl Fe N -","- C23 H18 Cl Fe N -","- C184 H144 Cl8 Fe8 N8 -","8","1","ZL5016","Sghyar, Riham; Moussaoui, Oussama; Sebbar, Nada Kheira; Ait Elmachkouri, Younesse; Irrou, Ezaddine; Hökelek, Tuncer; Mague, Joel T.; Bentama, Abdesslam; El hadrami, El Mestafa","Crystal structure and Hirshfeld surface analysis study of (<i>E</i>)-1-(4-chlorophenyl)-<i>N</i>-(4-ferrocenylphenyl)methanimine","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008033","","","0.71073","MoKα","","0.0921","0.0626","","","0.1112","0.1183","","","","","","1.165","","","","has coordinates,has disorder,has Fobs","268021","2021-08-11","02:14:19",""
"2243890","8.3876","0.0013","8.3876","0.0013","30.048","0.007","90","","90","","120","","1830.7","0.6","90","2","90","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","Sodium lithium sulfate hexahydrate","Lithium trisodium bis(sulfate) hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0131","0.0131","","","0.036","0.036","","","","","","1.144","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:52",""
"2243891","8.4006","0.0019","8.4006","0.0019","30.111","0.009","90","","90","","120","","1840.2","0.8","180","","180","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sodium-Lithium-Sulfate-Hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0214","0.0214","","","0.0534","0.0534","","","","","","1.176","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243892","8.426","0.002","8.426","0.002","30.197","0.004","90","","90","","120","","1856.7","0.7","260","2","260","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sodium-Lithium-Sulfate-Hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0174","0.0168","","","0.042","0.0426","","","","","","1.132","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243893","8.4337","0.0017","8.4337","0.0017","30.235","0.006","90","","90","","120","","1862.4","0.6","273","2","273","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","Sodium-Lithium-Sulfate-Hexahydrate","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.0198","0.0188","","","0.046","0.0528","","","","","","1.277","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243894","8.457","0.007","8.457","0.007","30.33","0.03","90","","90","","120","","1879","3","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- H12 Li Na3 O14 S2 -","- H12 Li Na3 O14 S2 -","- H72 Li6 Na18 O84 S12 -","6","0.333333","RU2076","Schmidt, Horst; Paschke, Iris; Voigt, Wolfgang","LiNa~3~(SO~4~)~2~·6H~2~O: a lithium double salt causing trouble in the industrial conversion of Li~2~SO~4~ into LiOH","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008057","","","0.71073","MoKα","","0.04","0.0378","","","0.0996","0.1052","","","","","","1.113","","","","has coordinates,has Fobs","268022","2021-08-11","02:14:53",""
"2243895","9.1719","0.0005","11.7493","0.0007","12.6049","0.0007","113.083","0.002","99.148","0.002","99.38","0.002","1195.14","0.12","170","2","170","2","","","","","","","","5","P -1","-P 1","2","CpMo(CO)2(PPh3)(COEt)","Dicarbonyl(η^5^-cyclopentadienyl)propionyl(triphenylphosphane-κ<i>P</i>)molybdenum(II)","","- C28 H25 Mo O3 P -","- C28 H25 Mo O3 P -","- C56 H50 Mo2 O6 P2 -","2","1","JQ2008","Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G.","Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008008","","","0.71073","MoKα","","0.0201","0.0189","","","0.05","0.0509","","","","","","1.072","","","","has coordinates,has Fobs","268023","2021-08-11","02:15:47",""
"2243896","11.7991","0.0004","18.6907","0.0008","22.4744","0.0008","90","","97.256","0.002","90","","4916.7","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CpMo(CO)2(P(4-FPh)3(COEt)","Dicarbonyl(η^5^-cyclopentadienyl)propionyl[tris(4-fluorophenyl)phosphane-κ<i>P</i>]molybdenum(II)","","- C28 H22 F3 Mo O3 P -","- C28 H22 F3 Mo O3 P -","- C224 H176 F24 Mo8 O24 P8 -","8","2","JQ2008","Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G.","Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008008","","","0.71073","MoKα","","0.0386","0.0292","","","0.0605","0.0633","","","","","","1.068","","","","has coordinates,has Fobs","268023","2021-08-11","02:15:47",""
"2243897","10.5308","0.0006","12.1305","0.0007","13.6154","0.0008","97.66","0.002","104.759","0.002","107.081","0.002","1566.43","0.16","170","2","170","2","","","","","","","","6","P -1","-P 1","2","CpMo(CO)2(P(4-MeOPh)3)(COEt)","Dicarbonyl(η^5^-cyclopentadienyl)propionyl[tris(4-methoxyphenyl)phosphane-κ<i>P</i>]molybdenum(II) dichloromethane solvate","","- C32 H33 Cl2 Mo O6 P -","- C32 H33 Cl2 Mo O6 P -","- C64 H66 Cl4 Mo2 O12 P2 -","2","1","JQ2008","Whited, Matthew T.; Ball, Margaret A.; Block, Alison; Brewster, Benjamin A.; Ferrer, LouLou; Jin-Lee, Helen J.; King, Colby J.; North, Jamie D.; Shelton, Inger L.; Wilson, David G.","Crystal structures of phosphine-supported (η^5^-cyclopentadienyl)molybdenum(II) propionyl complexes","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008008","","","0.71073","MoKα","","0.0218","0.0202","","","0.0529","0.0538","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","268023","2021-08-11","02:15:48",""
"2243898","9.662","0.001","27.01","0.003","7.4782","0.0008","90","","111.571","0.002","90","","1814.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-2-Amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","","- C20 H15 Cl2 N3 O2 -","- C20 H15 Cl2 N3 O2 -","- C80 H60 Cl8 N12 O8 -","4","1","YZ2010","Naghiyev, Farid N.; Pavlova, Anastasiya V.; Khrustalev, Victor N.; Akkurt, Mehmet; Khalilov, Ali N.; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-amino-4-(2,6-dichlorophenyl)-5-(1-hydroxyethylidene)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021007994","","","0.71073","MoKα","","0.1039","0.0533","","","0.1037","0.1259","","","","","","1.014","","","","has coordinates,has Fobs","268024","2021-08-11","02:16:22",""
"2243899","7.0501","0.0003","10.0314","0.0005","19.5058","0.0009","101.023","0.001","90.468","0.001","97.233","0.001","1342.53","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","μ-Aqua-1:2κ^2^<i>O</i>:<i>O</i>-heptaaqua-1κ^3^<i>O</i>,2κ^2^<i>O</i>,3κ^2^<i>O</i>-bis(μ-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olato)-1:2κ^2^<i>O</i>^2^:<i>N</i>^1^;2:3κ^2^<i>N</i>^1^:<i>O</i>^2^-bis(4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-olato)-1κ<i>O</i>^2^,3κ<i>O</i>^2^-2-cadmium-1,3-disodium","","- C12 H24 Cd N12 Na2 O20 -","- C12 H24 Cd N12 Na2 O20 -","- C24 H48 Cd2 N24 Na4 O40 -","2","1","JY2009","Divya, R.; Bijini, B. R.; Dhanya, V. S.; Babu, K. Rajendra; Sithambaresan, M.","Synthesis and crystal structure of a heterobimetallic cadmium‒sodium complex of 1,3,5-triazine-2,4,6-trione, [CdNa~2~(C~3~H~2~N~3~O~3~)~4~(H~2~O)~8~]","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008148","","","0.71073","MoKα","","0.028","0.0243","","","0.0614","0.0633","","","","","","1.2","","","","has coordinates,has Fobs","268120","2021-08-18","02:11:25",""
"2243900","9.0064","0.0009","9.234","0.0008","9.8426","0.0009","93.859","0.003","105.571","0.004","99.483","0.005","772.37","0.13","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua{μ~6~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate]","","- C12 H14.2 Co2 N O11.6 -","- C12 H11 Co2 N O11.6 -","- C24 H22 Co4 N2 O23.2 -","2","1","WM5615","Ma, Jie; Zhang, Wen-Zhi; Liu, Yong; Yi, Wen-Tao","Synthesis, crystal structure and magnetic properties of poly[[diaqua{μ~6~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate]","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008355","","","0.71073","MoKα","","0.0432","0.035","","","0.0793","0.0839","","","","","","1.039","","","","has coordinates","268121","2021-08-18","02:11:55",""
"2243901","10.6719","0.0005","11.8089","0.0004","14.0901","0.0007","105.697","0.004","94.026","0.004","104.815","0.004","1633.99","0.14","294","","294","","","","","","","","","6","P -1","-P 1","2","","Bis[<i>cis</i>-diaquabis(phenanthroline)cobalt(II)] bis(citrato)germanate(IV) dinitrate","","- C60 H50 Co2 Ge N10 O24 -","- C60 H50 Co2 Ge N10 O24 -","- C60 H50 Co2 Ge N10 O24 -","1","0.5","ZL5018","Buchko, Olha; Dyakonenko, Viktoriya; Martsinko, Elena; Chebanenko, Elena","Crystal structure of bis[<i>cis</i>-diaquabis(phenanthroline)cobalt(II)] bis(citrato)germanate(IV) dinitrate","Acta Crystallographica Section E","2021","77","9","","","10.1107/S205698902100846X","","x-ray","0.71073","MoKα","","0.0917","0.0683","","","0.1711","0.1915","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","268158","2021-08-21","01:57:30",""
"2243902","9.7653","0.0015","11.725","0.002","11.8191","0.0015","64.882","0.005","71.276","0.007","86.692","0.008","1155.6","0.3","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[hexaaqua{μ~3~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] pentahydrate]","","- C12 H29 Co2 N O19 -","- C12 H29 Co2 N O19 -","- C24 H58 Co4 N2 O38 -","2","1","CQ2045","Ma, Jie; Zhang, Wen-Zhi; Xiong, Jie; Yan, Chun-Yan","Synthesis and crystal structure of <i>catena</i>-poly[[hexaaqua{μ~3~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] pentahydrate] containing water tapes and pentamers","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008343","","x-ray","0.71073","MoKα","","0.0307","0.0268","","","0.0673","0.0685","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","268159","2021-08-21","01:57:53",""
"2243903","14.9122","0.001","17.641","0.0009","4.9878","0.0003","90","","90","","90","","1312.12","0.14","170","","170","","","","","","","","","4","P n m a","-P 2ac 2n","62","","4-Chloro-1<i>H</i>-pyrazole","","- C3 H3 Cl N2 -","- C3 H3 Cl N2 -","- C36 H36 Cl12 N24 -","12","1.5","ZL5013","Rue, Kelly; Raptis, Raphael G.","Low-temperature crystal structure of 4-chloro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2021","77","9","1","0","10.1107/S2056989021008604","","","0.71073","MoKα","","0.0427","0.0327","","","0.0835","0.0919","","","","","","1.062","","","","has coordinates,has Fobs","268200","2021-08-25","02:10:06",""
"2243904","16.2689","0.0006","12.8086","0.0007","4.9983","0.0002","90","","90","","90","","1041.55","0.08","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-(Pyridine-2-carbonyl)pyridine-2-carboxamide","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C48 H36 N12 O8 -","4","1","VM2252","Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof","Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008562","","x-ray","1.54184","CuKα","","0.0656","0.0597","","","0.159","0.17","","","","","","1.071","","","","has coordinates","268201","2021-08-25","02:10:52",""
"2243905","16.6058","0.001","12.9096","0.0007","4.9153","0.0003","90","","90","","90","","1053.71","0.11","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-(3-Fluoropyridine-2-carbonyl)pyridine-2-carboxamide","","- C12 H8 F N3 O2 -","- C12 H8 F N3 O2 -","- C48 H32 F4 N12 O8 -","4","1","VM2252","Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof","Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008562","","x-ray","1.54184","CuKα","","0.0642","0.0545","","","0.1401","0.1518","","","","","","1.034","","","","has coordinates,has disorder","268201","2021-08-25","02:10:52",""
"2243906","6.7062","0.0003","14.119","0.0005","11.2074","0.0005","90","","97.14","0.004","90","","1052.94","0.08","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3-Fluoro-<i>N</i>-(3-fluoropyridine-2-carbonyl)pyridine-2-carboxamide","","- C12 H7 F2 N3 O2 -","- C12 H7 F2 N3 O2 -","- C48 H28 F8 N12 O8 -","4","0.5","VM2252","Xu, Xiaowen; Hoogenboom, Richard; Van Hecke, Kristof","Crystal structures of three <i>N</i>-(pyridine-2-carbonyl)pyridine-2-carboxamides as potential ligands for supramolecular chemistry","Acta Crystallographica Section E","2021","77","9","","","10.1107/S2056989021008562","","x-ray","1.54184","CuKα","","0.0712","0.0553","","","0.1447","0.1612","","","","","","1.039","","","","has coordinates","268201","2021-08-25","02:10:52",""
"2243907","5.5366","0.0003","17.9208","0.0008","16.2085","0.0008","90","","99.173","0.002","90","","1587.65","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(<i>E</i>)-1-[2,2-Dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene","","- C16 H14 Cl2 N2 O -","- C16 H14 Cl2 N2 O -","- C64 H56 Cl8 N8 O4 -","4","2","ZN2009","Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Qacar, Ayten M.; Askerov, Rizvan K.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene","Acta Crystallographica Section E","2021","77","9","965","970","10.1107/S2056989021008756","","","0.71073","MoKα","","0.1113","0.0594","","","0.1202","0.1449","","","","","","1.01","","","","has coordinates,has Fobs","268277","2021-08-28","02:08:33",""
"2243908","12.396","0.003","6.528","0.0007","20.758","0.003","90","","104.39","0.02","90","","1627.1","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-({2,2-Dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile","","- C17 H14 Cl2 N4 -","- C17 H14 Cl2 N4 -","- C68 H56 Cl8 N16 -","4","1","VM2253","Shikhaliyev, Namiq Q.; Atioğlu, Zeliha; Akkurt, Mehmet; Suleymanova, Gulnar T.; Babayeva, Gulnare V.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-({2,2-dichloro-1-[4-(dimethylamino)phenyl]ethenyl}diazenyl)benzonitrile","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009154","","","0.79475","synchrotron","","0.0561","0.0403","","","0.101","0.1097","","","","","","1.06","","","","has coordinates,has Fobs","269045","2021-09-08","02:04:53",""
"2243909","5.5587","0.0009","8.6673","0.0013","8.7649","0.0012","105.654","0.012","98.56","0.013","90.784","0.013","401.45","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Nitroquinazolin-4(3<i>H</i>)-one","","- C8 H5 N3 O3 -","- C8 H5 N3 O3 -","- C16 H10 N6 O6 -","2","1","","Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon","Crystal structures of 6-nitroquinazolin-4(3<i>H</i>)-one, 6-aminoquinazolin-4(3<i>H</i>)-one and 4-aminoquinazoline hemihydrochloride dihydrate","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021008823","","x-ray","1.54184","CuKα","","0.0645","0.0469","","","0.125","0.1453","","","","","","1.022","","","","has coordinates,has Fobs","269046","2021-09-08","02:06:02",""
"2243910","13.4535","0.0005","4.951","0.0002","21.6188","0.0008","90","","90","","90","","1439.99","0.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","6-Aminoquinazolin-4(3<i>H</i>)-one","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C64 H56 N24 O8 -","8","2","","Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon","Crystal structures of 6-nitroquinazolin-4(3<i>H</i>)-one, 6-aminoquinazolin-4(3<i>H</i>)-one and 4-aminoquinazoline hemihydrochloride dihydrate","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021008823","","x-ray","1.54184","CuKα","","0.048","0.036","","","0.0885","0.0976","","","","","","1.022","","","","has coordinates,has Fobs","269046","2021-09-08","02:06:05",""
"2243911","14.3512","0.0012","7.5867","0.0006","16.2282","0.0009","90","","93.544","0.007","90","","1763.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(Hemi-4-aminoquinazoline)chloride dihydrate","4-Aminoquinazolin-1-ium chloride‒4-aminoquinazoline‒water (1/1/2)","","- C16 H19 Cl N6 O2 -","- C16 H19 Cl N6 O2 -","- C64 H76 Cl4 N24 O8 -","4","1","","Turgunov, Kambarali; Ziyadullaev, Mirjalol; Khoshimov, Farkhod; Karimov, Rikhsiboy; Elmuradov, Burkhon","Crystal structures of 6-nitroquinazolin-4(3<i>H</i>)-one, 6-aminoquinazolin-4(3<i>H</i>)-one and 4-aminoquinazoline hemihydrochloride dihydrate","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021008823","","x-ray","1.54184","CuKα","","0.0931","0.0541","","","0.1258","0.1505","","","","","","1.005","","","","has coordinates,has Fobs","269046","2021-09-08","02:06:15",""
"2243912","11.0631","0.0001","9.7215","0.0001","21.9271","0.0003","90","","96.746","0.001","90","","2341.93","0.05","95","2","95","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","[Amino({6-[(4-{[amino(iminiumyl)methyl]amino}phenyl)carbonyloxy]naphthalen-2-yl})methylidene]azanium bis(methanesulfonate)","","- C21 H25 N5 O8 S2 -","- C21 H25 N5 O8 S2 -","- C84 H100 N20 O32 S8 -","4","1","TX2042","Fujii, Isao","Crystal structure of nafamostat dimesylate","Acta Crystallographica Section E","2021","77","10","999","1002","10.1107/S2056989021009245","","x-ray","1.54184","CuKα","","0.0575","0.0545","","","0.1249","0.1259","","","","","","1.07","","","","has coordinates,has Fobs","271921","2022-01-06","23:33:22",""
"2243913","8.643","0.0015","9.9526","0.0016","10.0677","0.0018","79.039","0.006","70.124","0.006","68.366","0.005","755","0.2","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-(4-Methoxyphenyl)-3-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C19 H16 O3 -","- C19 H16 O3 -","- C38 H32 O6 -","2","1","ZL5017","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009312","","","0.71073","MoKα","","0.0935","0.0533","","","0.1317","0.1623","","","","","","1.011","","","","has coordinates,has Fobs","269102","2021-09-11","02:08:50",""
"2243914","15.7724","0.0012","17.6042","0.0015","9.3589","0.0009","90","","114.259","0.003","90","","2369.1","0.4","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>RS</i>)-5-(4-Methoxyphenyl)-1-(4-phenythiazol-2-yl)-3-(4-(prop-2-ynyloxy)phenyl)-4,5-dihydro-1<i>H</i>-pyrazole","","- C28 H23 N3 O2 S -","- C28 H23 N3 O2 S -","- C112 H92 N12 O8 S4 -","4","1","ZL5017","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009312","","","0.71073","MoKα","","0.0673","0.0404","","","0.0905","0.1031","","","","","","1.046","","","","has coordinates,has Fobs","269102","2021-09-11","02:08:51",""
"2243915","16.5634","0.0017","17.725","0.0019","9.4032","0.0011","90","","116.401","0.003","90","","2472.7","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>RS</i>)-5-(4-Methoxyphenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C29 H25 N3 O2 S -","- C29 H25 N3 O2 S -","- C116 H100 N12 O8 S4 -","4","1","ZL5017","Mahesha, Ninganayaka; Yathirajan, Hemmige S.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Rathore, Ravindranath S.; Glidewell, Christopher","Formation of 1-(thiazol-2-yl)-4,5-dihydropyrazoles from simple precursors: synthesis, spectroscopic characterization and the structures of an intermediate and two products","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009312","","","0.71073","MoKα","","0.0733","0.0418","","","0.1004","0.1214","","","","","","1.077","","","","has coordinates,has Fobs","269102","2021-09-11","02:08:51",""
"2243916","31.676","0.002","44.806","0.003","12.6056","0.0008","90","","90","","90","","17891","2","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","Hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)","","- C73 H79.94 F2 Fe8 N9 O32.47 -","- C73 H79.944 F2 Fe8 N9 O32.472 -","- C584 H639.552 F16 Fe64 N72 O259.776 -","8","0.5","ZL5012","Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.","Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)","Acta Crystallographica Section E","2021","77","10","1003","1009","10.1107/S2056989021009208","","","0.71073","MoKα","","0.0547","0.0385","","","0.0831","0.0902","","","","","","1.045","","","","has coordinates,has disorder","271922","2022-01-06","23:33:37",""
"2243917","11.846","0.0006","15.5041","0.0007","12.6425","0.0006","90","","115.449","0.001","90","","2096.64","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1)","","- C34 H39 Cl Fe4 N4 O17 -","- C34 H39 Cl Fe4 N4 O17 -","- C68 H78 Cl2 Fe8 N8 O34 -","2","1","","Ward, Cassandra L.; Allen, Matthew J.; Lutter, Jacob C.","Hexa-μ-acetato-chlorido(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)-μ~3~-oxido-tetrairon(III)–water (1/1) and hexa-μ-acetato-(μ-<i>N</i>,2-dioxodobenzene-1-carboximidato)fluorido-μ~3~-oxido-tripyridinetetrairon(III)–pyridine–water (1/1/0.24)","Acta Crystallographica Section E","2021","77","10","1003","1009","10.1107/S2056989021009208","","","0.71073","MoKα","","0.0397","0.0327","","","0.0688","0.0713","","","","","","1.059","","","","has coordinates,has disorder","271922","2022-01-06","23:33:37",""
"2243918","11.429","0.0002","11.429","0.0002","15.5815","0.0002","90","","90","","120","","1762.61","0.05","293","2","293","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","(Δ/Λ)-Tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C24 H120 Cl14 Co4 N24 Na2 O12 -","2","0.166667","HB7980","Conrad-Marut, Linden H.; Reinheimer, Eric W.; Johnson, Adam R.","Synthesis and structure determination of racemic (Δ/Λ)-tris(ethylenediamine)cobalt(III) trichloride hemi(hexaaquasodium chloride)","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009336","","x-ray","0.71073","MoKα","","0.0311","0.0266","","","0.0704","0.0724","","","","","","1.06","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2243919","21.1079","0.0009","14.0026","0.0006","19.4346","0.0008","90","","109.342","0.001","90","","5420","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate","","- C44 H52 N8 O18 Pd Re4 -","- C44 H52 N8 O18 Pd Re4 -","- C176 H208 N32 O72 Pd4 Re16 -","4","0.5","TX2041","Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan","Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate)","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009270","","","0.71073","MoKα","","0.0434","0.028","","","0.0598","0.0651","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","269149","2021-09-15","01:49:58",""
"2243920","12.9278","0.0004","13.5132","0.0005","14.1184","0.0005","105.983","0.001","108.51","0.001","106.129","0.001","2060.1","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","Octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium","","- C82 H60 O10 P4 Pd4 Re2 -","- C82 H60 O10 P4 Pd4 Re2 -","- C82 H60 O10 P4 Pd4 Re2 -","1","0.5","TX2041","Shapovalov, Sergey; Tikhonova, Olga; Skabitsky, Ivan","Crystal structure of the new palladium complexes tetrakis(1,3-dimethylimidazolium-2-ylidene)palladium(II) hexadecacarbonyltetrarhenium diethyl ether disolvate and octa-μ-carbonyl-dicarbonyltetrakis(triphenylphosphane)palladiumdirhenium (unknown solvate)","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009270","","","0.71073","MoKα","","0.0203","0.0179","","","0.0417","0.0423","","","","","","1.104","","","","has coordinates,has Fobs","269149","2021-09-15","01:49:59",""
"2243921","8.853","0.0005","9.0592","0.0006","9.6621","0.0006","67.806","0.002","62.887","0.002","68.58","0.002","620.88","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[μ~3~-aqua-hexa-μ~2~-aqua-tetra-μ-cyanurato-tetralithium]","","- C12 H22 Li4 N12 O19 -","- C12 H22 Li4 N12 O19 -","- C12 H22 Li4 N12 O19 -","1","0.5","CQ2044","Ponnuvel, Anjapuli; Kala, Arumugam Pillai; Nagaraja, Karachalacherevu Seetharamiah; Karnan, Chandran","Polymeric coordination complex of lithium(I) with aqua and cyanurate ligands","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009324","","","0.71073","MoKα","","0.0443","0.0391","","","0.1097","0.1152","","","","","","1.14","","","","has coordinates,has disorder,has Fobs","269150","2021-09-15","01:50:19",""
"2243922","15.6595","0.0009","13.1466","0.0014","7.6834","0.0015","90","","93.146","0.009","90","","1579.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9,9-Diethylfluorene-2,4,7-tricarbaldehyde","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","ZQ2265","Seidel, Pierre; Schwarzer, Anke; Mazik, Monika","Crystal structure of 9,9-diethyl-9<i>H</i>-fluorene-2,4,7-tricarbaldehyde","Acta Crystallographica Section E","2021","77","10","1","0","10.1107/S2056989021009464","","","0.71073","MoKα","","0.0896","0.0469","","","0.1117","0.1267","","","","","","0.933","","","","has coordinates,has Fobs","269204","2021-09-18","02:06:17",""
"2243923","13.7143","0.0002","13.7143","","16.1312","0.0002","90","","90","","120","","2627.51","0.05","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","Hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)","","- C18 H42 Cd2 Cl7 Fe N6 O6 -","- C18 H42 Cd2 Cl7 Fe N6 O6 -","- C54 H126 Cd6 Cl21 Fe3 N18 O18 -","3","0.166667","CQ2046","Vassilyeva, Olga Yu.; Kokozay, Vladimir N.; Petrusenko, Svitlana; Sobolev, Alexandre N.","Crystal structure of hexakis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)iron(III) μ-chlorido-bis(trichloridocadmium)","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009580","","","1.54178","CuKα","","0.0221","0.0196","","","0.0555","0.0574","","","","","","1.002","","","","has coordinates,has Fobs","269241","2021-09-22","01:59:55",""
"2243924","5.2353","0.0002","13.5065","0.0005","14.3158","0.0005","98.045","0.003","98.327","0.003","91.255","0.003","990.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Nonyl-3-phenylquinoxalin-2-one","","- C23 H28 N2 O -","- C23 H28 N2 O -","- C46 H56 N4 O2 -","2","1","DJ2034","Abad, Nadeem; Chkirate, Karim; Al-Ostoot, Fares Hezam; Van Meervelt, Luc; Lahmidi, Sanae; Ferfra, Souad; Ramli, Youssef; Essassi, El Mokhtar","Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenylquinoxalin-2-one","Acta Crystallographica Section E","2021","77","10","1037","1042","10.1107/S2056989021009737","","x-ray","0.71073","MoKα","","0.0923","0.07","","","0.2178","0.2402","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","271919","2022-01-06","23:33:08",""
"2243925","15.0134","0.0006","8.1336","0.0003","18.2841","0.0006","90","","104.307","0.002","90","","2163.48","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,2,2-Trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide","","- C24 H18 Cl3 N O3 -","- C24 H18 Cl3 N O3 -","- C96 H72 Cl12 N4 O12 -","4","1","YK2156","Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 2,2,2-trichloro-<i>N</i>,<i>N</i>-bis{[(1<i>RS</i>,4<i>SR</i>)-1,4-dihydro-1,4-epoxynaphthalen-1-yl]methyl}acetamide","Acta Crystallographica Section E","2021","77","10","1048","1053","10.1107/S2056989021009907","","","0.71073","MoKα","","0.0646","0.0412","","","0.1046","0.1179","","","","","","1.013","","","","has coordinates,has Fobs","271920","2022-01-06","23:33:15",""
"2243926","11.6553","0.0005","13.6846","0.0007","16.1109","0.0006","96.842","0.004","105.959","0.003","111.907","0.004","2220.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis{[2-methoxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethanamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>]manganese(II)} bis(tetraphenylborate) dichloromethane 1.45-solvate","","- C99.45 H94.9 B2 Cl2.9 Mn2 N6 O6 -","- C99.452 H94.904 B2 Cl2.904 Mn2 N6 O6 -","- C99.452 H94.904 B2 Cl2.904 Mn2 N6 O6 -","1","0.5","ZL5024","Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P.","Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands","Acta Crystallographica Section E","2021","77","10","982","988","10.1107/S2056989021009786","","","0.71073","MoKα","","0.0838","0.0535","","","0.1251","0.1448","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","271923","2022-01-06","23:33:48",""
"2243927","10.3504","0.0003","17.4824","0.0005","23.9618","0.0009","90","","96.222","0.003","90","","4310.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)[2-hydroxy-<i>N</i>,<i>N</i>-bis(quinolin-2-ylmethyl)ethanamine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>](methanol-κ<i>O</i>)manganese(II) tetraphenylborate methanol monosolvate","","- C50 H52 B Mn N3 O5 -","- C50 H52 B Mn N3 O5 -","- C200 H208 B4 Mn4 N12 O20 -","4","1","","Frey, Steven T.; Ballot, Jasper G.; Hands, Allison; Cirka, Haley A.; Rinaolo, Katheryn C.; Phalkun, Nich N.; Kaur, Manpreet; Jasinski, Jerry P.","Geometrical variations of two manganese(II) complexes with closely related quinoline-based tripodal ligands","Acta Crystallographica Section E","2021","77","10","982","988","10.1107/S2056989021009786","","","0.71073","MoKα","","0.0832","0.0542","","","0.1278","0.1485","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","271923","2022-01-06","23:33:48",""
"2243928","14.3158","0.0006","8.3972","0.0003","13.0871","0.0004","90","","108.04","0.004","90","","1495.9","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Cyclopropyl-<i>N</i>-(2-hydroxyethyl)-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","1","HB7983","Pokhodylo, Nazariy T.; Slyvka, Yurii; Pavlyuk, Volodymyr","Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclopropyl-<i>N</i>-(2-hydroxyethyl)-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole-4-carboxamide","Acta Crystallographica Section E","2021","77","10","","","10.1107/S2056989021009774","","","0.71073","MoKα","","0.0904","0.0468","","","0.0892","0.0991","","","","","","1.05","","","","has coordinates,has Fobs","269362","2021-09-29","02:19:00",""
"2243929","8.5368","0.0006","9.6594","0.0006","13.5173","0.0012","75.947","0.006","79.302","0.006","74.554","0.005","1033.47","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 1-[<i>N</i>-(4-methylphenyl)-<i>N</i>-(methylsulfonyl)alanyl]piperidine-4-carboxylate","","- C19 H28 N2 O5 S -","- C19 H28 N2 O5 S -","- C38 H56 N4 O10 S2 -","2","1","VM2254","Mambourg, Kalina; Tumanov, Nikolay; Henon, Gilles; Lanners, Steve; Garcia-Ladona, Javier; Wouters, Johan","Crystal structures of two alanylpiperidine analogues","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010392","","","0.71073","MoKα","","0.093","0.054","","","0.13","0.158","","","","","","1.02","","","","has coordinates,has Fobs","269933","2021-10-14","02:24:19",""
"2243930","12.1013","0.0002","12.3092","0.0002","12.4348","0.0003","90","","100.546","0.002","90","","1820.97","0.06","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[<i>N</i>-(4-methylphenyl)-<i>N</i>-(methylsulfonyl)alanyl]piperidine-4-carboxylic acid","","- C17 H24 N2 O5 S -","- C17 H24 N2 O5 S -","- C68 H96 N8 O20 S4 -","4","1","VM2254","Mambourg, Kalina; Tumanov, Nikolay; Henon, Gilles; Lanners, Steve; Garcia-Ladona, Javier; Wouters, Johan","Crystal structures of two alanylpiperidine analogues","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010392","","","0.71073","MoKα","","0.0615","0.0429","","","0.113","0.1256","","","","","","1.018","","","","has coordinates,has Fobs","269933","2021-10-14","02:24:23",""
"2243931","15.7976","0.0005","5.9184","0.0003","19.534","0.0008","90","","90.31","0.002","90","","1826.33","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Oxo-1,2-diphenylethyl diisopropylcarbamate","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","2","WM5618","Martens, Viktor; Görls, Helmar; Imhof, Wolfgang","Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010367","","","0.71073","MoKα","","0.0853","0.0685","","","0.1274","0.1397","","","","","","1.086","","","","has coordinates,has Fobs","269934","2021-10-14","02:25:07",""
"2243932","11.1507","0.0009","18.4653","0.0015","12.8519","0.001","90","","91.786","0.004","90","","2644.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(3a<i>SR</i>,6<i>RS</i>,6a<i>SR</i>,7<i>RS</i>,11b<i>SR</i>,11c<i>RS</i>)-2,2-Dibenzyl-2,3,6a,11c-tetrahydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,11b-diepoxydibenzo[<i>de</i>,<i>h</i>]isoquinolin-2-ium trifluoromethanesulfonate","","- C31 H28 F3 N O5 S -","- C31 H28 F3 N O5 S -","- C124 H112 F12 N4 O20 S4 -","4","1","WM5617","Atioğlu, Zeliha; Akkurt, Mehmet; Mammadova, Gunay Z.; Mlowe, Sixberth","Crystal structure and Hirshfeld surface analysis of (3a<i>SR</i>,6<i>RS</i>,6a<i>SR</i>,7<i>RS</i>,11b<i>SR</i>,11c<i>RS</i>)-2,2-dibenzyl-2,3,6a,11c-tetrahydro-1<i>H</i>,6<i>H</i>,7<i>H</i>-3a,6:7,11b-diepoxydibenzo[<i>de</i>,<i>h</i>]isoquinolin-2-ium trifluoromethanesulfonate","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010173","","","0.71073","MoKα","","0.0559","0.0392","","","0.0992","0.109","","","","","","1.036","","","","has coordinates,has Fobs","269935","2021-10-14","02:26:49",""
"2243933","10.7174","0.0005","13.8944","0.0007","4.0643","0.0002","90","","90","","90","","605.22","0.05","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Ammonium carbamoyl(cyano)(nitroso)methanide","","- C3 H6 N4 O2 -","- C3 H6 N4 O2 -","- C12 H24 N16 O8 -","4","1","HB7989","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Lysenko, Andrey B.; Rusanov, Eduard B.","Hydrogen-bonding landscape of the carbamoylcyanonitrosomethanide anion in the crystal structure of its ammonium salt","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010239","","","0.71073","MoKα","","0.0357","0.0323","","","0.0797","0.0814","","","","","","1.095","","","","has coordinates,has Fobs","269936","2021-10-14","02:27:36",""
"2243934","6.8165","0.0003","4.4676","0.0002","13.2879","0.0006","90","","95.1319","0.0016","90","","403.04","0.03","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 1,3-benzoxazole-2-carboxylate","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C18 H14 N2 O6 -","2","1","DJ2033","Poirot, Alexandre; Saffon-Merceron, Nathalie; Leygue, Nadine; Benoist, Eric; Fery-Forgues, Suzanne","Crystal structure of methyl 1,3-benzoxazole-2-carboxylate","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010094","","","0.71073","MoKα","","0.0319","0.0299","","","0.0749","0.0767","","","","","","1.1","","","","has coordinates,has Fobs","269937","2021-10-14","02:28:13",""
"2243935","7.6699","0.0004","11.608","0.0006","30.1431","0.0017","90","","90","","90","","2683.7","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>Z</i>)-2-{[(2,4-Dimethylphenyl)imino]methyl}-4-methylphenol","","- C16 H17 N O -","- C16 H17 N O -","- C128 H136 N8 O8 -","8","1","YK2157","Kansiz, Sevgi; Gul, Adem; Dege, Necmi; Agar, Erbil; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010215","","","0.71073","MoKα","","0.0691","0.0419","","","0.1135","0.1247","","","","","","0.997","","","","has coordinates,has Fobs","269938","2021-10-14","02:29:09",""
"2243936","12.9641","0.0008","16.8966","0.0007","13.1085","0.0008","90","","101.198","0.005","90","","2816.7","0.3","153","2","153","","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","(8<i>E</i>,22<i>E</i>)-4,4,12,18,18,26-Hexamethyl-3,5,17,19-tetraoxa-8,13,22,27-tetraaza-4,18-disilatricyclo[22.4.0.0^10,15^]octacosa-1(24),8,10,12,14,22,25,27-octaene-11,25-diol","","- C24 H36 N4 O6 Si2 -","- C24 H36 N4 O6 Si2 -","- C96 H144 N16 O24 Si8 -","4","0.5","","Böhme, Uwe; Schwarzer, Anke; Günther, Betty","Formation of a macrocycle from dichlorodimethylsilane and a pyridoxalimine Schiff base ligand","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010185","","","0.71073","MoKα","","0.0393","0.0319","","","0.0766","0.0816","","","","","","1.075","","","","has coordinates,has Fobs","269939","2021-10-14","02:29:39",""
"2243937","19.44","0.0015","8.607","0.0004","16.0977","0.001","90","","115.264","0.007","90","","2435.8","0.3","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~4~-4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazol-1-ido]rubidium]","","- C6 H N8 O8 Rb -","- C6 H N8 O8 Rb -","- C48 H8 N64 O64 Rb8 -","8","1","HB7988","Domasevitch, Kostiantyn V.; Ponomarova, Vira V.","Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010227","","","0.71073","MoKα","","0.0379","0.0256","","","0.0535","0.0552","","","","","","0.885","","","","has coordinates,has Fobs","269940","2021-10-14","02:30:15",""
"2243938","19.944","0.002","8.6307","0.0007","16.2083","0.0017","90","","113.766","0.008","90","","2553.4","0.5","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[μ~4~-4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazol-1-ido]caesium]","","- C6 H Cs N8 O8 -","- C6 H Cs N8 O8 -","- C48 H8 Cs8 N64 O64 -","8","1","HB7988","Domasevitch, Kostiantyn V.; Ponomarova, Vira V.","Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010227","","","0.71073","MoKα","","0.0327","0.0268","","","0.0579","0.06","","","","","","1.207","","","","has coordinates,has Fobs","269940","2021-10-14","02:30:15",""
"2243939","13.0008","0.0002","12.5903","0.0002","12.9988","0.0002","90","","114.899","0.002","90","","1929.93","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diaquabis(hexamethylenetramine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)","","- C30 H58 Co N20 O2 S2 -","- C30 H58 Co N20 O2 S2 -","- C60 H116 Co2 N40 O4 S4 -","2","0.5","HB7982","Krebs, Christoph; Ceglarska, Magdalena; Näther, Christian","Synthesis and crystal structure of diaquabis(hexamethylenetramine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010033","","x-ray","1.54178","CuKα","","0.0253","0.0247","","","0.0708","0.0711","","","","","","1.093","","","","has coordinates,has Fobs","269941","2021-10-14","02:30:56",""
"2243940","13.3729","0.0009","8.9363","0.0007","16.4248","0.0016","90","","114.014","0.002","90","","1792.9","0.3","100.02","","100.02","","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloridobis{(2<i>S</i>,5<i>R</i>)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II)","","- C32 H46 Cl4 N6 Ni2 O2 -","- C32 H46 Cl4 N6 Ni2 O2 -","- C64 H92 Cl8 N12 Ni4 O4 -","2","1","EX2048","Homrani, Yasmina; Dahdouh, Abdelaziz; El Amrani, Mohamed Amin; Loxq, Pauline; Capet, Frédéric; Suisse, Isabelle; Sauthier, Mathieu","Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010537","","","0.71073","MoKα","","0.0524","0.0434","","","0.1036","0.1088","","","","","","1.046","","","","has coordinates,has Fobs","270045","2021-10-20","02:23:26",""
"2243941","5.3708","0.0001","15.22","0.0002","11.8014","0.0001","90","","99.076","0.001","90","","952.61","0.02","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)","","- C16 H20 Co N6 S2 -","- C16 H20 Co N6 S2 -","- C32 H40 Co2 N12 S4 -","2","0.5","HB7987","Krebs, Christoph; Jess, Inke; Näther, Christian","Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010422","","x-ray","1.54184","CuKα","","0.0238","0.0237","","","0.067","0.0671","","","","","","1.135","","","","has coordinates,has Fobs","270046","2021-10-20","02:24:10",""
"2243942","13.9171","0.0001","9.5114","0.0001","14.4487","0.0001","90","","90.489","0.001","90","","1912.52","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Co N6 S2 -","- C16 H20 Co N6 S2 -","- C64 H80 Co4 N24 S8 -","4","1","HB7987","Krebs, Christoph; Jess, Inke; Näther, Christian","Comparison of the crystal structures of the low- and high-temperature forms of bis[4-(dimethylamino)pyridine]dithiocyanatocobalt(II)","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010422","","x-ray","1.54184","CuKα","","0.0258","0.0255","","","0.0725","0.0728","","","","","","1.126","","","","has coordinates,has Fobs","270046","2021-10-20","02:24:10",""
"2243943","12.235","0.007","8.017","0.005","21.251","0.017","90","","90","","90","","2084","2","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-\ tetramethylethane-1,2-diamine)mercury(II)","","- C12 H26 Hg N2 O2 S4 -","- C12 H26 Hg N2 O2 S4 -","- C48 H104 Hg4 N8 O8 S16 -","4","0.5","EY2008","Qadir, Adnan M.; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of bis[(ethoxymethanethioyl)sulfanido](<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethane-1,2-diamine)mercury(II)","Acta Crystallographica Section E","2021","77","11","","","10.1107/S2056989021010549","","","0.71073","MoKα","","0.086","0.0526","","","0.1295","0.1473","","","","","","0.997","","","","has coordinates,has Fobs","270048","2021-10-20","02:25:06",""
"2243968","9.6963","0.0003","17.6307","0.0004","25.7044","0.0006","90","","90","","90","","4394.2","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(<i>R</i>*,<i>R</i>*)-2,2'-(1,4-Phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","(<i>R</i>,<i>R</i>)/(<i>S</i>,<i>S</i>)-2,2'-(1,4-Phenylene)bis(3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one)","","- C26 H24 N2 O2 S2 -","- C26 H24 N2 O2 S2 -","- C208 H192 N16 O16 S16 -","8","1","HB7986","Yennawar, Hemant P.; Medica, Joseph J.; Silverberg, Lee J.","Synthesis and crystal structure of racemic (<i>R</i>*,<i>R</i>*)-2,2'-(1,4-phenylene)bis(3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one)","Acta Crystallographica Section E","2021","77","12","1263","1266","10.1107/S2056989021011592","","","1.54184","CuKα","","0.043","0.0397","","","0.0995","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","271891","2022-01-06","23:01:17",""
"2243969","20.3825","0.0005","7.7039","0.0003","17.3078","0.0006","90","","98.24","0.002","90","","2689.7","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[triaquabis[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]dinickel(II)tetrapotassium]","","- C14 H18 K4 N8 Ni2 O17 -","- C14 H18 K4 N8 Ni2 O17 -","- C56 H72 K16 N32 Ni8 O68 -","4","1","TX2044","Plutenko, Maksym O.; Haukka, Matti; Husak, Alina O.; Golenya, Irina A.; Mulloev, Nurullo U.","A second solvatomorph of poly[[μ~4~-<i>N</i>,<i>N</i>'-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)dipotassium]: crystal structure, Hirshfeld surface analysis and semi-empirical geometry optimization","Acta Crystallographica Section E","2021","77","12","1289","1295","10.1107/S2056989021011774","","","0.71073","MoKα","","0.0562","0.0407","","","0.0756","0.0821","","","","","","1.14","","","","has coordinates,has Fobs","271892","2022-01-06","23:01:43",""
"2243970","6.7068","0.0004","6.7068","0.0004","5.8623","0.0006","90","","90","","90","","263.69","0.03","295.15","","295.15","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Rhodium dilead","","- Pb2 Rh0.95 -","- Pb2 Rh0.95 -","- Pb8 Rh3.8 -","4","0.125","WM5626","Mochiku, Takashi; Matsushita, Yoshitaka; Subotić, Nikola; Kashiwagi, Takanari; Kadowaki, Kazuo","Redetermination of the crystal structure of RhPb~2~ from single-crystal X-ray diffraction data, revealing a rhodium deficiency","Acta Crystallographica Section E","2021","77","12","1327","1329","10.1107/S2056989021012275","","","0.71073","MoKα","","0.029","0.0206","","","0.0395","0.0415","","","","","","1.006","","","","has coordinates,has Fobs","271893","2022-01-06","23:02:06",""
"2243971","8.4676","0.0002","8.8248","0.0003","14.0119","0.0005","76.374","0.003","85.32","0.002","85.251","0.002","1011.99","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide","","- C14 H22 Au Br2 I N4 -","- C14 H22 Au Br2 I N4 -","- C28 H44 Au2 Br4 I2 N8 -","2","1","YZ2012","Büssing, Rolf; Ott, Ingo; Jones, Peter G.","Crystal structures of the gold NHC complex bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide and its 1:1 adduct with <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) iodide","Acta Crystallographica Section E","2021","77","12","1249","1252","10.1107/S2056989021011488","","","0.71073","MoKα","","0.0313","0.0233","","","0.0502","0.0519","","","","","","1.022","","","","has coordinates,has Fobs","271894","2022-01-06","23:02:42",""
"2243972","8.0245","0.0004","8.5782","0.0003","15.9814","0.0006","91.228","0.003","96.517","0.004","92.255","0.004","1091.77","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) diiodide","","- C28 H44 Au2 Br4 I4 N8 -","- C28 H44 Au2 Br4 I4 N8 -","- C28 H44 Au2 Br4 I4 N8 -","1","0.5","YZ2012","Büssing, Rolf; Ott, Ingo; Jones, Peter G.","Crystal structures of the gold NHC complex bis(4-bromo-1,3-diethylimidazol-2-ylidene)gold(I) iodide and its 1:1 adduct with <i>trans</i>-bis(4-bromo-1,3-diethyl-imidazol-2-ylidene)diiodidogold(III) iodide","Acta Crystallographica Section E","2021","77","12","1249","1252","10.1107/S2056989021011488","","","0.71073","MoKα","","0.0504","0.0392","","","0.1002","0.1054","","","","","","1.061","","","","has coordinates,has Fobs","271894","2022-01-06","23:02:43",""
"2243973","10.6267","0.0004","12.8015","0.0005","15.1646","0.0007","90","","104.788","0.004","90","","1994.63","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[acetatochloridozinc(II)]-μ-(5<i>R</i>,6<i>R</i>,7<i>S</i>)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-<i>a</i>]pyrimidin-6-amine] monohydrate]","","- C17 H20 Cl N5 O4 Zn -","- C17 H20 Cl N5 O4 Zn -","- C68 H80 Cl4 N20 O16 Zn4 -","4","1","JY2010","Shyshkina, Mariia O.; Shishkina, Svitlana V.; Ostras, Konstantin S.; Gorobets, Nikolay Yu.; Chebanov, Valentyn A.; Desenko, Sergey M.","The first coordination complex of (5<i>R</i>,6<i>R</i>,7<i>S</i>)-5-(furan-2-yl)-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-<i>a</i>]pyrimidin-6-amine with zinc(II) acetate-chloride","Acta Crystallographica Section E","2021","77","12","1323","1326","10.1107/S2056989021012226","","","0.71073","MoKα","","0.0749","0.0423","","","0.093","0.1022","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","271895","2022-01-06","23:03:10",""
"2243974","47.714","0.002","9.1176","0.0004","22.9324","0.001","90","","104.168","0.004","90","","9673","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Tris[triphenylantimony(V)]-hexa-(μ-oxido)tellurate(VI)","Hexa-μ-oxido-1:2κ^4^<i>O</i>:<i>O</i>;1:3κ^4^<i>O</i>:<i>O</i>;1:4κ^4^<i>O</i>:<i>O</i>-nonaphenyl-2κ^3^<i>C</i>,3κ^3^<i>C</i>,4κ^3^<i>C</i>-triantimony(V)tellurium(VI)","","- C54 H45 O6 Sb3 Te -","- C54 H45 O6 Sb3 Te -","- C432 H360 O48 Sb24 Te8 -","8","1","CQ2048","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.","Tris[triphenylantimony(V)]hexa(μ-oxido)tellurium(VI): a molecular complex with six Te—O—Sb bridges","Acta Crystallographica Section E","2021","77","12","1229","1233","10.1107/S2056989021011294","","","0.71073","MoKα","","0.0518","0.0381","","","0.0914","0.0963","","","","","","0.928","","","","has coordinates,has Fobs","271896","2022-01-06","23:03:48",""
"2243975","7.1579","0.0006","8.8119","0.0007","17.415","0.0013","80.357","0.003","80.805","0.003","68.919","0.003","1004.51","0.14","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","1,1'-(Pyridine-2,6-diyl)bis[<i>N</i>-(pyridin-2-ylmethyl)methanaminium] dichloride dihydrate","","- C19 H27 Cl2 N5 O2 -","- C19 H27 Cl2 N5 O2 -","- C38 H54 Cl4 N10 O4 -","2","1","TX2045","Merabet, Layachi; Tassé, Marine; Mallet-Ladeira, Sonia; Kaboub, Lakhemici; Malfant, Isabelle","Crystal structure of 1,1'-(pyridine-2,6-diyl)bis[<i>N</i>-(pyridin-2-ylmethyl)methanaminium] dichloride dihydrate","Acta Crystallographica Section E","2021","77","12","1296","1298","10.1107/S205698902101183X","","","0.71073","MoKα","","0.0941","0.05","","","0.1063","0.1226","","","","","","1.028","","","","has coordinates,has Fobs","271897","2022-01-06","23:04:13",""
"2243976","23.647","0.002","21.123","0.002","16.8132","0.0018","90","","109.727","0.003","90","","7905.2","1.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[3,5-bis(trifluoromethyl)phenyl-2κ<i>C</i>^1^](hydrido-2κ<i>H</i>)(iodido-1κ<i>I</i>)bis[1,1(η^5^)-pentamethylcyclopentadienyl]germaniumuranium(<i>Ge</i>—<i>U</i>)","","- C36 H37 F12 Ge I U -","- C36 H37 F12 Ge I U -","- C288 H296 F96 Ge8 I8 U8 -","8","1","VM2256","Tarlton, Michael L.; Kelley, Steven P.; Walensky, Justin R.","Crystal structures of metallocene complexes with uranium–germanium bonds","Acta Crystallographica Section E","2021","77","12","1258","1262","10.1107/S2056989021011269","","","0.71073","MoKα","","0.0579","0.0449","","","0.1022","0.112","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","271898","2022-01-06","23:05:02",""
"2243977","34.16","0.003","13.5237","0.0011","16.2986","0.0013","90","","95.028","0.002","90","","7500.5","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[3,5-bis(trifluoromethyl)phenyl-2κ<i>C</i>^1^](fluorido-1κ<i>I</i>)(hydrido-2κ<i>H</i>)bis[1,1(η^5^)-pentamethylcyclopentadienyl]germaniumuranium(<i>Ge</i>—<i>U</i>)","","- C37 H39 F13 Ge U -","- C37 H39 F13 Ge U -","- C296 H312 F104 Ge8 U8 -","8","1","","Tarlton, Michael L.; Kelley, Steven P.; Walensky, Justin R.","Crystal structures of metallocene complexes with uranium–germanium bonds","Acta Crystallographica Section E","2021","77","12","1258","1262","10.1107/S2056989021011269","","","0.71073","MoKα","","0.0736","0.0412","","","0.0838","0.0941","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","271898","2022-01-06","23:05:02",""
"2243978","10.5819","0.0007","42.705","0.002","7.2531","0.0006","90","","108.8","0.008","90","","3102.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-Aminoacridinium chloride <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C128 H144 Cl8 N24 O8 -","8","2","DX2038","Fritsky, Igor O.; Sirenko, Valerii Y.; Shova, Sergiu; Kucheriv, Olesia I.; Gural'skiy, Il'ya A.","Crystal structure of 9-aminoacridinium chloride <i>N</i>,<i>N</i>-dimethylformamide monosolvate","Acta Crystallographica Section E","2021","77","12","1303","1306","10.1107/S2056989021011816","","","0.71073","MoKα","","0.1353","0.0845","","","0.1729","0.1991","","","","","","1.099","","","","has coordinates,has Fobs","271899","2022-01-06","23:05:34",""
"2243979","6.0092","0.0002","13.6227","0.0005","13.4716","0.0005","90","","90","","90","","1102.81","0.07","105","2","105","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Phosphanetricarbonitrile–1,4-diazabicyclo[2.2.2]octane (1/1)","","- C9 H12 N5 P -","- C9 H12 N5 P -","- C36 H48 N20 P4 -","4","0.5","YY2005","Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A.","The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section E","2021","77","12","1190","1196","10.1107/S2056989021011464","","","0.71073","MoKα","","0.0327","0.0277","","","0.0662","0.0682","","","","","","1.079","","","","has coordinates,has Fobs","271900","2022-01-06","23:06:12",""
"2243980","6.5807","0.0002","12.3447","0.0004","10.7719","0.0004","90","","104.555","0.002","90","","846.99","0.05","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Phosphanetricarbonitrile–1,4-diazabicyclo[2.2.2]octane (1/2)","","- C15 H24 N7 P -","- C15 H24 N7 P -","- C30 H48 N14 P2 -","2","0.5","","Purdy, Andrew P.; Butcher, Ray J.; Klug, Christopher A.","The structures of 1:1 and 1:2 adducts of phosphanetricarbonitrile with 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section E","2021","77","12","1190","1196","10.1107/S2056989021011464","","","0.71073","MoKα","","0.08","0.0492","","","0.0987","0.1093","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","271900","2022-01-06","23:06:12",""
"2243981","6.2278","0.0006","9.6965","0.0008","14.9822","0.0013","105.288","0.008","97.126","0.007","96.919","0.007","854.82","0.14","100.15","","100.15","","","","","","","","","4","P 1","P 1","1","Fluorenonophane chlorobenzene monosolvate","1^9^<i>H</i>,7^9^<i>H</i>-3,5,9,11-Tetraoxa-1,7(2,7)-difluorena-4,10(1,3)-dibenzenacyclododecaphane-1^9^,7^9^-dione chlorobenzene monosolvate","","- C48 H33 Cl O6 -","- C48 H33 Cl O6 -","- C48 H33 Cl O6 -","1","1","MW2179","Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Bogashchenko, Tatiana Yu.; Lyapunov, Alexander Yu.; Kirichenko, Tatiana I.","Fluorenonophane chlorobenzene solvate: molecular and crystal structures","Acta Crystallographica Section E","2021","77","12","1285","1288","10.1107/S2056989021011865","","x-ray","0.71073","MoKα","","0.0919","0.0635","","","0.1455","0.1714","","","","","","1.034","","","","has coordinates,has Fobs","271901","2022-01-06","23:07:06",""
"2243982","8.8644","0.0004","19.9222","0.0008","8.1736","0.0003","90","","107.24","0.001","90","","1378.59","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[2-(3,5-Dimethylphenyl)hydrazinylidene]benzofuran-2(3<i>H</i>)-one","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","IS5559","Atioğlu, Zeliha; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Mukhtarova, Sevinc H.; Askerov, Rizvan K.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 3-[2-(3,5-dimethylphenyl)hydrazinylidene]benzofuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2021","77","12","1280","1284","10.1107/S2056989021011749","","","0.71073","MoKα","","0.1214","0.0624","","","0.1208","0.1461","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","271902","2022-01-06","23:07:28",""
"2243983","9.24","0.003","11.33","0.004","19.414","0.007","80.147","0.006","81.815","0.007","85.494","0.007","1979","1.2","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","Poly[tetraaqua{μ~2~-4,4'-[4,5-bis(4-carboxyphenyl)benzene-1,2-diyl]dibenzoato}tristrontium(II)]","","- C68 H46 O20 Sr3 -","- C68 H46 O20 Sr3 -","- C68 H46 O20 Sr3 -","1","0.5","YK2158","Usman, Muhammad; Ogebule, Lydia; Castañeda, Raúl; Oskolkov, Evgenii; Timofeeva, Tatiana","Two metal–organic frameworks based on Sr^2+^ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers","Acta Crystallographica Section E","2021","77","12","1243","1248","10.1107/S2056989021011361","","","0.71073","MoKα","","0.0357","0.0296","","","0.0825","0.0845","","","","","","1.077","","","","has coordinates,has Fobs","271903","2022-01-06","23:08:04",""
"2243984","5.935","0.0002","18.613","0.0008","16.1256","0.0007","90","","91.853","0.002","90","","1780.43","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~12~-4,4',4'',4'''-(benzene-1,2,4,5-tetrayl)tetrabenzoato](dimethylformamide)distrontium(II)]","","- C40 H32 N2 O10 Sr2 -","- C40 H32 N2 O10 Sr2 -","- C80 H64 N4 O20 Sr4 -","2","0.5","YK2158","Usman, Muhammad; Ogebule, Lydia; Castañeda, Raúl; Oskolkov, Evgenii; Timofeeva, Tatiana","Two metal–organic frameworks based on Sr^2+^ and 1,2,4,5-tetrakis(4-carboxyphenyl)benzene linkers","Acta Crystallographica Section E","2021","77","12","1243","1248","10.1107/S2056989021011361","","","0.71073","MoKα","","0.0494","0.0328","","","0.1004","0.1131","","","","","","0.87","","","","has coordinates,has Fobs","271903","2022-01-06","23:08:05",""
"2243985","9.637","0.0004","11.5888","0.0005","16.2367","0.0006","99.6716","0.0013","91.3031","0.0012","105.312","0.0012","1719.81","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis[hexaaquahemiaquapentakis(μ~3~-glycinehydroxamato)sulfatopentacopper(II)terbium(III)] sulfate hexahydrate","","- C20 H78 Cu10 N20 O51 S3 Tb2 -","- C20 H78 Cu10 N20 O51 S3 Tb2 -","- C20 H78 Cu10 N20 O51 S3 Tb2 -","1","0.5","YY2004","Pavlishchuk, Anna V.; Vasylenko, Inna V.; Zeller, Matthias; Addison, Anthony W.","Crystal structure of a Tb^III^–Cu^II^ glycinehydroxamate 15-metallacrown-5 sulfate complex","Acta Crystallographica Section E","2021","77","12","1197","1202","10.1107/S2056989021011907","","","1.54178","CuKα","","0.0414","0.0406","","","0.1167","0.1175","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","271904","2022-01-06","23:08:27",""
"2243986","5.2717","0.0003","24.9066","0.0014","14.8628","0.0007","90","","96.214","0.004","90","","1940.02","0.18","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-{[(<i>E</i>)-(3-Cyclobutyl-1<i>H</i>-1,2,4-triazol-5-yl)imino]methyl}phenol","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C78 H84 N24 O6 -","6","3","ZV2010","Gumus, Mustafa Kemal; Sen, Fatih; Kansiz, Sevgi; Dege, Necmi; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 2-{[(<i>E</i>)-(3-cyclobutyl-1<i>H</i>-1,2,4-triazol-5-yl)imino]methyl}phenol","Acta Crystallographica Section E","2021","77","12","1267","1271","10.1107/S2056989021011658","","","0.71073","MoKα","","0.0866","0.0577","","","0.1385","0.1532","","","","","","0.935","","","","has coordinates,has Fobs","271905","2022-01-06","23:08:50",""
"2243987","9.0627","0.0002","10.9637","0.0003","12.5727","0.0003","82.4508","0.0011","73.7215","0.0011","71.549","0.0011","1136.26","0.05","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","Bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κ<i>N</i>](trifluoromethanesulfonato-κ<i>O</i>)silver(I)","","- C21 H12 Ag F7 N4 O3 S -","- C21 H12 Ag F7 N4 O3 S -","- C42 H24 Ag2 F14 N8 O6 S2 -","2","1","","Moon, Suk-Hee; Paek, Sanghyun; Kang, Youngjin","Synthesis, crystal structure and photophysical properties of bis[2,6-difluoro-3-(pyridin-2-yl)pyridine-κ<i>N</i>](trifluoromethanesulfonato-κ<i>O</i>)silver(I)","Acta Crystallographica Section E","2021","77","12","1224","1228","10.1107/S2056989021011282","","","0.71073","MoKα","","0.0274","0.0254","","","0.0656","0.0667","","","","","","1.117","","","","has coordinates,has Fobs","271906","2022-01-06","23:09:28",""
"2243988","10.5033","0.0001","12.098","0.0002","13.864","0.0002","73.748","0.001","80.918","0.001","80.842","0.001","1657.75","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","Bis[μ-<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]bis[<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]-μ~4~-oxido-hexa-μ~3~-oxido-octa-μ~2~-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate","","- C24 H110 N16 Ni4 O38 Ta6 -","- C24 H92 N16 Ni4 O38 Ta6 -","- C24 H92 N16 Ni4 O38 Ta6 -","1","0.5","WM5616","Krause, Dana-Céline; Näther, Christian; Bensch, Wolfgang","Synthesis and crystal structure of bis[μ-<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]bis[<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]-μ~4~-oxido-hexa-μ~3~-oxido-octa-μ~2~-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate","Acta Crystallographica Section E","2021","77","12","1253","1257","10.1107/S2056989021011531","","x-ray","0.71073","MoKα","","0.023","0.0213","","","0.0585","0.0594","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","271907","2022-01-06","23:09:53",""
"2243989","11.1574","0.0004","11.1574","0.0004","11.1574","0.0004","90","","90","","90","","1388.96","0.09","296","2","296","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Tin(IV) trioxidotellurate(IV)","","- O8 Sn Te3 -","- O8 Sn Te3 -","- O64 Sn8 Te24 -","8","0.166667","HB7998","Ketter, Michael; Weil, Matthias","Single crystals of SnTe~3~O~8~ in the millimetre range grown by chemical vapor transport reactions","Acta Crystallographica Section E","2021","77","12","1276","1279","10.1107/S2056989021011828","","","0.71073","MoKα","","0.0158","0.0137","","","0.0293","0.03","","","","","","1.072","","","","has coordinates,has Fobs","271908","2022-01-06","23:10:39",""
"2243990","9.8201","0.00013","9.8201","0.00013","9.8201","0.00013","90","","90","","90","","947","0.02","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium sodium titanium iron tris(phosphate)","","- Fe K1.65 Na0.35 O12 P3 Ti -","- Fe K1.65 Na0.35 O12 P3 Ti -","- Fe4 K6.6 Na1.4 O48 P12 Ti4 -","4","0.333333","WM5625","Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S.","Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework","Acta Crystallographica Section E","2021","77","12","1299","1302","10.1107/S2056989021011877","","","0.71073","MoKα","","0.0253","0.0247","","","","0.0638","","","","","","1.137","","","","has coordinates,has Fobs","271910","2022-01-06","23:11:43",""
"2243991","9.7945","0.0001","9.7945","0.0001","9.7945","0.0001","90","","90","","90","","939.608","0.017","293","2","293","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Potassium sodium titanium iron tris(phosphate)","","- Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26 -","- Fe0.74 K0.97 Na1.03 O12 P3 Ti1.26 -","- Fe2.96 K3.88 Na4.12 O48 P12 Ti5.04 -","4","0.333333","WM5625","Zatovsky, Igor V.; Strutynska, Nataliia Yu.; Ogorodnyk, Ivan V.; Baumer, Vyacheslav N.; Slobodyanik, Nickolai S.; Butenko, Denis S.","Mixed-metal phosphates K~1.64~Na~0.36~TiFe(PO~4~)~3~ and K~0.97~Na~1.03~Ti~1.26~Fe~0.74~(PO~4~)~3~ with a langbeinite framework","Acta Crystallographica Section E","2021","77","12","1299","1302","10.1107/S2056989021011877","","","0.71073","MoKα","","0.0165","0.0164","","","","0.0429","","","","","","1.119","","","","has coordinates,has Fobs","271910","2022-01-06","23:11:45",""
"2243992","8.7761","0.0005","11.3876","0.0007","11.8654","0.0004","90","","90","","90","","1185.81","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-Dibromo-2,3,3-trimethyl-3<i>H</i>-indole","","- C11 H11 Br2 N -","- C11 H11 Br2 N -","- C44 H44 Br8 N4 -","4","1","ZN2011","Konovalova, Irina S.; Shishkina, Svitlana V.; Kobzev, Dmytro; Semenova, Olha; Tatarets, Anatoliy","Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt","Acta Crystallographica Section E","2021","77","12","1203","1207","10.1107/S2056989021011385","","x-ray","0.71073","MoKα","","0.0562","0.0469","","","0.1103","0.1207","","","","","","1.072","","","","has coordinates,has Fobs","271912","2022-01-06","23:12:39",""
"2243993","8.3507","0.0006","7.3719","0.0005","11.718","0.0008","90","","92.755","0.006","90","","720.53","0.09","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","4,6-Dibromo-2,3,3-trimethyl-3<i>H</i>-indol-1-ium iodide","","- C12 H14 Br2 I N -","- C12 H14 Br2 I N -","- C24 H28 Br4 I2 N2 -","2","0.5","","Konovalova, Irina S.; Shishkina, Svitlana V.; Kobzev, Dmytro; Semenova, Olha; Tatarets, Anatoliy","Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt","Acta Crystallographica Section E","2021","77","12","1203","1207","10.1107/S2056989021011385","","x-ray","0.71073","MoKα","","0.0493","0.0457","","","0.1155","0.1209","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","271912","2022-01-06","23:12:39",""
"2243994","8.3068","0.0009","24.328","0.0019","10.137","0.0009","90","","90","","90","","2048.6","0.3","150","0.1","150","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","(2-{[(2-Hydroxyethyl-κ<i>O</i>)amino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)(2-{[(2-hydroxyethyl)imino-κ<i>N</i>]methyl}-6-methoxyphenolato-κ<i>O</i>)copper(II)","","- C20 H26 Cu N2 O6 -","- C20 H26 Cu N2 O6 -","- C80 H104 Cu4 N8 O24 -","4","1","WM5622","Plyuta, Nataliya; Kokozay, Vladimir N.; Rusanova, Julia A.; Buvailo, Halyna; Goreshnik, Evgeny; Petrusenko, Svitlana","A bis-chelate <i>o</i>-vanillin-2-ethanolamine copper(II) complex bearing both imine and amine forms of the ligand","Acta Crystallographica Section E","2021","77","12","1272","1275","10.1107/S205698902101166X","","x-ray","0.71073","MoKα","","0.0363","0.0322","","","0.0757","0.0787","","","","","","1.061","","","","has coordinates,has Fobs","271913","2022-01-06","23:13:09",""
"2243995","8.5733","0.0001","14.2616","0.0002","13.9853","0.0001","90","","97.525","0.001","90","","1695.24","0.03","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[<i>rac</i>-1,8-Bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane]copper(II) diacetate tetrahydrate","","- C26 H60 Cu N6 O10 -","- C26 H60 Cu N6 O10 -","- C52 H120 Cu2 N12 O20 -","2","0.5","HB8001","Yasmin, Sabina; Rabi, Saswata; Chakraborty, Avijit; Kwong, Huey Chong; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","[<i>rac</i>-1,8-Bis(2-carbamoylethyl)-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane]copper(II) diacetate tetrahydrate: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section E","2021","77","12","1316","1322","10.1107/S2056989021012184","","","1.54184","CuKα","","0.0297","0.0289","","","0.0814","0.0824","","","","","","1.054","","","","has coordinates,has Fobs","271914","2022-01-06","23:13:34",""
"2244185","20.6241","0.0011","7.3309","0.0004","20.6485","0.0011","90","","90.532","0.001","90","","3121.8","0.3","100","","100.04","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(benzamide-κ<i>O</i>)dichloridozinc(II)","","- C14 H14 Cl2 N2 O2 Zn -","- C14 H14 Cl2 N2 O2 Zn -","- C112 H112 Cl16 N16 O16 Zn8 -","8","2","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.0221","0.0215","","","0.0532","0.0534","","","","","","1.067","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2244186","7.3802","0.0003","8.2491","0.0003","14.5953","0.0005","90","","97.852","0.001","90","","880.23","0.06","100","","100.03","","","","","","","","","6","P 1 21 1","P 2yb","4","","Dichloridobis(2-methylbenzamide-κ<i>O</i>)zinc(II)","","- C16 H18 Cl2 N2 O2 Zn -","- C16 H18 Cl2 N2 O2 Zn -","- C32 H36 Cl4 N4 O4 Zn2 -","2","1","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.019","0.0179","","","0.0384","0.0386","","","","","","1.001","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2244187","13.9452","0.0011","18.9742","0.0016","7.0651","0.0006","90","","108.021","0.002","90","","1777.7","0.3","100","","99.97","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(3-methylbenzamide-κ<i>O</i>)zinc(II)","","- C16 H18 Cl2 N2 O2 Zn -","- C16 H18 Cl2 N2 O2 Zn -","- C64 H72 Cl8 N8 O8 Zn4 -","4","0.5","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.0293","0.0224","","","0.0553","0.0588","","","","","","1.051","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2244188","6.8376","0.0004","17.2694","0.0009","14.9856","0.0007","90","","96.893","0.002","90","","1756.73","0.16","100","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloridobis(4-methylbenzamide-κ<i>O</i>)zinc(II)","","- C16 H18 Cl2 N2 O2 Zn -","- C16 H18 Cl2 N2 O2 Zn -","- C64 H72 Cl8 N8 O8 Zn4 -","4","1","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.0476","0.0305","","","0.0629","0.0687","","","","","","1.014","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2244189","7.0532","0.0006","21.3776","0.0017","11.1181","0.0009","90","","106.477","0.002","90","","1607.5","0.2","99.99","","99.99","","","","","","","","","6","C 1 c 1","C -2yc","9","","Dichloridobis(4-hydroxybenzamide-κ<i>O</i>)zinc(II)","","- C14 H14 Cl2 N2 O4 Zn -","- C14 H14 Cl2 N2 O4 Zn -","- C56 H56 Cl8 N8 O16 Zn4 -","4","1","ZL5023","Tinapple, Elizabeth; Farrar, Sam; Johnston, Dean H.","Crystal structures and hydrogen-bonding analysis of a series of benzamide complexes of zinc(II) chloride","Acta Crystallographica Section E","2021","77","9","880","886","10.1107/S2056989021008264","","x-ray","0.71073","MoKα","","0.0357","0.0304","","","0.0635","0.0654","","","","","","1.049","","","","has coordinates,has Fobs","278296","2022-10-01","02:02:06",""
"2244190","13.367","0.002","19.966","0.003","16.919","0.004","90","","106.099","0.015","90","","4338.4","1.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[3,5-Bis(bromomethyl)-2,4,6-triethylbenzyl]isoindoline-1,3-dione","","- C23 H25 Br2 N O2 -","- C23 H25 Br2 N O2 -","- C184 H200 Br16 N8 O16 -","8","2","ZQ2264","Stapf, Manuel; Leibiger, Betty; Schwarzer, Anke; Mazik, Monika","Crystal structures of 2-[3,5-bis(bromomethyl)-2,4,6-triethylbenzyl]isoindoline-1,3-dione and 2-{5-(bromomethyl)-3-[(1,3-dioxoisoindolin-2-yl)methyl]-2,4,6-triethylbenzyl}isoindoline-1,3-dione","Acta Crystallographica Section E","2021","77","9","919","923","10.1107/S205698902100788X","","","0.71073","MoKα","","0.0674","0.0355","","","0.0686","0.0798","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","278297","2022-10-01","02:04:57",""
"2244191","12.899","0.002","12.9748","0.0015","16.763","0.003","90","","109.168","0.013","90","","2650","0.7","153","2","153","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-{5-(Bromomethyl)-3-[(1,3-dioxoisoindolin-2-yl)methyl]-2,4,6-triethylbenzyl}isoindoline-1,3-dione","","- C31 H29 Br N2 O4 -","- C31 H29 Br N2 O4 -","- C124 H116 Br4 N8 O16 -","4","1","ZQ2264","Stapf, Manuel; Leibiger, Betty; Schwarzer, Anke; Mazik, Monika","Crystal structures of 2-[3,5-bis(bromomethyl)-2,4,6-triethylbenzyl]isoindoline-1,3-dione and 2-{5-(bromomethyl)-3-[(1,3-dioxoisoindolin-2-yl)methyl]-2,4,6-triethylbenzyl}isoindoline-1,3-dione","Acta Crystallographica Section E","2021","77","9","919","923","10.1107/S205698902100788X","","","0.71073","MoKα","","0.0953","0.056","","","0.1096","0.1288","","","","","","1.118","","","","has coordinates,has Fobs","278297","2022-10-01","02:04:58",""
"2300673","13.6088","0.0005","11.9627","0.0005","17.0791","0.0007","90","","112.45","0.001","90","","2569.72","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cu K0.67 O5.33 S1.33 -","- Cu K0.666667 O5.33333 S1.33333 -","- Cu24 K16 O128 S32 -","24","3","IU5009","Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid","Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities","Journal of Applied Crystallography","2021","54","1","237","250","10.1107/S1600576720015824","","","0.71073","MoKα","","0.0278","0.0234","","","0.0587","0.0609","","","","","","1.027","","","","has coordinates,has Fobs","261803","2021-02-05","14:54:33",""
"2300674","15.9721","0.001","9.4576","0.0006","9.0679","0.0006","90","","93.635","0.001","90","","1367.02","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cu K Na O8 S2 -","- Cu K Na O8 S2 -","- Cu8 K8 Na8 O64 S16 -","8","1","","Borisov, Artem S.; Siidra, Oleg I.; Kovrugin, Vadim M.; Golov, Andrey A.; Depmeier, Wulf; Nazarchuk, Evgeny V.; Holzheid, Astrid","Expanding the family of mineral-like anhydrous alkali copper sulfate framework structures: new phases, topological analysis and evaluation of ion migration potentialities","Journal of Applied Crystallography","2021","54","1","237","250","10.1107/S1600576720015824","","","0.71073","MoKα","","0.0349","0.029","","","0.0817","0.0851","","","","","","1.19","","","","has coordinates,has Fobs","261803","2021-02-05","14:54:36",""
"2300675","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","x-ray","0.35307","synchrotron","","0.0326","0.0326","","0.0193","0.0193","","","","1.5811","1.5811","1.5811","","","","","has coordinates,has disorder","264616","2021-04-28","05:22:37",""
"2300676","10.195","0.002","11.759","0.002","6.6206","0.0013","90","","103.67","0.03","90","","771.2","0.3","14.9","0.2","14.9","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Magnesium bis(hydrogen maleate) hexahydrate","","","- C8 H18 Mg O14 -","- C8 H18 Mg O14 -","- C16 H36 Mg2 O28 -","2","0.5","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","x-ray","0.3532","synchrotron","","0.0158","0.0158","","0.016","0.016","","","","2.9139","2.9139","2.9139","","","","","has coordinates,has disorder","264617","2021-04-28","05:23:16",""
"2300677","10.224","0.006","4.804","0.003","11.987","0.007","90","","101.419","0.013","90","","577.1","0.6","92","2","92","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Alanyl-glycyl-L-alanine","","","- C8 H17 N3 O5 -","- C8 H17 N3 O5 -","- C16 H34 N6 O10 -","2","1","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","","0.6214","synchrotron","","0.0326","0.0326","","0.0243","0.0243","0.1025","","","2.4093","2.4093","2.4093","1.02","","","","has coordinates,has disorder","264618","2021-04-28","05:23:58",""
"2300678","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","","0.71073","MoKα","","0.0173","0.0173","","0.0147","0.0147","0.0125","","","0.7156","0.7156","0.7156","0.646","","","","has coordinates,has disorder","264619","2021-04-28","05:24:29",""
"2300679","18.3464","0.0019","18.3464","0.0019","8.9241","0.0009","90","","90","","120","","2601.3","0.5","295","2","295","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- Al6.31 B4.94 -","- Al6.31 B4.94333 -","- Al113.58 B88.98 -","18","1","","Malkin, Alexander I.; Chernyshev, Vladimir V.; Ryazantseva, Alena A.; Vasiliev, Alexander L.; Nickolsky, Maximilian S.; Shiryaev, Andrei A.","Formation and characterization of an Al-rich metastable phase in the Al‒B phase diagram","Journal of Applied Crystallography","2021","54","4","","","10.1107/S1600576721005756","powder diffraction","","1.5418","CuKα","","","","","","","","","0.087","1.537","","","","","","","has coordinates","267617","2021-07-17","06:23:46",""
"2300680","3.8006","0.0001","11.2125","0.0003","27.4464","0.0007","90","","92.272","0.003","90","","1168.69","0.05","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","OC5009","Saunders, Lucy K.; Yeung, Hamish H.-M.; Warren, Mark R.; Smith, Peter; Gurney, Stuart; Dodsworth, Stephen F.; Vitorica-Yrezabal, Inigo J.; Wilcox, Adrian; Hathaway, Paul V.; Preece, Geoff; Roberts, Paul; Barnett, Sarah A.; Allan, David R.","An electric field cell for performing <i>in situ</i> single-crystal synchrotron X-ray diffraction","Journal of Applied Crystallography","2021","54","5","1349","1359","10.1107/S1600576721007469","","","0.534","","","0.0526","0.0418","","","0.1096","0.1203","","","","","","1.035","","","","has coordinates,has Fobs","269852","2021-10-07","14:27:18",""
"2300681","3.8006","0.0002","11.2165","0.0005","27.4621","0.0011","90","","92.271","0.005","90","","1169.77","0.09","298","","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","Saunders, Lucy K.; Yeung, Hamish H.-M.; Warren, Mark R.; Smith, Peter; Gurney, Stuart; Dodsworth, Stephen F.; Vitorica-Yrezabal, Inigo J.; Wilcox, Adrian; Hathaway, Paul V.; Preece, Geoff; Roberts, Paul; Barnett, Sarah A.; Allan, David R.","An electric field cell for performing <i>in situ</i> single-crystal synchrotron X-ray diffraction","Journal of Applied Crystallography","2021","54","5","1349","1359","10.1107/S1600576721007469","","","0.534","","","0.077","0.0495","","","0.1037","0.1136","","","","","","0.828","","","","has coordinates,has disorder,has Fobs","269852","2021-10-07","14:27:22",""
"2300682","3.7999","0.0003","11.2238","0.0006","27.4932","0.0014","90","","92.277","0.006","90","","1171.64","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N2 O4 -","- C14 H10 N2 O4 -","- C56 H40 N8 O16 -","4","1","","Saunders, Lucy K.; Yeung, Hamish H.-M.; Warren, Mark R.; Smith, Peter; Gurney, Stuart; Dodsworth, Stephen F.; Vitorica-Yrezabal, Inigo J.; Wilcox, Adrian; Hathaway, Paul V.; Preece, Geoff; Roberts, Paul; Barnett, Sarah A.; Allan, David R.","An electric field cell for performing <i>in situ</i> single-crystal synchrotron X-ray diffraction","Journal of Applied Crystallography","2021","54","5","1349","1359","10.1107/S1600576721007469","","","0.534","","","0.0758","0.0493","","","0.1025","0.1124","","","","","","0.822","","","","has coordinates,has Fobs","269852","2021-10-07","14:27:31",""
"2300683","9.6017","0.0002","13.3049","0.0004","6.4665","0.0001","90","","90","","90","","826.09","0.03","295","","295","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 K0.992 O4 -","- C8 H5 K0.992 O4 -","- C32 H20 K3.968 O16 -","4","1","","Petrenko, Arsen; Novikova, Nataliya; Blagov, Alexander; Kulikov, Anton; Pisarevskii, Yury; Verin, Igor; Kovalchuk, Michail","Lateral deformations of a crystal of potassium acid phthalate in an external electric field","Journal of Applied Crystallography","2021","54","5","1317","1326","10.1107/S1600576721007366","","x-ray","0.71073","MoKα","","0.032","0.0244","","","0.0232","0.0245","","","","1.24","1.24","1.21","","","","has coordinates,has Fobs","269853","2021-10-07","14:27:38",""
"2300684","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.141","0.1333","","","0.2674","0.2733","","","","","","1.41","","","","has coordinates","269432","2021-10-01","11:03:55",""
"2300685","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1409","0.1332","","","0.267","0.2729","","","","","","1.393","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300686","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1408","0.1332","","","0.2668","0.2727","","","","","","1.392","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300687","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","103.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1345","0.126","","","0.2553","0.2619","","","","","","1.337","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300688","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103.15","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Jha, Kunal Kumar; Gruza, Barbara; Chodkiewicz, Michał Leszek; Jelsch, Christian; Dominiak, Paulina Maria","Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model","Journal of Applied Crystallography","2021","54","4","1234","1243","10.1107/S160057672100580X","","","0.02508","electron","","0.1353","0.1268","","","0.2553","0.2619","","","","","","1.336","","","","has coordinates","288248","2023-12-12","12:55:27",""
"2300691","16.85","","16.85","","8.425","","90","","90","","90","","2392.05","","","","","","","","","","","","","5","P 1","P 1","1","","","","- C48 H60 N24 O8 Zn6 -","- C24 H30 N12 O4 Zn3 -","- C48 H60 N24 O8 Zn6 -","2","2","","Metz, Peter C.; Purdy, Stephen C.; Ryder, Matthew R.; Ganesan, Arvind; Nair, Sankar; Page, Katharine","Detailed total scattering analysis of disorder in ZIF-8","Journal of Applied Crystallography","2021","54","3","759","767","10.1107/S1600576721002843","","","","","","","","","","","","","","","","","","","","","has coordinates","274864","2022-05-04","01:56:57",""
"2312027","6.661","0.003","9.833","0.005","12.612","0.006","74.277","0.006","79.224","0.006","84.609","0.007","780.3","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua-[μ~4~-2,2'-[terephthaloylbis(azanediyl)]diacetato]calcium(II)] monohydrate]","","- C12 H16 Ca N2 O9 -","- C12 H16 Ca N2 O9 -","- C24 H32 Ca2 N4 O18 -","2","1","DG3022","Liu, Huang Huang; Liang, Chu Heng; Liu, Yan; Zhang, Hong Tao","A two-dimensional calcium (II) coordination polymer constructed from 2,2'-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure and properties.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 11","675","682","10.1107/S205322962101041X","","","0.71073","MoKα","","0.0747","0.0417","","","0.0827","0.0962","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","273083","2022-02-22","03:00:04",""
"2312030","19.46","","5.243","","5.239","","90","","90","","90","","534.529","","","","302","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3.044 Mn2.038 O6.486 -","- Ca12.176 Mn8.152 O25.944 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312031","19.435","","5.258","","5.247","","90","","90","","90","","536.187","","","","373","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312032","19.425","","5.278","","5.259","","90","","90","","90","","539.18","","","","473","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312033","19.44","","5.3","","5.275","","90","","90","","90","","543.494","","","","573","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312034","19.455","","5.325","","5.29","","90","","90","","90","","548.033","","","","673","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Ca3 Mn2 O7 -","- Ca3 Mn2 O7 -","- Ca12 Mn8 O28 -","4","0.5","","Beanland, R.; Smith, K.; Vaněk, P.; Zhang, H.; Hubert, A.; Evans, K.; Römer, R. A.; Kamba, S.","A new electron diffraction approach for structure refinement applied to Ca~3~Mn~2~O~7~","Acta Crystallographica Section A","2021","77","3","196","207","10.1107/S2053273321001546","","","","","","","","","","","","","","","","","","","","","has coordinates","278859","2022-10-28","14:48:56",""
"2312347","10.0732","0.0003","10.0051","0.0002","14.7474","0.0004","90","","109.945","0.003","90","","1397.15","0.07","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform monosolvate","","- C30 H26 Cl3 N O4 -","- C30 H26 Cl3 N O4 -","- C60 H52 Cl6 N2 O8 -","2","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0487","0.0483","","","0.1287","0.1293","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","287487","2023-11-08","03:10:51",""
"2312348","10.04475","0.00013","9.82563","0.00012","14.59465","0.00018","90","","108.742","0.0013","90","","1364.05","0.03","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane monosolvate","","- C30 H27 Cl2 N O4 -","- C30 H27 Cl2 N O4 -","- C60 H54 Cl4 N2 O8 -","2","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0395","0.0351","","","0.0929","0.0951","","","","","","1.051","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:02",""
"2312349","9.27898","0.00012","32.3574","0.0004","9.96336","0.00012","90","","90","","90","","2991.44","0.06","130","2","130","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform monosolvate","","- C30 H26 Cl3 N O4 -","- C30 H26 Cl3 N O4 -","- C120 H104 Cl12 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0339","0.0323","","","0.0829","0.084","","","","","","1.015","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:08",""
"2312350","9.28862","0.00009","10.34013","0.00009","24.3525","0.0002","90","","90","","90","","2338.95","0.04","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane 0.1-solvate","","- C29.1 H25.2 Cl0.2 N O4 -","- C29.1 H25.2 Cl0.2 N O4 -","- C116.4 H100.8 Cl0.8 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0314","0.031","","","0.0852","0.0855","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","287487","2023-11-08","03:11:19",""
"2312351","10.00099","0.00016","9.33129","0.00013","31.8959","0.0005","90","","90.4958","0.0013","90","","2976.48","0.08","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine chloroform sesquisolvate","","- C30.5 H26.5 Cl4.5 N O4 -","- C30.5 H26.5 Cl4.5 N O4 -","- C122 H106 Cl18 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0747","0.0577","","","0.1467","0.1584","","","","","","1.043","","","","has coordinates,has Fobs","287487","2023-11-08","03:11:33",""
"3000256","4.48908","0.00048","4.48908","0.00048","11.2064","0.0015","90","","90","","90","","225.83","0.05","800","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","Aluminum Strontium (4/1)","Aluminum Strontium (4/1)","Strontium Aluminide","- Al4 Sr -","- Al4 Sr -","- Al8 Sr2 -","2","0.0625","","Liss, Klaus-Dieter; Harjo, Stefanus; Kawasaki, Takuro; Aizawa, Kazuya; Xu, Pingguang","Anisotropic thermal lattice expansion and crystallographic structure of strontium aluminide within Al-10Sr alloy as measured by in-situ neutron diffraction","Journal of Alloys and Compounds","2021","","TBA","TBA","TBA","10.1016/j.jallcom.2021.159232","","","","","","0.10018","","","0.138174","","","","","0.0518501","","","","","","","has coordinates","262163","2021-02-23","16:04:00",""
"3000260","4.4424","0.00048","4.4424","0.00048","11.0836","0.0015","90","","90","","90","","218.73","0.04","300","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","Aluminum Strontium (4/1)","Aluminum Strontium (4/1)","Strontium Aluminide","- Al4 Sr -","- Al4 Sr -","- Al8 Sr2 -","2","0.0625","","Liss, Klaus-Dieter; Harjo, Stefanus; Kawasaki, Takuro; Aizawa, Kazuya; Xu, Pingguang","Anisotropic thermal lattice expansion and crystallographic structure of strontium aluminide within Al-10Sr alloy as measured by in-situ neutron diffraction","Journal of Alloys and Compounds","2021","","TBA","TBA","TBA","10.1016/j.jallcom.2021.159232","","","","","","0.10018","","","0.138174","","","","","0.0518501","","","","","","","has coordinates","262164","2021-02-23","16:11:12",""
"3000289","8.103","0.0003","8.103","0.0003","21.5343","0.0009","90","","90","","120","","1224.48","0.08","295","","295","","","","","","","","","4","R -3 :H","-R 3","148","","","","- Ge1.96 Na0.99 O12 P3 -","- Ge1.955 Na0.9925 O12 P3 -","- Ge11.73 Na5.955 O72 P18 -","6","0.333333","","Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.","Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3","The Journal of Chemical Physics","2021","155","7","074501","","10.1063/5.0049399","powder diffraction","","1.7982","neutron","","","","","","","","","3.1148","1.497","","","","","","","has coordinates","268134","2021-08-19","12:55:55",""
"3000290","8.2218","0.0004","8.2218","0.0004","21.457","0.0015","90","","90","","120","","1256.13","0.12","295","","295","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al0.43 Ge1.57 Na1.413 O12 P3 -","- Al0.432 Ge1.568 Na1.414 O12 P3 -","- Al2.592 Ge9.408 Na8.484 O72 P18 -","6","0.333333","","Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.","Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3","The Journal of Chemical Physics","2021","155","7","074501","","10.1063/5.0049399","powder diffraction","","1.7982","neutron","","","","","","","","","6.3356","1.922","","","","","","","has coordinates","268135","2021-08-19","12:57:18",""
"3000291","8.2927","0.0003","8.2927","0.0003","21.4139","0.0012","90","","90","","120","","1275.32","0.1","295","","295","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- Al0.804 Ge1.196 Na1.72 O12 P3 -","- Al0.804 Ge1.196 Na1.723 O11.9998 P2.99994 -","- Al4.824 Ge7.176 Na10.338 O71.9986 P17.9996 -","6","0.166667","","Gammond, Lawrence V. D.; Auer, Henry; Mendes Da Silva, Rita; Zeidler, Anita; Ortiz-Mosquera, Jairo F.; Nieto-Muñoz, Adriana M.; Rodrigues, Ana Candida M.; dAnciães Almeida Silva, Igor; Eckert, Hellmut; Benmore, Chris J.; Salmon, Philip S.","Structure of crystalline and amorphous materials in the NASICON system Na1+xAlxGe2−x(PO4)3","The Journal of Chemical Physics","2021","155","7","074501","","10.1063/5.0049399","powder diffraction","","1.7982","neutron","","","","","","","","","5.6265","1.6","","","","","","","has coordinates","268136","2021-08-19","12:58:25",""
"3000292","4.9326","0.0001","4.9326","0.0001","10.8508","0.0003","90","","90","","120","","228.636","0.009","300","2","300","2","","","","","","","","3","P -6 m 2","P -6 2","187","","","","- Cd0.92 Na Sn1.08 -","- Cd0.92 Na Sn1.08 -","- Cd2.76 Na3 Sn3.24 -","3","0.25","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0178","0.0178","","","0.0408","0.0408","","","","","","1.163","","","","has coordinates","262861","2021-03-08","09:40:06",""
"3000293","4.8458","0.0002","4.8458","0.0002","7.7569","0.0003","90","","90","","120","","157.743","0.011","298","2","298","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cd0.56 Na Sn1.44 -","- Cd0.56 Na Sn1.44 -","- Cd1.12 Na2 Sn2.88 -","2","0.0833333","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd-Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0164","0.0143","","","0.027","0.0276","","","","","","1.233","","","","has coordinates","262848","2021-03-08","09:19:11",""
"3000294","6.427","0.0001","6.427","0.0001","22.8086","0.0005","90","","90","","90","","942.14","0.03","299","2","299","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Cd Na2 Sn5 -","- Cd Na2 Sn5 -","- Cd4 Na8 Sn20 -","4","0.25","","Asamiya, Yuki; Yamada, Takahiro; Yamane, Hisanori","Synthesis and characterization of NaCd0.92Sn1.08, Na(Cd0.28Sn0.72)2, and Na2CdSn5 with three-dimensional Cd?Sn frameworks","Inorganics","2021","9","","19","","10.3390/inorganics9030019","","","0.71073","MoKα","","0.0228","0.0197","","","0.0325","0.0334","","","","","","1.277","","","","has coordinates","262850","2021-03-08","09:20:40",""
"3000295","5.88318","0.00013","10.6214","0.0002","6.745","0.0003","90","","106.043","0.0019","90","","405.07","0.02","293","","293","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Silver chromium diphosphorus hexasulfide","Silver chromium diphosphorus hexasulfide","","- Ag Cr P2 S6 -","- Ag Cr P2 S6 -","- Ag2 Cr2 P4 S12 -","2","0.5","","Selter, Sebastian; Shemerliuk, Yuliia; Buechner, Bernd; Aswartham, Saicharan","Crystal Growth of the Quasi-2D Quarternary Compound Ag Cr P2 S6 by Chemical Vapor Transport","Crystals","2021","11","","500","","10.3390/cryst11050500","powder diffraction","x-ray","1.54059","CuKα~1~","","0.0545","0.0523","","0.0569","0.0567","","","","2.13","","","","","","","has coordinates","265070","2021-05-10","11:55:42",""
"3000296","11.9921","0.0009","12.3662","0.001","13.916","0.0011","100.178","0.002","98.5","0.002","113.148","0.0017","1813.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H35 Cu6 Mo12 N30 O44 P -","- C36 H24 Cu6 Mo12 N30 O44 P -","- C36 H24 Cu6 Mo12 N30 O44 P -","1","0.5","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.071","0.0443","","","0.0918","0.1037","","","","","","1.027","","","","has coordinates,has disorder","264832","2021-05-04","10:26:06",""
"3000297","12.0101","0.0011","12.3947","0.0012","13.9307","0.0013","99.945","0.003","98.598","0.003","113.109","0.003","1823.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H39 Cu6 N30 O46 P W12 -","- C36 H30 Cu6 N30 O46 P W12 -","- C36 H30 Cu6 N30 O46 P W12 -","1","0.5","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.056","0.0439","","","0.1061","0.1124","","","","","","1.048","","","","has coordinates,has disorder","265103","2021-05-11","13:41:39",""
"3000298","12.6464","0.0006","12.6737","0.0005","23.6803","0.001","83.41","0.001","84.635","0.001","61.333","0.001","3304.9","0.2","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 Cu3 Mo12 N20 O47 P -","- C24 H17 Cu3 Mo12 N20 O47 P -","- C48 H34 Cu6 Mo24 N40 O94 P2 -","2","1","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.0509","0.0488","","","0.1045","0.1053","","","","","","1.208","","","","has coordinates,has disorder","265104","2021-05-11","13:53:02",""
"3000299","22.637","0.002","13.9114","0.0014","20.363","0.003","90","","98.915","0.004","90","","6335.1","1.3","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 Cu3 N20 O48 P W12 -","- C24 H16 Cu3 N20 O48 P W12 -","- C96 H64 Cu12 N80 O192 P4 W48 -","4","0.5","","Shenzhen Chang","Highly Efficient Synthesis of p-Benzoquinones Catalyzed by Robust Two-Dimensional POM-Based Coordination Polymers","To be published in ACS Applied Materials & Interfaces","2021","13","","XXXX","","","","","0.71073","MoKα","","0.0492","0.0449","","","0.0938","0.0955","","","","","","1.216","","","","has coordinates,has disorder","264833","2021-05-04","10:28:32",""
"3000307","8.0865","0.0002","16.0374","0.0007","3.54201","0.00011","90","","101.184","0.003","90","","450.63","0.03","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","dysprosium calcium oxoborate","","","- B3 Ca4 Dy O10 -","- B3 Ca4.001 Dy0.9996 O10 -","- B6 Ca8.002 Dy1.9992 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.024","0.024","","","0.0551","0.0551","","","","","","1.051","","","","has coordinates","269026","2021-09-07","13:57:43",""
"3000308","8.05839","0.00019","15.9814","0.0003","3.51846","0.00014","90","","101.115","0.003","90","","444.62","0.02","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","erbium calcium oxoborate","","","- B3 Ca4 Er O10 -","- B3 Ca4.0002 Er0.9998 O10 -","- B6 Ca8.0004 Er1.9996 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0178","0.0177","","","0.0425","0.0426","","","","","","1.081","","","","has coordinates","269025","2021-09-07","13:56:26",""
"3000309","8.0942","0.0004","16.0133","0.0004","3.55682","0.00009","90","","101.254","0.003","90","","452.15","0.03","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","gadolinium calcium oxoborate","","","- B3 Ca4 Gd O10 -","- B3 Ca3.9693 Gd1.0307 O10 -","- B6 Ca7.9386 Gd2.0614 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0195","0.0194","","","0.0412","0.0413","","","","","","1.059","","","","has coordinates","269027","2021-09-07","13:59:01",""
"3000310","8.1844","0.0008","16.0893","0.001","3.6306","0.0003","90","","101.369","0.009","90","","468.7","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","lanthanum calcium oxoborate","","","- B3 Ca4 La O10 -","- B3 Ca4.002 La0.998 O10 -","- B6 Ca8.004 La1.996 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0176","0.0175","","","0.0408","0.0409","","","","","","1.035","","","","has coordinates","269028","2021-09-07","14:00:04",""
"3000311","8.11934","0.00017","16.043","0.0004","3.59765","0.00011","90","","101.378","0.002","90","","459.41","0.02","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","neodymium calcium oxoborate","","","- B3 Ca4 Nd O10 -","- B3 Ca4.0008 Nd0.9992 O10 -","- B6 Ca8.0016 Nd1.9984 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0201","0.02","","","0.0433","0.0433","","","","","","1.047","","","","has coordinates","269029","2021-09-07","14:01:16",""
"3000312","8.1267","0.0006","16.0711","0.0016","3.5862","0.0003","90","","101.315","0.007","90","","459.27","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","samarium calcium oxoborate","","","- B3 Ca4 O10 Sm -","- B3 Ca4 O10 Sm -","- B6 Ca8 O20 Sm2 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0336","0.0335","","","0.0793","0.0794","","","","","","1.075","","","","has coordinates","269030","2021-09-07","14:03:02",""
"3000313","8.0737","0.0002","16.0088","0.0005","3.52827","0.00011","90","","101.166","0.003","90","","447.4","0.02","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","yttrium calcium oxoborate","","","- B3 Ca4 O10 Y -","- B3 Ca4.0018 O10 Y0.9982 -","- B6 Ca8.0036 O20 Y1.9964 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0285","0.0277","","","0.0653","0.0661","","","","","","1.062","","","","has coordinates","269031","2021-09-07","14:04:24",""
"3500115","8.004","0.002","7.291","0.003","16.881","0.004","90","","97.378","0.001","90","","977","0.5","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3 propanediammonium tetrachloropalladate (II)","propane-1,3-diaminium tetrachloro-palladium(ii)","","- C3 H12 Cl4 N2 Pd -","- C3 H12 Cl4 N2 Pd -","- C12 H48 Cl16 N8 Pd4 -","4","1","","Maris, Thierry; Zouari, Ridha; Chanh, N'Guyen Ba","1,3 propanediammonium tetrachloropalladate (II)","Personal communication to COD","2021","","","","","","","","0.7107","MoKα","","0.0491","0.0244","","","0.0506","0.0558","","","","","","1.082","","","","has coordinates,has Fobs","262325","2021-03-01","14:37:34",""
"3500116","7.383","0.002","10.31","0.003","37.729","0.003","90","","95.559","0.01","90","","2858.4","1.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(n-decylammonium) tetrachloro-cobalt(ii)","bis(decan-1-aminium) tetrachloro-cobalt(ii)","","- C20 H48 Cl4 Co N2 -","- C20 H48 Cl4 Co N2 -","- C80 H192 Cl16 Co4 N8 -","4","1","","Thierry Maris","bis(n-decylammonium) tetrachlorocobaltate(II)","Personal communication to COD","2021","","","","","","","","1.5418","CuKα","","","0.0517","","","0.1224","","","","","","","1.2163","","","","has coordinates","260391","2021-01-03","17:10:41",""
"3500117","4.6733","0.0011","5.8249","0.0005","27.492","0.004","90","","92.949","0.014","90","","747.4","0.2","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Thiopheneacetic acid, 2-nitro-","","- C6 H5 N O4 S -","- C6 H5 N O4 S -","- C24 H20 N4 O16 S4 -","4","1","","Thierry Maris","3-Thiopheneacetic acid, 2-nitro-","Personal communication to COD","2021","","","","","","","","1.5418","CuKα","","0.0363","0.0359","","","0.0963","0.0966","","","","","","1.08","","","","has coordinates,has Fobs","260398","2021-01-03","22:23:00",""
"3500118","5.7987","","5.7987","","64.7643","","90","","90","","120","","1885.94","","293","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al2 Ca2 O10.5 -","- Al2 Ca2 O10.5 -","- Al12 Ca12 O63 -","6","0.166667","","Joachim Angelkort; Natalie Froese; Marcel Mix","","Personal communication to COD","2021","","","","","","","","1.54187","X-ray","","","","","","","","","","","","","","","","","has coordinates","266737","2021-06-28","11:20:52",""
"3500119","5.087","","8.82","","7.7762","","90","","102.43","","90","","340.719","","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C Al4 Li2 O15 -","- C Al4 Li2 O18 -","- C Al4 Li2 O18 -","1","0.125","","Joachim Angelkort; Natalie Froese; Marcel Mix","","Personal communication to COD","2021","","","","","","","","1.54187","X-ray","","","","","","","","","","","","","","","","","has coordinates","266776","2021-06-29","10:31:54",""
"4003853","4.851","0.003","15.583","0.013","31.935","0.019","84.3","0.07","89.69","0.06","88.27","0.05","2401","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H59 N6 O6 S6 -","- C45 H59 N6 O6 S6 -","- C90 H118 N12 O12 S12 -","2","1","","Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing","High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach","Chemistry of Materials","2021","33","2","580","588","10.1021/acs.chemmater.0c03720","","","1.54178","CuKα","","0.1999","0.1026","","","0.313","0.3801","","","","","","0.964","","","","has coordinates","261498","2021-02-04","03:30:00",""
"4003854","4.9878","0.0004","9.7409","0.0008","19.1522","0.0017","101.842","0.003","94.838","0.003","103.9","0.002","875.26","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H38 Br2 N4 O4 S4 -","- C30 H38 Br2 N4 O4 S4 -","- C30 H38 Br2 N4 O4 S4 -","1","0.5","","Liu, Bingyong; Li, Jing; Zeng, Wenwu; Yang, Wei; Yan, Hui; Li, Da-cheng; Zhou, Yinhua; Gao, Xike; Zhang, Qing","High-Performance Organic Semiconducting Polymers by a Resonance-Assisted Hydrogen Bonding Approach","Chemistry of Materials","2021","33","2","580","588","10.1021/acs.chemmater.0c03720","","","1.54178","CuKα","","0.0556","0.0484","","","0.1619","0.1673","","","","","","1.062","","","","has coordinates","261498","2021-02-04","03:30:02",""
"4003855","4.015","0.0018","4.015","0.0018","11.766","0.005","90","","90","","120","","164.26","0.13","300","","300","","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- As Na Sn -","- As Na Sn -","- As2 Na2 Sn2 -","2","0.166667","","Ochs, Andrew M.; Gorai, Prashun; Wang, Yaxian; Scudder, Michael R.; Koster, Karl; Moore, Curtis E.; Stevanovic, Vladan; Heremans, Joseph P.; Windl, Wolfgang; Toberer, Eric S.; Goldberger, Joshua E.","Computationally Guided Discovery of Axis-Dependent Conduction Polarity in NaSnAs Crystals","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04030","","x-ray","0.71073","MoKα","K-L~3~","0.0329","0.031","","","0.0736","0.0742","","","","","","1.635","","","","has coordinates","261003","2021-01-16","23:14:35",""
"4003856","3.8701","0.0001","15.2836","0.0005","5.8211","0.0002","90","","93.608","0.003","90","","343.63","0.019","160","0.1","160","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C18 H12 O4 -","2","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.0396","0.0343","","","0.087","0.0904","","","","","","1.05","","","","has coordinates","261357","2021-02-01","23:36:14",""
"4003857","15.5258","0.0015","5.669","0.0004","7.9119","0.0006","90","","90","","90","","696.37","0.1","303.2","0.1","303.2","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.0728","0.0689","","","0.18","0.1998","","","","","","1.183","","","","has coordinates","261358","2021-02-01","23:36:35",""
"4003858","15.5205","0.0009","5.663","0.0002","7.9163","0.0005","90","","90","","90","","695.78","0.06","293","","293","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Zhang, Keke; Sun, Changquan Calvin; Liu, Yu; Wang, Chenguang; Shi, Peng; Xu, Jun; Wu, Songgu; Gong, Junbo","Structural Origins of Elastic and 2D Plastic Flexibility of Molecular Crystals Investigated with Two Polymorphs of Conformationally Rigid Coumarin","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04560","","x-ray","1.54184","CuKα","","0.062","0.0523","","","0.1272","0.1393","","","","","","1.06","","","","has coordinates","261359","2021-02-01","23:36:51",""
"4003859","8.8931","0.0004","10.3264","0.0005","14.3451","0.0007","103.923","0.003","92.734","0.003","106.388","0.003","1217.22","0.1","299","2","299.46","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O2 S2 -","- C26 H30 N2 O2 S2 -","- C52 H60 N4 O4 S4 -","2","1","","Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I.","Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers","Chemistry of Materials","2021","33","2","706","718","10.1021/acs.chemmater.0c04123","","","1.54178","CuKα","","0.0588","0.0482","","","0.1298","0.139","","","","","","1.041","","","","has coordinates,has disorder","261427","2021-02-03","22:32:13",""
"4003860","4.5558","0.0004","15.5895","0.0015","34.87","0.003","90","","93.504","0.007","90","","2471.9","0.4","299","2","299.49","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N2 O S3 -","- C26 H30 N2 O S3 -","- C104 H120 N8 O4 S12 -","4","1","","Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I.","Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers","Chemistry of Materials","2021","33","2","706","718","10.1021/acs.chemmater.0c04123","","","1.54178","CuKα","","0.0861","0.0537","","","0.1312","0.1482","","","","","","1.027","","","","has coordinates,has disorder","261428","2021-02-03","22:32:37",""
"4003861","4.5636","0.0011","4.5636","0.0011","7.228","0.002","90","","90","","120","","130.37","0.06","298.15","","298.15","","","","101325","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.0152","0.0152","","","0.0323","0.0323","","","","","","1.182","","","","has coordinates","261429","2021-02-03","22:33:00",""
"4003862","4.4808","0.0003","4.4808","0.0003","7.066","0.003","90","","90","","120","","122.86","0.05","298.15","","298.15","","","","3210000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1687","0.0924","","","0.1759","0.3306","","","","","","1.634","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003863","4.442","0.0019","4.442","0.0019","7.001","0.006","90","","90","","120","","119.63","0.13","298.15","","298.15","","","","4880000","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg3 Sb2 -","1","0.0833333","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.1006","0.0826","","","0.2198","0.286","","","","","","1.511","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003864","15.118","0.007","4.2228","0.0007","7.7014","0.0012","90","","117.56","0.02","90","","435.9","0.2","298.15","","298.15","","","","7740000","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Mg3 Sb2 -","- Mg3 Sb2 -","- Mg12 Sb8 -","4","0.5","","Calderón-Cueva, Mario; Peng, Wanyue; Clarke, Samantha M.; Ding, Jingxuan; Brugman, Benjamin L.; Levental, Gill; Balodhi, Ashiwini; Rylko, Megan; Delaire, Olivier; Walsh, James P. S.; Dorfman, Susannah M.; Zevalkink, Alexandra","Anisotropic Structural Collapse of Mg3Sb2 and Mg3Bi2 at High Pressure","Chemistry of Materials","2021","33","2","567","573","10.1021/acs.chemmater.0c03678","","","0.4335","synchrotron","","0.196","0.1272","","","0.3127","0.4647","","","","","","1.933","","","","has coordinates","261429","2021-02-03","22:33:01",""
"4003865","10.6652","0.0007","11.9991","0.0008","16.053","0.0008","90","","90","","90","","2054.3","0.2","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C56 H72 Cl3.08 F0.92 Mn4 N36 P4 -","4","1","","He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong","Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution","Chemistry of Materials","2021","33","2","799","805","10.1021/acs.chemmater.0c04735","","","0.71073","MoKα","","0.1347","0.1282","","","0.2785","0.2796","","","","","","1.017","","","","has coordinates","261430","2021-02-03","22:34:49",""
"4003866","43.827","0.0011","21.4937","0.0006","24.7957","0.0006","90","","90","","90","","23357.7","1","173","2","173","2","","","","","","","","5","F m m 2","F 2 -2","42","Hf-TCBPA-MOF","","","- C81 H56 Hf6 N2 O36 -","- C81 H56 Hf6 N2 O36 -","- C648 H448 Hf48 N16 O288 -","8","0.5","","Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng","Metal‒Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c03457","","","0.71073","MoKα","","0.0699","0.0504","","","0.1367","0.1449","","","","","","1.115","","","","has coordinates","261980","2021-02-15","23:36:50",""
"4003867","13.088","0.003","13.088","0.003","9.592","0.005","90","","90","","120","","1422.9","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- B6 Ba7 O18 Sn -","- B6 Ba7 O18 Sn -","- B18 Ba21 O54 Sn3 -","3","0.166667","","Lin, Yuan; Wang, Guan-E; Li, Lina; Hu, Chun-Li; Lin, Shisheng; Mao, Jiang-Gao","Rare-Earth-Free Barium Borostannate with Deep-Blue Light Emission","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00002","","","0.71073","MoKα","","0.0319","0.029","","","0.0689","0.0696","","","","","","1.195","","","","has coordinates","262080","2021-02-18","23:18:12",""
"4003868","8.5642","0.0017","11.884","0.002","14.312","0.003","65.92","0.03","73.01","0.03","83.76","0.03","1271.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H20 Br8 N8 Pb2 -","- C4 H20 Br8 N8 Pb2 -","- C8 H40 Br16 N16 Pb4 -","2","1","","Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.","FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00382","","","0.80246","synchrotron","","0.1188","0.1115","","","0.2395","0.2434","","","","","","1.065","","","","has coordinates","262135","2021-02-22","23:16:02",""
"4003869","8.5642","0.0017","11.884","0.002","14.312","0.003","65.92","0.03","73.01","0.03","83.76","0.03","1271.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 Br8 N8 Pb2 -","- C4 Br8 N8 Pb2 -","- C8 Br16 N16 Pb4 -","2","1","","Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.","FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00382","","x-ray","0.80246","synchrotron","","0.1677","0.162","","","0.3524","0.3545","","","","2.77","2.77","2.5","","","","has coordinates","262136","2021-02-22","23:16:28",""
"4003870","13.1313","0.0009","7.9763","0.0006","11.7972","0.0008","90","","91.4752","0.0015","90","","1235.22","0.15","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C8 H40 Br16 N16 Pb4 -","4","1","","Fateev, Sergey A.; Petrov, Andrey A.; Marchenko, Ekaterina I.; Zubavichus, Yan V.; Khrustalev, Victor N.; Petrov, Andrey V.; Aksenov, Sergey M.; Goodilin, Eugene A.; Tarasov, Alexey B.","FA2PbBr4: Synthesis, Structure, and Unusual Optical Properties of Two Polymorphs of Formamidinium-Based Layered (110) Hybrid Perovskite","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00382","","","0.71073","MoKα","","0.0515","0.033","","","0.072","0.0785","","","","","","1.034","","","","has coordinates,has disorder","262137","2021-02-22","23:16:51",""
"4003871","4.0067","0.0002","3.9793","0.0002","6.112","0.0003","90","","90","","90","","97.449","0.008","295","2","295.15","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Cu2.9 Te2 -","- Cu1.446 Te -","- Cu2.892 Te2 -","2","0.25","","Yahyaoglu, Mujde; Ozen, Melis; Prots, Yurii; El Hamouli, Oussama; Tshitoyan, Vahe; Ji, Huiwen; Burkhardt, Ulrich; Lenoir, Bertrand; Snyder, G. Jeffrey; Jain, Anubhav; Candolfi, Christophe; Aydemir, Umut","Phase-Transition-Enhanced Thermoelectric Transport in Rickardite Mineral Cu3‒xTe2","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04839","","","0.71073","MoKα","","0.024","0.024","","","0.059","0.06","","","","","","1.197","","","","has coordinates","262168","2021-02-23","23:20:37",""
"4003872","11.881","0.002","11.881","0.002","29.696","0.005","90","","90","","120","","3630.2","1.1","298.15","","298.15","","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C0.8 H1.5 F0.09 N0.2 O2 Si -","- C0.8 H1.5 F0.088 N0.2 O2 Si -","- C48 H90 F5.28 N12 O120 Si60 -","60","5","","Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.","Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04573","","","1.54178","CuKα","","0.0613","0.0571","","","0.1367","0.1391","","","","","","1.074","","","","has coordinates,has disorder","262240","2021-02-25","23:23:37",""
"4003873","11.9347","0.0018","11.9347","0.0018","29.53","0.004","90","","90","","120","","3642.6","0.9","298","","298","","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C8 H15 F0.89 N2 O20 Si10 -","- C8 H15 F0.893 N2 O20 Si10 -","- C48 H90 F5.358 N12 O120 Si60 -","6","0.5","","Kang, Jong Hun; McCusker, Lynne B.; Deem, Michael W.; Baerlocher, Christian; Davis, Mark E.","Further Investigations of Racemic and Chiral Molecular Sieves of the STW Topology","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04573","","","1.54178","CuKα","","0.0382","0.0347","","","0.0795","0.0807","","","","","","1.088","","","","has coordinates,has disorder","262241","2021-02-25","23:24:10",""
"4003874","18.6213","0.0004","4.872","0.0001","9.8741","0.0002","90","","90","","90","","895.81","0.03","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F4 Mo O2 Sr -","- F4 Mo O2 Sr -","- F32 Mo8 O16 Sr8 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0315","0.0267","","","0.0536","0.0553","","","","","","1.006","","","","has coordinates","262242","2021-02-25","23:25:10",""
"4003875","19.436","0.0005","5.00774","0.00014","10.2481","0.0003","90","","90","","90","","997.45","0.05","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- Ba F4 Mo O2 -","- Ba F4 Mo O2 -","- Ba8 F32 Mo8 O16 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0445","0.0438","","","0.111","0.1125","","","","","","1.05","","","","has coordinates","262242","2021-02-25","23:25:11",""
"4003876","19.0225","0.0005","4.9121","0.0001","9.9183","0.0003","90","","90","","90","","926.77","0.04","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- F4 Mo O2 Pb -","- F4 Mo O2 Pb -","- F32 Mo8 O16 Pb8 -","8","2","","Jo, Hongil; Lee, Min Hyung; Ok, Kang Min","Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00074","","","0.71073","MoKα","","0.0226","0.0207","","","0.0506","0.0516","","","","","","1.129","","","","has coordinates","262242","2021-02-25","23:25:11",""
"4003877","13.6603","0.0006","13.6603","0.0006","9.763","0.0005","90","","90","","120","","1577.74","0.13","300","2","299.93","","","","","","","","","4","P 63 2 2","P 6c 2c","182","","","","- B12 Se12 Sn3.88 Te3.53 -","- B12 Se12 Sn3.874 Te3.528 -","- B24 Se24 Sn7.748 Te7.056 -","2","0.166667","","Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.","Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04503","","","1.54178","CuKα","","0.023","0.0215","","","0.0505","0.0508","","","","","","1.153","","","","has coordinates","262280","2021-02-26","23:26:46",""
"4003878","13.5927","0.0007","13.5927","0.0007","9.8167","0.0005","90","","90","","120","","1570.75","0.14","292.98","","292.98","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","","","- B12 Se15.8 Sn4 -","- B12 Se15.795 Sn4 -","- B24 Se31.59 Sn8 -","2","0.166667","","Chica, Daniel G.; Spanopoulos, Ioannis; Hao, Shiqiang; Wolverton, Chris; Kanatzidis, Mercouri G.","Sn4−δB12Se12[Qx], Q = Se, Te, a B12 Cluster Tunnel Framework Hosting Neutral Chalcogen Chains","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04503","","","0.71073","MoKα","","0.019","0.0166","","","0.0372","0.0378","","","","","","1.048","","","","has coordinates","262281","2021-02-26","23:27:19",""
"4003879","11.8864","0.0007","11.9974","0.0007","13.1689","0.0008","91.86","0.001","96.886","0.001","97.367","0.001","1846.84","0.19","175","","175","","","","","","","","","7","P 1","P 1","1","","","","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","- C40 H46 Co2 Ge N8 O58 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","","0.71073","MoKα","","0.0307","0.0298","","","0.0739","0.0744","","","","","","1.048","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003880","11.8584","0.0004","12.082","0.0006","13.0866","0.0005","92.367","0.004","96.922","0.003","98.281","0.004","1838.6","0.13","298","","298","","","","","","","","","7","P 1","P 1","1","","","","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","- C40 H44 Co2 Ge N8 O55 W12 -","1","1","","Chen, Bin; Huang, You-Ren; Song, Kai-Yue; Lin, Xiang-Ling; Li, Hao-Hong; Chen, Zhi-Rong","Molecular Nonvolatile Memory Based on [α-GeW12O40]4‒/Metalloviologen Hybrids Can Work at High Temperature Monitored by Chromism","Chemistry of Materials","2021","33","6","2178","2186","10.1021/acs.chemmater.1c00090","","x-ray","0.71073","MoKα","","0.0534","0.0393","","","0.0834","0.0881","","","","","","1.005","","","","has coordinates","263592","2021-04-04","10:00:32",""
"4003881","6.137","0.004","7.394","0.005","5.94","0.004","90","","90","","90","","269.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cl N Zn2 -","- Cl N Zn2 -","- Cl4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0267","0.0253","","","0.0573","0.0578","","","","","","1.111","","","","has coordinates","262419","2021-03-03","23:21:51",""
"4003882","6.222","0.007","7.65","0.008","6.094","0.007","90","","90","","90","","290.1","0.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Br N Zn2 -","- Br N Zn2 -","- Br4 N4 Zn8 -","4","1","","Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning","Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials","Chemistry of Materials","2021","33","4","1462","1470","10.1021/acs.chemmater.0c04772","","","0.71073","MoKα","","0.0319","0.0302","","","0.066","0.0667","","","","","","1.016","","","","has coordinates","262420","2021-03-03","23:22:13",""
"4003883","10.5204","0.0008","6.0756","0.0004","9.953","0.0007","90","","90","","90","","636.17","0.08","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Cl2 Li6 O4 Si -","- Cl2 Li6 O4 Si -","- Cl8 Li24 O16 Si4 -","4","1","","Morscher, Alexandra; Dyer, Matthew S.; Duff, Benjamin B.; Han, Guopeng; Gamon, Jacinthe; Daniels, Luke M.; Dang, Yun; Surta, T. Wesley; Robertson, Craig M.; Blanc, Frédéric; Claridge, John B.; Rosseinsky, Matthew J.","Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking","Chemistry of Materials","2021","33","6","2206","2217","10.1021/acs.chemmater.1c00157","","x-ray","0.71073","MoKα","","0.075","0.053","","","0.1189","0.1279","","","","","","1.11","","","","has coordinates","263594","2021-04-04","10:00:50",""
"4003884","15.465","0.005","7.409","0.002","13.518","0.004","90","","106.912","0.003","90","","1481.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N6 S4 -","- C32 H30 N6 S4 -","- C64 H60 N12 S8 -","2","0.5","","Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru","N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist","Chemistry of Materials","2021","33","6","2218","2228","10.1021/acs.chemmater.1c00204","","","0.71073","MoKa","","0.0427","0.0335","","","0.0788","0.084","","","","","","0.962","","","","has coordinates","263593","2021-04-04","10:00:41",""
"4003885","4.6536","0.0005","16.9349","0.0016","18.5594","0.0018","108.705","0.001","94.538","0.001","97.258","0.001","1363.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N4 S4 -","- C30 H32 N4 S4 -","- C60 H64 N8 S8 -","2","1","","Iguchi, Keitaro; Mikie, Tsubasa; Saito, Masahiko; Komeyama, Kimihiro; Seo, Takuji; Ie, Yutaka; Osaka, Itaru","N-type Semiconducting Polymers Based on Dicyano Naphthobisthiadiazole: High Electron Mobility with Unfavorable Backbone Twist","Chemistry of Materials","2021","33","6","2218","2228","10.1021/acs.chemmater.1c00204","","","0.71073","MoKa","","0.0598","0.0385","","","0.0847","0.0939","","","","","","0.984","","","","has coordinates","263593","2021-04-04","10:00:41",""
"4003886","4.4815","0.0003","21.6649","0.0016","4.522","0.0003","90","","90","","90","","439.05","0.05","293","","293","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","","- K La Mn0.65 Te4 -","- K La Mn0.65 Te4 -","- K2 La2 Mn1.3 Te8 -","2","0.25","","Bao, Jin-Ke; Malliakas, Christos D.; Zhang, Chi; Cai, Songting; Chen, Haijie; Rettie, Alexander J. E.; Fisher, Brandon L.; Chung, Duck Young; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Quasi-Two-Dimensional Heterostructures (KM1 ‒ xTe)(LaTe3) (M = Mn and Zn) with Charge Density Waves","Chemistry of Materials","2021","33","6","2155","2164","10.1021/acs.chemmater.0c04923","","x-ray","0.71075","MoKα","","0.0728","0.0535","","","0.1317","0.1341","","","","4.09","4.09","3.22","","","","has coordinates","263596","2021-04-04","10:01:10",""
"4003887","10.9694","0.0011","8.41","0.0008","16.0703","0.0016","90","","107.488","0.003","90","","1414","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H28 Co5 N2 O24 S2 -","- C10 H28 Co5 N2 O24 S2 -","- C20 H56 Co10 N4 O48 S4 -","2","0.5","","Perez, Jem Valerie; Sorolla, Maurice; Wang, Xiqu; Jacobson, Allan J.","“Stagomé” Lattice: The Missing Member of the Star-Kagomé Family","Chemistry of Materials","2021","33","6","2173","2177","10.1021/acs.chemmater.1c00070","","","0.71073","MoKα","","0.0191","0.0174","","","0.044","0.0448","","","","","","1.051","","","","has coordinates","263595","2021-04-04","10:00:57",""
"4003888","8.018667","0.000016","8.018667","0.000016","3.934816","0.000014","90","","90","","120","","219.109","0.001","300","","300","","","","","","","","crystals grown from high temperature aluminium melt","3","P 6/m m m","-P 6 2","191","Barium Iron Aluminum","","","- Al9 Ba Fe2 -","- Al9 Ba Fe1.968 -","- Al9 Ba Fe1.968 -","1","0.0416667","","Meier, William R.; Chakoumakos, Bryan C.; Okamoto, Satoshi; McGuire, Michael A.; Hermann, Raphaël P.; Samolyuk, German D.; Gao, Shang; Zhang, Qiang; Stone, Matthew B.; Christianson, Andrew D.; Sales, Brian C.","A Catastrophic Charge Density Wave in BaFe2Al9","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00005","powder diffraction","neutron","","Neutron","","0.0119","0.0115","","0.0162","0.0158","","","","2.8013","","","","","","","has coordinates","263047","2021-03-15","23:19:19",""
"4003889","50.528","0.007","10.1868","0.0012","24.059","0.003","90","","113.034","0.002","90","","11396","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H65 N5 O2 S5 -","- C54 H65 N5 O2 S5 -","- C432 H520 N40 O16 S40 -","8","1","","Davies, Daniel William; Park, Sang Kyu; Kafle, Prapti; Chung, Hyunjoong; Yuan, Dafei; Strzalka, Joseph W.; Mannsfeld, Stefan C. B.; Wang, SuYin Grass; Chen, Yu-Sheng; Gray, Danielle L.; Zhu, Xiaozhang; Diao, Ying","Radically Tunable n-Type Organic Semiconductor via Polymorph Control","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04678","","","0.41328","synchrotron","","0.0848","0.0766","","","0.2374","0.2507","","","","","","1.046","","","","has coordinates,has disorder","263188","2021-03-19","23:14:31",""
"4003890","12.0736","0.0004","6.3321","0.0002","12.1366","0.0003","90","","101.905","0.003","90","","907.9","0.05","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cl6 Rb Sb -","- Cl6 Rb Sb -","- Cl24 Rb4 Sb4 -","4","0.5","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0397","0.0347","","","0.0907","0.0954","","","","","","1.043","","","","has coordinates","263261","2021-03-23","23:17:33",""
"4003891","12.9567","0.0001","12.9567","0.0001","111.713","0.0014","90","","90","","120","","16241.4","0.3","293","2","293","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Bi2.5 Cl54 Rb23 Sb6.5 -","- Bi2.4955 Cl53.9991 Rb22.9997 Sb6.5045 -","- Bi14.973 Cl323.995 Rb137.998 Sb39.027 -","6","0.333333","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0808","0.0582","","","0.1029","0.1111","","","","","","1.095","","","","has coordinates,has disorder","263262","2021-03-23","23:18:12",""
"4003892","22.3435","0.0007","12.9057","0.0004","37.0625","0.0013","90","","90","","90","","10687.3","0.6","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cl54 Rb23 Sb9 -","- Cl54 Rb23 Sb9 -","- Cl216 Rb92 Sb36 -","4","0.25","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","","0.71073","MoKα","","0.1521","0.1322","","","0.3133","0.3279","","","","","","1.191","","","","has coordinates","263263","2021-03-23","23:18:41",""
"4003893","14.0332","0.0006","10.1091","0.0004","7.2292","0.0003","90","","90","","90","","1025.56","0.07","300","","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl5 O Rb2 Sb -","- Cl5 O Rb2 Sb -","- Cl20 O4 Rb8 Sb4 -","4","0.5","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","x-ray","0.71073","MoKα","","0.0443","0.0389","","","0.0896","0.093","","","","","","1.171","","","","has coordinates","263264","2021-03-23","23:19:02",""
"4003894","12.9752","0.0006","12.9752","0.0006","112.438","0.007","90","","90","","120","","16393.5","1.5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- Bi6.62 Cl54 Rb23 Sb2.38 -","- Bi6.623 Cl53.9991 Rb22.9997 Sb2.377 -","- Bi39.738 Cl323.995 Rb137.998 Sb14.262 -","6","0.333333","","Benin, Bogdan M.; McCall, Kyle M.; Wörle, Michael; Borgeaud, Dominique; Vonderach, Thomas; Sakhatskyi, Kostiantyn; Yakunin, Sergii; Günther, Detlef; Kovalenko, Maksym V.","Lone-Pair-Induced Structural Ordering in the Mixed-Valent 0D Metal-Halides Rb23BiIIIxSbIII7‒xSbV2Cl54 (0 ≤ x ≤ 7)","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04491","","","0.71073","MoKα","","0.1204","0.0864","","","0.2231","0.2438","","","","","","1.072","","","","has coordinates,has disorder","263265","2021-03-23","23:19:36",""
"4003895","17.3681","0.001","6.0644","0.0003","5.9834","0.0003","90","","90","","90","","630.21","0.06","100","0.3","100","0.3","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H14 Br4 N4 Pb -","- C2 H14 Br4 N4 Pb -","- C4 H28 Br8 N8 Pb2 -","2","0.5","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0258","0.0254","","","0.0651","0.0654","","","","","","1.09","","","","has coordinates","263496","2021-03-31","22:28:33",""
"4003896","17.8177","0.001","6.0555","0.0003","6.0155","0.0003","90","","90","","90","","649.04","0.06","300.1","0.2","300.1","0.2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C2 H14 Br4 N4 Pb -","- C2 H14 Br4 N4 Pb -","- C4 H28 Br8 N8 Pb2 -","2","0.5","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.032","0.028","","","0.0628","0.0644","","","","","","1.022","","","","has coordinates","263497","2021-03-31","22:28:50",""
"4003897","18.1597","0.0012","6.0526","0.0003","6.0368","0.0003","90","","90","","90","","663.53","0.06","380.1","0.2","380.1","0.2","","","","","","","","5","P m n m :2","-P 2c 2a","59","","","","- C2 H14 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C4 H20 Br8 N8 Pb2 -","2","0.25","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0448","0.0396","","","0.1025","0.1053","","","","","","1.145","","","","has coordinates","263498","2021-03-31","22:29:13",""
"4003898","18.0557","0.0012","6.0554","0.0003","6.0295","0.0003","90","","90","","90","","659.23","0.06","360.2","0.3","360.2","0.3","","","","","","","","5","P m n m :2","-P 2c 2a","59","","","","- C2 H14 Br4 N4 Pb -","- C2 H10 Br4 N4 Pb -","- C4 H20 Br8 N8 Pb2 -","2","0.25","","Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam","[Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04440","","x-ray","0.71073","MoKα","","0.0487","0.0455","","","0.1335","0.1362","","","","","","1.179","","","","has coordinates","263499","2021-03-31","22:29:34",""
"4003899","5.8392","0.0003","5.8392","0.0003","14.5176","0.0008","90","","90","","120","","428.68","0.04","299","2","299","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","- Co4 K2 O22 V9 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0215","0.0213","","","0.0601","0.0602","","","","","","1.215","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003900","5.8532","0.0003","5.8532","0.0003","14.2601","0.0007","90","","90","","120","","423.1","0.04","300","2","300","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","- Ba2 Fe11 Ge2 O22 -","1","0.0833333","","Smart, Megan M.; Smith Pellizzeri, Tiffany M.; Morrison, Gregory; McMillen, Colin D.; zur Loye, Hans-Conrad; Kolis, Joseph W.","Ferrite Materials Containing Kagomé Layers: Chemistry of Ba2Fe11Ge2O22 and K2Co4V9O22 Hexaferrites","Chemistry of Materials","2021","33","7","2258","2266","10.1021/acs.chemmater.0c03852","","","0.71073","MoKα","","0.0264","0.0261","","","0.0818","0.0819","","","","","","1.191","","","","has coordinates","264820","2021-05-04","00:49:29",""
"4003901","4.3706","0.0002","4.3706","0.0002","9.2475","0.0007","90","","90","","90","","176.647","0.018","100","1","100","1","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Gadolinium bismutide telluride","","- Bi Gd Te -","- Bi Gd Te -","- Bi2 Gd2 Te2 -","2","0.125","","Gebauer, Paul; Poddig, Hagen; Corredor-Bohorquez, Laura T.; Menshchikova, Tatiana V.; Rusinov, Igor P.; Golub, Pavlo; Caglieris, Federico; Benndorf, Christopher; Lindemann, Tobias; Chulkov, Evgueni V.; Wolter, Anja U. B.; Büchner, Bernd; Doert, Thomas; Isaeva, Anna","Heavy-Atom Antiferromagnet GdBiTe: An Interplay of Magnetism and Topology in a Symmetry-Protected Topological Semimetal","Chemistry of Materials","2021","33","7","2420","2435","10.1021/acs.chemmater.0c04649","","","0.71073","MoKα","","0.0158","0.0149","","","0.0323","0.0324","","","","","","1.106","","","","has coordinates","264819","2021-05-04","00:49:18",""
"4003902","11.8656","0.0006","11.8656","0.0006","11.8656","0.0006","90","","90","","90","","1670.59","0.15","120","2","120","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.8 P4 -","- Ga Li8.8005 P4 -","- Ga8 Li70.404 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0597","0.0249","","","0.0404","0.0487","","","","","","1.134","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003903","11.8804","0.0006","11.8804","0.0006","11.8804","0.0006","90","","90","","90","","1676.85","0.15","200","2","200","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.85 P4 -","- Ga Li8.8505 P4 -","- Ga8 Li70.804 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0665","0.0277","","","0.046","0.0558","","","","","","1.111","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003904","11.8624","0.0006","11.8624","0.0006","11.8624","0.0006","90","","90","","90","","1669.24","0.15","95","2","95","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.8 P4 -","- Ga Li8.7995 P4 -","- Ga8 Li70.396 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.06","0.0256","","","0.0464","0.0563","","","","","","1.142","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003905","11.9053","0.0007","11.9053","0.0007","11.9053","0.0007","90","","90","","90","","1687.41","0.17","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.6 P4 -","- Ga Li8.595 P4 -","- Ga8 Li68.76 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0816","0.0307","","","0.0513","0.0662","","","","","","1.096","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003906","11.8704","0.0006","11.8704","0.0006","11.8704","0.0006","90","","90","","90","","1672.62","0.15","150","2","150","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.84 P4 -","- Ga Li8.8375 P4 -","- Ga8 Li70.7 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0627","0.0253","","","0.0435","0.0532","","","","","","1.132","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003907","11.8907","0.0006","11.8907","0.0006","11.8907","0.0006","90","","90","","90","","1681.21","0.15","250","2","250","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","nonalithium gallium tetraphosphide","","- Ga Li8.81 P4 -","- Ga Li8.813 P4 -","- Ga8 Li70.504 P32 -","8","0.333333","","Restle, Tassilo M. F.; Sedlmeier, Christian; Kirchhain, Holger; Klein, Wilhelm; Raudaschl-Sieber, Gabriele; van Wüllen, Leo; Fässler, Thomas F.","Fast Lithium-Ion Conduction in Phosphide Li9GaP4","Chemistry of Materials","2021","33","8","2957","2966","10.1021/acs.chemmater.1c00504","","","0.71073","MoKα","","0.0727","0.0285","","","0.0459","0.0566","","","","","","1.119","","","","has coordinates","264817","2021-05-04","00:48:53",""
"4003908","11.9232","0.0014","11.9232","","16.931","0.002","90","","90","","90","","2407","0.4","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.48 Mn1.09 Sb9 -","- Ca10.475 Mn1.076 Sb9 -","- Ca41.9 Mn4.304 Sb36 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0437","0.0323","","","0.0642","0.0672","","","","","","1.018","","","","has coordinates","263919","2021-04-06","22:29:39",""
"4003909","11.9235","0.0019","11.9235","","17.186","0.003","90","","90","","90","","2443.3","0.6","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca11.01 In0.35 Sb9 -","- Ca11.009 In0.354 Sb9 -","- Ca44.036 In1.416 Sb36 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0615","0.0417","","","0.0826","0.0895","","","","","","1.032","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003910","11.877","0.004","11.877","","17.239","0.006","90","","90","","90","","2431.8","1.2","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.91 Sb9 Zn0.56 -","- Ca10.913 Sb9 Zn0.562 -","- Ca43.652 Sb36 Zn2.248 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0754","0.0449","","","0.0873","0.0977","","","","","","1.019","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003911","11.8911","0.0004","11.8911","","17.1962","0.0006","90","","90","","90","","2431.51","0.12","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.91 Ga0.38 Sb9 -","- Ca10.9151 Ga0.3759 Sb9 -","- Ca43.6604 Ga1.5036 Sb36 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0217","0.0206","","","0.0432","0.0435","","","","","","1.211","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003912","11.8295","0.0018","11.8295","","17.246","0.003","90","","90","","90","","2413.4","0.6","200","2","200","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ca10.82 Sb9 Zn0.66 -","- Ca10.818 Sb9 Zn0.657 -","- Ca43.272 Sb36 Zn2.628 -","4","0.25","","Ovchinnikov, Alexander; Chanakian, Sevan; Zevalkink, Alexandra; Bobev, Svilen","Ultralow Thermal Conductivity and High Thermopower in a New Family of Zintl Antimonides Ca10MSb9 (M = Ga, In, Mn, Zn) with Complex Structures and Heavy Disorder","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04940","","","0.71073","MoKα","","0.0472","0.0344","","","0.0678","0.072","","","","","","1.022","","","","has coordinates","263919","2021-04-06","22:29:40",""
"4003913","33.4671","0.0002","33.4671","0.0002","21.4175","0.0002","90","","90","","90","","23988.6","0.3","296","2","296","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C126 H102 Co7 O30 -","- C126 H102 Co7 O30 -","- C1008 H816 Co56 O240 -","8","0.5","","Kang, Jaeun; Lee, Myung Jun; Oh, Nam Gue; Shin, Jiehye; Kwon, Seong Jung; Chun, Hyungphil; Kim, Seung-Joo; Yun, Hoseop; Jo, Hongil; Ok, Kang Min; Do, Junghwan","I3O0-Type 3D Framework of Cobalt Cinnamate and Its Efficient Electrocatalytic Activity toward the Oxygen Evolution Reaction","Chemistry of Materials","2021","33","8","2804","2813","10.1021/acs.chemmater.0c04785","","","0.71073","MoKα","","0.0395","0.0291","","","0.0574","0.0611","","","","","","1.024","","","","has coordinates,has disorder","264818","2021-05-04","00:49:06",""
"4003914","23.4935","0.001","23.4935","0.001","10.6077","0.0007","90","","90","","120","","5070.5","0.5","333","","333","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 N O4 Re -","- C8 H16 N O4 Re -","- C144 H288 N18 O72 Re18 -","18","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0868","0.0696","","","0.1844","0.197","","","","","","1.111","","","","has coordinates,has disorder","264488","2021-04-23","22:26:59",""
"4003915","6.2799","0.0004","9.0158","0.0005","8.7582","0.0006","90","","92.448","0.006","90","","495.42","0.05","300","","300","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H14 N O4 Re -","- C7 H14 N O4 Re -","- C14 H28 N2 O8 Re2 -","2","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0424","0.0348","","","0.0643","0.0662","","","","","","0.943","","","","has coordinates","264489","2021-04-23","22:27:23",""
"4003916","23.5948","0.0005","23.5948","0.0005","10.6826","0.0003","90","","90","","120","","5150.4","0.2","300","","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H16 N O4 Re -","- C8 H16 N O4 Re -","- C144 H288 N18 O72 Re18 -","18","1","","Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu","High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.0c04220","","","0.71073","MoKα","","0.0983","0.0743","","","0.205","0.2213","","","","","","1.019","","","","has coordinates","264490","2021-04-23","22:27:46",""
"4003917","8.0451","0.0008","6.8485","0.0005","11.7325","0.001","90","","90","","90","","646.42","0.1","100.01","0.15","100.01","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Ce F2 I2 O6 -","- Ce F2 I2 O6 -","- Ce4 F8 I8 O24 -","4","1","","Zhang, Xiao-Han; Yang, Bing-Ping; Hu, Chun-Li; Chen, Jin; Huang, Qian-Ming; Mao, Jiang-Gao","A New Anhydrous Polar Rare-Earth Iodate Fluoride, Ce(IO3)2F2, Exhibiting a Large Second-Harmonic-Generation Effect and Improved Overall Performance","Chemistry of Materials","2021","33","8","2894","2900","10.1021/acs.chemmater.1c00222","","x-ray","0.71073","MoKα","","0.0306","0.0291","","","0.0632","0.0644","","","","","","1.046","","","","has coordinates","264803","2021-05-03","20:59:35",""
"4003918","9.9594","0.0003","15.4166","0.0005","17.047","0.0005","108.972","0.001","92.537","0.001","101.518","0.001","2408.47","0.13","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H57 N5 O2 S -","- C58 H57 N5 O2 S -","- C116 H114 N10 O4 S2 -","2","1","","Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong","Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines","Chemistry of Materials","2021","33","10","3702","3711","10.1021/acs.chemmater.1c00704","","","1.54178","CuKα","","0.0555","0.0502","","","0.1393","0.1447","","","","","","1.04","","","","has coordinates,has disorder","265753","2021-06-04","00:59:24",""
"4003919","9.0868","0.0002","20.4276","0.0005","20.6493","0.0005","90","","99.422","0.001","90","","3781.25","0.15","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Cl N4 O -","- C43 H47 Cl N4 O -","- C172 H188 Cl4 N16 O4 -","4","1","","Zhang, Di; Chen, Weilong; Zou, Jie; Luo, Jingdong","Critical Role of Non-classical Intermolecular Hydrogen Bonding in Affecting the π‒π Stacking and Nonlinear Optical Properties of Tricyanofuran-Based Push‒Pull Heptamethines","Chemistry of Materials","2021","33","10","3702","3711","10.1021/acs.chemmater.1c00704","","","1.54178","CuKα","","0.0871","0.0798","","","0.2483","0.2584","","","","","","1.039","","","","has coordinates,has disorder","265753","2021-06-04","00:59:25",""
"4003920","8.1305","0.0002","19.48","0.0005","9.0508","0.0002","90","","91.955","0.002","90","","1432.65","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","KSb5S8","","","- K2 S16 Sb10 -","- K2 S16 Sb10 -","- K4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0194","0.019","","","0.0458","0.0459","","","","","","1.008","","","","has coordinates","265754","2021-06-04","00:59:32",""
"4003921","11.7811","0.0003","8.8645","0.0002","15.8103","0.0004","90","","104.688","0.003","90","","1597.17","0.07","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","CsSb5S8","","","- Cs S8 Sb5 -","- Cs S8 Sb5 -","- Cs4 S32 Sb20 -","4","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0182","0.0164","","","0.0376","0.0382","","","","","","1.044","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4003922","8.177","0.0002","19.5619","0.0004","9.0795","0.0002","90","","91.822","0.002","90","","1451.6","0.06","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","RbSb5S8","","","- Rb2 S16 Sb10 -","- Rb2 S16 Sb10 -","- Rb4 S32 Sb20 -","2","1","","Chen, Wen-Fa; Liu, Bin-Wen; Pei, Shao-Min; Yan, Qiu-Nan; Jiang, Xiao-Ming; Guo, Guo-Cong","ASb5S8 (A = K, Rb, and Cs): Thermal Switching of Infrared Nonlinear Optical Properties across the Crystal/Glass Transformation","Chemistry of Materials","2021","33","10","3729","3735","10.1021/acs.chemmater.1c00794","","","0.71073","MoKα","","0.0299","0.0291","","","0.0813","0.0817","","","","","","1.242","","","","has coordinates","265754","2021-06-04","00:59:33",""
"4003923","12.6699","0.0004","14.697","0.0005","15.4203","0.0004","90","","105.049","0.001","90","","2772.93","0.15","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0757","0.0531","","","0.131","0.1504","","","","","","1.034","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003924","12.6772","0.0004","14.7185","0.0005","15.4396","0.0004","90","","105.02","0.001","90","","2782.44","0.15","182","","182","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0776","0.0539","","","0.1472","0.1724","","","","","","1.09","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003925","12.6812","0.001","14.7163","0.0014","15.4524","0.0013","90","","105.016","0.003","90","","2785.3","0.4","182","","182","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0873","0.0582","","","0.154","0.1804","","","","","","1.034","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003926","12.6971","0.0004","14.7532","0.0005","15.4751","0.0005","90","","104.918","0.001","90","","2801.14","0.16","240","","240","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0866","0.056","","","0.1482","0.1767","","","","","","1.034","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003927","12.7099","0.0004","14.7709","0.0005","15.4936","0.0005","90","","104.863","0.001","90","","2811.4","0.16","269","","269","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0918","0.0564","","","0.1431","0.1749","","","","","","1.036","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003928","12.7322","0.0011","14.7905","0.0014","15.5123","0.0013","90","","104.838","0.003","90","","2823.8","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.1112","0.0624","","","0.156","0.1951","","","","","","1.032","","","","has coordinates,has disorder","265192","2021-05-13","22:33:25",""
"4003929","13.2147","0.0003","18.6251","0.0004","12.0513","0.0003","90","","108.779","0.001","90","","2808.23","0.11","153","","153","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0649","0.0503","","","0.1511","0.1692","","","","","","0.96","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003930","13.2237","0.0004","18.6466","0.0005","12.0838","0.0003","90","","108.798","0.001","90","","2820.66","0.13","182","","182","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0793","0.0554","","","0.1603","0.1858","","","","","","0.981","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003931","13.2291","0.0005","18.6767","0.0005","12.1208","0.0003","90","","108.813","0.001","90","","2834.77","0.15","211","","211","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0883","0.0612","","","0.1726","0.1996","","","","","","1.021","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003932","13.2331","0.0007","18.7113","0.0011","12.1558","0.0005","90","","108.835","0.002","90","","2848.7","0.3","240","","240","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.1007","0.0651","","","0.1818","0.2281","","","","","","1.071","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003933","13.2342","0.0004","18.7535","0.0005","12.1948","0.0003","90","","108.868","0.001","90","","2863.97","0.14","269","","269","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.1003","0.0672","","","0.1856","0.2166","","","","","","1.037","","","","has coordinates","265193","2021-05-13","22:34:30",""
"4003934","13.2333","0.0009","18.7979","0.0013","12.2259","0.0011","90","","108.826","0.003","90","","2878.6","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0931","0.0565","","","0.1381","0.1641","","","","","","1.029","","","","has coordinates,has disorder","265193","2021-05-13","22:34:30",""
"4003935","10.2757","0.0005","10.2757","0.0005","44.5409","0.0017","90","","90","","120","","4073","0.3","153","","153","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0618","0.0432","","","0.0818","0.0918","","","","","","1.067","","","","has coordinates","265194","2021-05-13","22:35:20",""
"4003936","10.2919","0.0005","10.2919","0.0005","44.5234","0.0018","90","","90","","120","","4084.2","0.3","182","","182","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0655","0.0421","","","0.0818","0.0953","","","","","","1.033","","","","has coordinates","265194","2021-05-13","22:35:20",""
"4003937","10.3118","0.0005","10.3118","0.0005","44.4991","0.0018","90","","90","","120","","4097.8","0.3","211","","211","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0722","0.0457","","","0.0857","0.1003","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003938","10.3327","0.0005","10.3327","0.0005","44.479","0.002","90","","90","","120","","4112.6","0.3","240","","240","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0782","0.0467","","","0.0865","0.1022","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003939","10.3565","0.0005","10.3565","0.0005","44.4604","0.0019","90","","90","","120","","4129.8","0.3","269","","269","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0869","0.0489","","","0.0928","0.1119","","","","","","1.062","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003940","10.3834","0.0016","10.3834","0.0016","44.399","0.006","90","","90","","120","","4145.6","1.1","298","2","298","","","","","","","","","4","P 65","P 65","170","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C192 H228 N12 O30 -","6","1","","Su, Yuan; Bhunia, Surojit; Xu, Shuyuan; Chen, An; Reddy, C. Malla; Cai, Ting","Structure‒Thermomechanical Property Correlation in Polymorphic Molecular Crystals Probed by the Nanoindentation Technique","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00584","","","0.71073","MoKα","","0.0963","0.0494","","","0.1008","0.1286","","","","","","1.065","","","","has coordinates","265194","2021-05-13","22:35:21",""
"4003941","11.055","0.002","22.912","0.005","24.914","0.005","90","","90","","90","","6311","2","293","2","293","2","","","","","","","","2","C m c m","-C 2c 2","63","","","","- O232 Si116 -","- O232 Si116 -","- O232 Si116 -","1","0.0625","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","","","0.02508","electron","","0.2133","0.1938","","","0.4486","0.4635","","","","","","1.685","","","","has coordinates","265313","2021-05-18","22:21:33",""
"4003942","11.036236","0.000035","22.98504","0.00017","24.80596","0.00012","90","","90","","90","","6292.49","0.06","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- N0.52 O35.5 Si14.4 -","- N0.52 O35.5 Si14.4 -","- N4.16 O284 Si115.2 -","8","0.5","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","powder diffraction","","","","","","","","","","","","","0.72","","","","","","","has coordinates","265314","2021-05-18","22:22:01",""
"4003943","11.055","0.002","22.912","0.005","24.914","0.005","90","","90","","90","","6311","2","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C52 N4 O232 Si116 -","- C52 N4 O232 Si116 -","- C52 N4 O232 Si116 -","1","0.0625","","Cho, Jung; Yun, Yifeng; Xu, Hongyi; Sun, Junliang; Burton, Allen W.; Strohmaier, Karl G.; Terefenko, Gene; Vroman, Hilda; Afeworki, Mobae; Cao, Guang; Wang, Hao; Zou, Xiaodong; Willhammar, Tom","EMM-25: The Structure of Two-Dimensional 11 ×10 Medium-Pore Borosilicate Zeolite Unraveled Using 3D Electron Diffraction","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00892","","","0.02508","electron","","0.2375","0.2017","","","0.4364","0.4636","","","","","","1.38","","","","has coordinates","265315","2021-05-18","22:22:23",""
"4003944","21.732","0.008","4.0928","0.0015","12.323","0.003","90","0.03","100.92","0.03","90","0.03","1076.2","0.6","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As6 Cd2 La3 -","- As6 Cd2 La3 -","- As24 Cd8 La12 -","4","0.5","","Piva, Mario M.; Rahn, Marein C.; Thomas, Sean M.; Scott, Brian L.; Pagliuso, Pascoal G.; Thompson, Joe D.; Schoop, Leslie M.; Ronning, Filip; Rosa, Priscila F. S.","Robust Narrow-Gap Semiconducting Behavior in Square-Net La3Cd2As6","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00797","","x-ray","0.71073","MoKα","","0.2586","0.0851","","","0.0987","0.1031","","","","4.24","4.24","2.3","","","","has coordinates","265316","2021-05-18","22:22:43",""
"4003945","21.621","0.009","4.0634","0.0014","12.224","0.002","90","0.02","100.84","0.02","90","0.03","1054.8","0.6","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As6 Cd2 Ce3 -","- As6 Cd2 Ce3 -","- As24 Cd8 Ce12 -","4","0.5","","Piva, Mario M.; Rahn, Marein C.; Thomas, Sean M.; Scott, Brian L.; Pagliuso, Pascoal G.; Thompson, Joe D.; Schoop, Leslie M.; Ronning, Filip; Rosa, Priscila F. S.","Robust Narrow-Gap Semiconducting Behavior in Square-Net La3Cd2As6","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00797","","x-ray","0.71073","MoKα","","0.2601","0.0671","","","0.0854","0.0885","","","","3.61","3.61","1.7","","","","has coordinates","265317","2021-05-18","22:23:08",""
"4003946","8.9649","0.0001","23.2894","0.0001","14.0591","0.0001","90","","107.609","0.001","90","","2797.82","0.04","295.53","0.11","295.53","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 I10 N4 O8 Pb3 -","- C28 H56 I10 N4 O8 Pb3 -","- C56 H112 I20 N8 O16 Pb6 -","2","1","","Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei","Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00391","","x-ray","1.54184","CuKα","","0.0303","0.029","","","0.0732","0.0739","","","","","","1.007","","","","has coordinates","265318","2021-05-18","22:23:54",""
"4003947","35.928","0.0017","9.1976","0.0004","8.6505","0.0004","90","","102.027","0.004","90","","2795.8","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 I4 N2 O4 Pb -","- C14 H28 I4 N2 O4 Pb -","- C56 H112 I16 N8 O16 Pb4 -","4","0.5","","Zhang, Wenhao; Zhang, Weihua; Wang, Kai; Chu, Yanmeng; Du, Jiankang; Mei, Anyi; Rong, Yaoguang; Hu, Yue; Han, Hongwei","Revealing the Role of Bifunctional Molecules in Crystallizing Methylammonium Lead Iodide through Geometric Isomers","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00391","","","1.54178","CuKα","","0.0426","0.0363","","","0.101","0.1034","","","","","","1.12","","","","has coordinates","265319","2021-05-18","22:24:16",""
"4003948","9.0834","0.0014","9.0834","0.0014","6.6139","0.0011","90","","90","","120","","472.59","0.13","301","2","301","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- B6 K5 La3 Mg2 O18 -","- B6 K5 La3 Mg2 O18 -","- B6 K5 La3 Mg2 O18 -","1","0.166667","","Liu, Runqing; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01274","","","0.71073","MoKα","","0.0161","0.0159","","","0.0348","0.0349","","","","","","1.04","","","","has coordinates","265436","2021-05-21","22:20:59",""
"4003949","5.7137","0.0005","8.0567","0.0005","5.7209","0.0005","90","","90","","90","","263.35","0.04","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ce4 N6.04 Nb3.9 O5.96 -","- Ce3.99968 N6.04 Nb3.9 O5.96 -","- Ce3.99968 N6.04 Nb3.9 O5.96 -","1","0.125","","Shen, Zonghao; Wu, Ji; Shorvon, Matthew W.; Cazaux, Guillaume; Parker, Stephen C.; Skinner, Stephen J.","Partially Anion-Ordered Cerium Niobium Oxynitride Perovskite Phase with a Small Band Gap","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00631","powder diffraction","","","","","","","","","","","","","1.47","","","","","","","has coordinates","265437","2021-05-21","22:21:18",""
"4003950","11.4661","0.0005","11.5138","0.0005","17.0237","0.0008","106.614","0.0016","99.6956","0.0016","90.0802","0.0016","2119.93","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Ag Bi Br8 N4 -","- C32 H48 Ag Bi Br8 N4 -","- C64 H96 Ag2 Bi2 Br16 N8 -","2","1","","Schmitz, Fabian; Horn, Jonas; Dengo, Nicola; Sedykh, Alexander E.; Becker, Jonathan; Maiworm, Elena; Bélteky, Péter; Kukovecz, Ákos; Gross, Silvia; Lamberti, Francesco; Müller-Buschbaum, Klaus; Schlettwein, Derck; Meggiolaro, Daniele; Righetto, Marcello; Gatti, Teresa","Large Cation Engineering in Two-Dimensional Silver‒Bismuth Bromide Double Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01182","","","0.71073","MoKα","","0.0745","0.0548","","","0.1013","0.108","","","","","","1.122","","","","has coordinates,has disorder","265596","2021-05-28","22:38:54",""
"4003951","4.1746","0.0001","9.3604","0.0002","32.3368","0.0009","90","","92.283","0.001","90","","1262.59","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 F2 N2 Pb -","- C26 H20 Br2 F2 N2 Pb -","- C52 H40 Br4 F4 N4 Pb2 -","2","0.5","","Rath, Bibhuti Bhusan; Vittal, Jagadese J.","Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer","Chemistry of Materials","2021","33","12","4621","4627","10.1021/acs.chemmater.1c01124","","","0.71073","MoKα","","0.0342","0.0294","","","0.0822","0.0841","","","","","","1.226","","","","has coordinates","266968","2021-07-04","01:42:34",""
"4003952","4.1022","0.0002","9.3957","0.0005","31.6556","0.0015","90","","90.237","0.002","90","","1220.09","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br2 F2 N2 Pb -","- C26 H20 Br2 F2 N2 Pb -","- C52 H40 Br4 F4 N4 Pb2 -","2","0.5","","Rath, Bibhuti Bhusan; Vittal, Jagadese J.","Mechanical Bending and Modulation of Photoactuation Properties in a One-Dimensional Pb(II) Coordination Polymer","Chemistry of Materials","2021","33","12","4621","4627","10.1021/acs.chemmater.1c01124","","","0.71073","MoKα","","0.0594","0.0587","","","0.1866","0.187","","","","","","1.255","","","","has coordinates","266968","2021-07-04","01:42:39",""
"4003953","35.201","0.003","3.6649","0.0003","9.9848","0.0009","90","","91.863","0.002","90","","1287.44","0.19","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- As Cs0.11 Si0.95 Zn0.05 -","- As Cs0.109333 Si0.951 Zn0.049 -","- As24 Cs2.624 Si22.824 Zn1.176 -","24","3","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0619","0.0392","","","0.0619","0.0662","","","","","","1.117","","","","has coordinates","266967","2021-07-04","01:41:49",""
"4003954","10.0496","0.0006","3.7429","0.0002","15.3975","0.0008","90","","93.929","0.002","90","","577.81","0.06","100","2","100","2","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As7 Ge4.93 Li1.07 -","- As7 Ge4.923 Li1.077 -","- As14 Ge9.846 Li2.154 -","2","0.5","","Mark, Justin; Woo, Katherine E.; Zhu, Weidi; Ji, Bingheng; Lee, Shannon J.; Adeyemi, Adedoyin N.; Sen, Sabyasachi; Kovnir, Kirill","Two-Dimensional and Three-Dimensional Tetrel-Arsenide Frameworks Templated by Li and Cs Cations","Chemistry of Materials","2021","33","12","4586","4595","10.1021/acs.chemmater.1c01053","","","0.71073","MoKα","","0.0364","0.0267","","","0.0589","0.0616","","","","","","1.1","","","","has coordinates","266967","2021-07-04","01:41:54",""
"4003955","21.56","","5.89","","22.24","","90","","93.8","","90","","2818.01","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 B2 N2 -","- C168 H104 B8 N8 -","- C168 H104 B8 N8 -","1","0.125","","Sakamaki, Takumi; Nakamuro, Takayuki; Yamashita, Keitaro; Hirata, Kunio; Shang, Rui; Nakamura, Eiichi","B2N2-Doped Dibenzo[a,m]Rubicene: Modular Synthesis, Properties, and Coordination-Induced Color Tunability","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01441","","","0.7","","","0.0547","0.0465","","","0.1242","0.1288","","","","","","1.05","","","","has coordinates","266499","2021-06-16","22:37:44",""
"4003956","20.69","","6.2","","22","","90","","92.09","","90","","2820.24","","293","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 -","- C184 H104 -","- C184 H104 -","1","0.125","","Sakamaki, Takumi; Nakamuro, Takayuki; Yamashita, Keitaro; Hirata, Kunio; Shang, Rui; Nakamura, Eiichi","B2N2-Doped Dibenzo[a,m]Rubicene: Modular Synthesis, Properties, and Coordination-Induced Color Tunability","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01441","","","0.7","","","0.0574","0.0552","","","0.1409","0.1429","","","","","","1.059","","","","has coordinates","266500","2021-06-16","22:38:12",""
"4003957","12.2153","0.0006","10.4656","0.0004","7.856","0.0004","90","","90","","90","","1004.31","0.08","290","2","290","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 F5 I Mo O4 -","- Cs2 F5 I Mo O4 -","- Cs8 F20 I4 Mo4 O16 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Humphrey, Mark G.; Zhang, Chi","A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01434","","","0.71073","MoKα","","0.0265","0.0254","","","0.072","0.0907","","","","","","0.807","","","","has coordinates","266692","2021-06-25","23:06:37",""
"4003958","11.806","0.0013","10.1279","0.0013","7.6661","0.0008","90","","90","","90","","916.64","0.18","289","2","289","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- F5 I Mo O4 Rb2 -","- F5 I Mo O4 Rb2 -","- F20 I4 Mo4 O16 Rb8 -","4","0.5","","Hu, Yilei; Jiang, Xingxing; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Humphrey, Mark G.; Zhang, Chi","A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01434","","","0.71073","MoKα","","0.0818","0.0696","","","0.1516","0.1578","","","","","","1.175","","","","has coordinates","266693","2021-06-25","23:06:58",""
"4003959","49.493","0.0015","8.3269","0.0002","8.3253","0.0002","90","","90.008","0.002","90","","3431.05","0.16","296.99","0.11","296.99","","","","","","","","","5","C 1 c 1","C -2yc","9","Heptylammonium Methylammonium Lead Bromide","","","- C15 H39 Br7 N3 Pb2 -","- C15 H39 Br7 N3 Pb2 -","- C60 H156 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.1035","0.0588","","","0.1604","0.169","","","","2.92","2.92","2.21","","","","has coordinates","266694","2021-06-25","23:09:19",""
"4003960","46.069","0.005","8.2722","0.0005","8.3454","0.0012","90","","90.852","0.017","90","","3180","0.6","273.01","0.15","273.01","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H38 Br7 N3 Pb2 -","- C13 H38 Br7 N3 Pb2 -","- C52 H152 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.1832","0.0897","","","0.1882","0.2068","","","","3.5","3.5","2.11","","","","has coordinates","266695","2021-06-25","23:09:42",""
"4003961","52.952","0.005","8.3232","0.0007","8.3225","0.0007","90","","90.01","0.002","90","","3668","0.6","296","2","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","Octylammonium Methylammonium Lead Bromide","","","- C17 H46 Br7 N3 Pb2 -","- C17 H46 Br7 N3 Pb2 -","- C68 H184 Br28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","","0.71073","MoKα","","0.149","0.0717","","","0.1936","0.2333","","","","","","1.001","","","","has coordinates","266696","2021-06-25","23:10:05",""
"4003962","50.4324","0.0003","8.972","0.0004","8.8421","","90","","97.639","","90","","3965.36","0.18","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","Octylammonium Methylammonium Lead iodide","","","- C17 H46 I7 N3 Pb2 -","- C17 H46 I7 N3 Pb2 -","- C68 H184 I28 N12 Pb8 -","4","1","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71359","MoKα","","0.1315","0.064","","","0.1391","0.1467","","","","4.06","4.06","2.96","","","","has coordinates","266697","2021-06-25","23:10:31",""
"4003963","48.559","","8.328","","8.325","","90","","90.05","","90","","3366.62","","322.99","0.14","322.99","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexylammonium Methylammonium Lead Bromide","","","- C13 H34 Br7 N3 Pb2 -","- C13 H36 Br7 N3 Pb2 -","- C52 H144 Br28 N12 Pb8 -","4","0.5","","Vasileiadou, Eugenia S.; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Tu, Qing; Malliakas, Christos D.; Friedrich, Daniel; Spanopoulos, Ioannis; Hoffman, Justin M.; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Shedding Light on the Stability and Structure‒Property Relationships of Two-Dimensional Hybrid Lead Bromide Perovskites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01129","","x-ray","0.71073","MoKα","","0.113","0.0884","","","0.2669","0.2932","","","","","","1.053","","","","has coordinates","266698","2021-06-25","23:10:57",""
"4003964","8.1835","0.0007","17.1315","0.0015","20.45","0.0018","90","","90","","90","","2867","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.0314","0.0228","","","0.0531","0.0557","","","","","","1","","","","has coordinates","266785","2021-06-29","22:36:48",""
"4003965","33.4529","0.0014","8.7631","0.0004","23.7869","0.001","90","","100.368","0.0007","90","","6859.3","0.5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.91 H56 Cl4 Co2 N14 -","- C15.92 H56 Cl4 Co2 N14 -","- C127.36 H448 Cl32 Co16 N112 -","8","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.0477","0.0367","","","0.0891","0.0938","","","","","","1.037","","","","has coordinates,has disorder","266786","2021-06-29","22:37:23",""
"4003966","14.778","0.003","11.066","0.003","20.095","0.005","90","","90","","90","","3286.2","1.4","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H32 Co13 N8 S12 -","- C8 H32 Co13 N8 S12 -","- C32 H128 Co52 N32 S48 -","4","1","","Zheng, Huafei; Wilfong, Brandon C.; Hickox-Young, Daniel; Rondinelli, James M.; Zavalij, Peter Y.; Rodriguez, Efrain E.","Polar Ferromagnetic Metal by Intercalation of Metal‒Amine Complexes","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00540","","","0.71073","MoKα","","0.161","0.0641","","","0.1631","0.2249","","","","","","0.972","","","","has coordinates,has disorder","266787","2021-06-29","22:37:51",""
"4003967","15.4912","0.0002","8.3769","0.0001","40.0997","0.0005","90","","91.93","0.001","90","","5200.72","0.11","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 I7 N3 O Pb2 S6 -","- C33 H44 I7 N3 O Pb2 S6 -","- C132 H176 I28 N12 O4 Pb8 S24 -","4","1","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.0535","0.042","","","0.0963","0.103","","","","","","1.049","","","","has coordinates,has disorder","266788","2021-06-29","22:38:14",""
"4003968","19.2783","0.0007","21.3335","0.0007","8.4039","0.0002","90","","93.989","0.003","90","","3447.93","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 I10 N4 Pb3 S8 -","- C44 H56 I10 N4 Pb3 S8 -","- C88 H112 I20 N8 Pb6 S16 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.1091","0.0877","","","0.1865","0.1995","","","","","","1.089","","","","has coordinates,has disorder","266789","2021-06-29","22:38:36",""
"4003969","24.774","0.0005","7.35765","0.00014","7.86657","0.00015","90","","91.5692","0.0018","90","","1433.37","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl4 N2 Pb S4 -","- C22 H28 Cl4 N2 Pb S4 -","- C44 H56 Cl8 N4 Pb2 S8 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.0343","0.0265","","","0.0632","0.0681","","","","","","1.027","","","","has coordinates","266790","2021-06-29","22:38:57",""
"4003970","23.5063","0.0005","7.7046","0.0002","8.2879","0.0002","90","","91.33","0.002","90","","1500.59","0.06","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br4 N2 Pb S4 -","- C22 H28 Br4 N2 Pb S4 -","- C44 H56 Br8 N4 Pb2 S8 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","0.71073","MoKα","","0.0353","0.0281","","","0.0661","0.0706","","","","","","1.055","","","","has coordinates,has disorder","266791","2021-06-29","22:39:20",""
"4003971","37.2172","0.0007","8.5262","0.0001","38.7318","0.0008","90","","117.507","0.002","90","","10901","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C132 H168 I30 N12 Pb9 S24 -","- C132 H168 I30 N12 Pb9 S24 -","- C264 H336 I60 N24 Pb18 S48 -","2","0.5","","Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk","Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01221","","x-ray","1.54184","CuKα","","0.1041","0.0691","","","0.1801","0.2107","","","","","","1.037","","","","has coordinates","266792","2021-06-29","22:39:46",""
"4003972","11.2186","0.0003","13.7976","0.0004","15.2854","0.0004","90","","96.979","0.002","90","","2348.49","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H52 Cu4 I6 Na2 O15 -","- C24 H52 Cu4 I6 Na2 O15 -","- C48 H104 Cu8 I12 Na4 O30 -","2","0.5","","Huang, Jinglong; Su, Binbin; Song, Enhai; Molokeev, Maxim S.; Xia, Zhiguo","Ultra-Broad-Band-Excitable Cu(I)-Based Organometallic Halide with Near-Unity Emission for Light-Emitting Diode Applications","Chemistry of Materials","2021","33","12","4382","4389","10.1021/acs.chemmater.1c00085","","","0.71073","MoKα","","0.0296","0.0236","","","0.05","0.0522","","","","","","0.95","","","","has coordinates","266943","2021-07-03","21:16:28",""
"4003973","7.21984","0.00004","7.21984","0.00004","17.44441","0.00012","90","","90","","120","","787.485","0.008","40","","40","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.1209","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:21",""
"4003974","4.93891","0.00016","4.93891","0.00016","4.93891","0.00016","90","","90","","90","","120.474","0.007","40","","40","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","8.9554","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:23",""
"4003975","7.21842","0.00018","7.157","0.0005","10.1655","0.0003","90","","90","","90","","525.17","0.04","40","","40","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.9601","2.0291","","","","","","","has coordinates","267297","2021-07-06","22:23:24",""
"4003976","7.22163","0.00004","7.22163","0.00004","17.43472","0.00012","90","","90","","120","","787.437","0.008","2","","2","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.2037","2.1","","","","","","","has coordinates","267298","2021-07-06","22:23:59",""
"4003977","4.93823","0.00016","4.93823","0.00016","4.93823","0.00016","90","","90","","90","","120.424","0.007","2","","2","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","12.1966","2.1","","","","","","","has coordinates","267298","2021-07-06","22:24:00",""
"4003978","7.21949","0.00019","7.156","0.0005","10.1648","0.0004","90","","90","","90","","525.14","0.04","2","","2","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.9157","2.1","","","","","","","has coordinates","267298","2021-07-06","22:24:00",""
"4003979","7.22081","0.00004","7.22081","0.00004","17.4383","0.00012","90","","90","","120","","787.42","0.008","30","","30","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.718","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003980","4.93894","0.00017","4.93894","0.00017","4.93894","0.00017","90","","90","","90","","120.476","0.007","30","","30","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","11.0771","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003981","7.2196","0.0002","7.1573","0.0005","10.1651","0.0004","90","","90","","90","","525.26","0.04","30","","30","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","4.6774","2.1839","","","","","","","has coordinates","267299","2021-07-06","22:24:34",""
"4003982","7.21861","0.00004","7.21861","0.00004","17.45028","0.00012","90","","90","","120","","787.481","0.008","45","","45","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.1685","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003983","4.93828","0.00017","4.93828","0.00017","4.93828","0.00017","90","","90","","90","","120.428","0.007","45","","45","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","9.6839","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003984","7.2169","0.0002","7.1576","0.0004","10.1656","0.0003","90","","90","","90","","525.11","0.04","45","","45","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.8053","2.0538","","","","","","","has coordinates","267300","2021-07-06","22:25:07",""
"4003985","10.1654","0.0006","10.1654","0.0006","10.1654","0.0006","90","","90","","90","","1050.45","0.11","100","","100","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","","x-ray","0.71075","MoKα","","0.0128","0.0125","","","0.0151","0.0153","","","","1.15","1.15","1.14","","","","has coordinates","267301","2021-07-06","22:25:35",""
"4003986","10.1608","0.0006","10.1608","0.0006","10.1608","0.0006","90","","90","","90","","1049.02","0.11","100","","100","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","","x-ray","0.71073","MoKα","","0.0086","0.0086","","","0.0136","0.0136","","","","1.19","1.19","1.19","","","","has coordinates","267302","2021-07-06","22:25:54",""
"4003987","10.16473","0.00002","10.16473","0.00002","10.16473","0.00002","90","","90","","90","","1050.24","0.004","65","","65","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","2.9706","2.3377","","","","","","","has coordinates","267303","2021-07-06","22:26:29",""
"4003988","4.93911","0.00019","4.93911","0.00019","4.93911","0.00019","90","","90","","90","","120.489","0.008","65","","65","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","15.4907","2.3377","","","","","","","has coordinates","267303","2021-07-06","22:26:29",""
"4003989","10.17818","0.00002","10.17818","0.00002","10.17818","0.00002","90","","90","","90","","1054.41","0.004","300","","300","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga1.00006 Mo4 Se8 -","- Ga4.00024 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","2.8214","1.8978","","","","","","","has coordinates","267304","2021-07-06","22:27:07",""
"4003990","4.94483","0.00015","4.94483","0.00015","4.94483","0.00015","90","","90","","90","","120.908","0.006","300","","300","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","2.8214","1.8978","","","","","","","has coordinates","267304","2021-07-06","22:27:09",""
"4003991","7.22055","0.00004","7.22055","0.00004","17.44069","0.00012","90","","90","","120","","787.472","0.008","35","","35","","","","","","","","","3","R 3 m :H","R 3 -2""","160","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga3 Mo12 Se24 -","3","0.166667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","3.184","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:48",""
"4003992","4.93814","0.00016","4.93814","0.00016","4.93814","0.00016","90","","90","","90","","120.418","0.007","35","","35","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","Mo3Ga","Mo3Ga","","- Ga Mo3 -","- Ga Mo3 -","- Ga2 Mo6 -","2","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","12.3681","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:57",""
"4003993","7.2185","0.0002","7.1571","0.0005","10.1658","0.0004","90","","90","","90","","525.2","0.04","35","","35","","","","","","","","","3","I m m 2","I 2 -2","44","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga2 Mo8 Se16 -","2","0.25","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","powder diffraction","","1.594","Neutron","","","","","","","","","4.0621","2.1069","","","","","","","has coordinates","267305","2021-07-06","22:27:57",""
"4003994","10.2022","0.0006","10.2022","0.0006","10.2022","0.0006","90","","90","","90","","1061.89","0.11","300","","300","","","","","","","","","3","F -4 3 m","F -4 2 3","216","GaMo4Se8","GaMo4Se8","","- Ga Mo4 Se8 -","- Ga Mo4 Se8 -","- Ga4 Mo16 Se32 -","4","0.0416667","","Routledge, Kieran; Vir, Praveen; Cook, Nicholas; Murgatroyd, Philip A. E.; Ahmed, Sheikh J.; Savvin, Stanislav N.; Claridge, John B.; Alaria, Jonathan","Mode Crystallography Analysis through the Structural Phase Transition and Magnetic Critical Behavior of the Lacunar Spinel GaMo4Se8","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01448","","x-ray","0.71075","MoKα","","0.0214","0.0186","","","0.0229","0.023","","","","1.48","1.48","1.39","","","","has coordinates","267306","2021-07-06","22:28:27",""
"4003995","9.1142","0.0004","12.0574","0.0005","13.2549","0.0007","90","","90.651","0.004","90","","1456.53","0.12","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0569","0.056","","","0.142","0.143","","","","","","1.04","","","","has coordinates","267463","2021-07-11","22:16:01",""
"4003996","8.0054","0.0004","11.1571","0.0008","16.1757","0.0008","90","","90","","90","","1444.77","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N2 O3 S -","- C4 H8 N2 O3 S -","- C32 H64 N16 O24 S8 -","8","1","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.056","0.0426","","","0.1119","0.1229","","","","","","1.021","","","","has coordinates","267464","2021-07-11","22:16:22",""
"4003997","12.2768","0.0006","10.0322","0.0005","13.7525","0.0007","90","","99.64","0.005","90","","1669.89","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H10 N2 O3 S -","- C5 H10 N2 O3 S -","- C40 H80 N16 O24 S8 -","8","1","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0609","0.0522","","","0.1485","0.1566","","","","","","1.129","","","","has coordinates","267465","2021-07-11","22:16:43",""
"4003998","9.1224","0.0002","12.0569","0.0003","13.3229","0.0004","90","","90.602","0.002","90","","1465.28","0.07","173.1","0.5","173.1","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O4 S -","- C13 H20 N2 O4 S -","- C52 H80 N8 O16 S4 -","4","2","","Xu, Lei; Mu, Xin; Chen, Xiao-Gang; Zhang, Han-Yue; Xiong, Ren-Gen","Organic Enantiomeric Ferroelectrics with High Piezoelectric Performance: Imidazolium l- and d-Camphorsulfonate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01663","","x-ray","0.71073","MoKα","","0.0444","0.0399","","","0.1054","0.1079","","","","","","1.028","","","","has coordinates","267466","2021-07-11","22:17:04",""
"4003999","10.0457","0.0013","14.95","0.0015","13.2054","0.0017","90","","97.794","0.012","90","","1964.9","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cd N6 O7 -","- C16 H17 Cd N6 O7 -","- C64 H68 Cd4 N24 O28 -","4","1","","Sharma, Shivani; Mukherjee, Soumya; Desai, Aamod V.; Vandichel, Matthias; Dam, Gourab K.; Jadhav, Ashwini; Kociok-Köhn, Gabriele; Zaworotko, Michael J.; Ghosh, Sujit K.","Efficient Capture of Trace Acetylene by an Ultramicroporous Metal‒Organic Framework with Purine Binding Sites","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01723","","","0.71073","MoKα","","0.1939","0.106","","","0.2355","0.317","","","","","","1.078","","","","has coordinates,has disorder","267467","2021-07-11","22:17:26",""
"4004000","6.4555","0.0013","11.848","0.002","10.308","0.002","90","","99.2","0.03","90","","778.3","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- I2 Re6 S4 Se4 -","- I2 Re6 S4 Se4 -","- I4 Re12 S8 Se8 -","2","0.5","","Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.","Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01696","","x-ray","0.56083","AgKα","","0.0789","0.0478","","","0.1034","0.1149","","","","","","1.031","","","","has coordinates,has disorder","267472","2021-07-12","22:37:01",""
"4004001","6.5735","0.0013","12.029","0.002","10.402","0.002","90","","99.63","0.03","90","","810.9","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I2 Re6 Se8 -","- I2 Re6 Se8 -","- I4 Re12 Se16 -","2","0.5","","Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.","Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01696","","x-ray","0.56083","AgKα","","0.0802","0.0458","","","0.0961","0.1043","","","","","","1.101","","","","has coordinates","267473","2021-07-12","22:37:20",""
"4004002","6.3649","0.0013","11.607","0.002","10.177","0.002","90","","98.77","0.03","90","","743.1","0.3","293","","293","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- I2 Re6 S8 -","- I2 Re6 S8 -","- I4 Re12 S16 -","2","0.5","","Laing, Craig C.; Shen, Jiahong; Chica, Daniel G.; Cuthriell, Shelby A.; Schaller, Richard D.; Wolverton, Chris; Kanatzidis, Mercouri G.","Photoluminescent Re6Q8I2 (Q = S, Se) Semiconducting Cluster Compounds","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01696","","x-ray","0.56083","AgKα","","0.0563","0.042","","","0.0977","0.1033","","","","","","1.091","","","","has coordinates","267474","2021-07-12","22:37:39",""
"4004003","10.5812","0.0007","17.5448","0.0011","22.7429","0.0016","90","","90","","90","","4222.1","0.5","143","1","143","1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C21 Bi2 Br9 N3 -","- C21 Bi2 Br9 N3 -","- C84 Bi8 Br36 N12 -","4","0.25","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1729","0.1472","","","0.3071","0.3209","","","","","","1.235","","","","has coordinates","267565","2021-07-15","22:35:19",""
"4004004","8.8008","0.0018","19.811","0.003","21.429","0.004","90","","90","","90","","3736.2","1.2","347.99","0.1","347.99","0.1","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C15 Bi2 Br9 N3 -","- C15 Bi2 Br9 N3 -","- C60 Bi8 Br36 N12 -","4","0.25","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1252","0.0807","","","0.2297","0.2579","","","","","","1.025","","","","has coordinates","267566","2021-07-15","22:35:41",""
"4004005","10.4505","0.0008","10.4505","0.0008","23.2226","0.0013","90","","90","","120","","2196.4","0.3","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C21 H0 Bi2 Br9 N3 -","- C21.02 Bi2 Br9 N2.98 -","- C42.04 Bi4 Br18 N5.96 -","2","0.0833333","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.0934","0.0822","","","0.2331","0.2405","","","","","","1.113","","","","has coordinates","267567","2021-07-15","22:36:07",""
"4004006","22.5815","0.0015","8.7923","0.0004","24.089","0.003","90","","121.745","0.006","90","","4067.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H24 Bi Br5 N2 -","- C8 H24 Bi Br5 N2 -","- C64 H192 Bi8 Br40 N16 -","8","2","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1614","0.1125","","","0.3107","0.3339","","","","","","1.102","","","","has coordinates","267568","2021-07-15","22:36:31",""
"4004007","22.4702","0.0009","18.4743","0.0008","19.2456","0.0014","90","","90","","90","","7989.3","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C18 Bi2 Br9 N3 -","- C18 Bi2 Br9 N3 -","- C144 Bi16 Br72 N24 -","8","1","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1199","0.07","","","0.1689","0.1877","","","","","","1.03","","","","has coordinates,has disorder","267569","2021-07-15","22:36:52",""
"4004008","19.5801","0.0012","21.328","0.002","8.7346","0.0006","90","","90","","90","","3647.6","0.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H42 Bi2 Br9 N3 -","- C15 H42 Bi2 Br9 N3 -","- C60 H168 Bi8 Br36 N12 -","4","0.5","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1213","0.0988","","","0.2563","0.2724","","","","","","1.013","","","","has coordinates","267570","2021-07-15","22:37:13",""
"4004009","23.0597","0.0008","18.4426","0.0007","18.2352","0.0007","90","","90","","90","","7755.1","0.5","148","0.1","148","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H48 Bi2 Br9 N3 -","- C18 H48 Bi2 Br9 N3 -","- C144 H384 Bi16 Br72 N24 -","8","1","","Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi","Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01699","","","0.71073","MoKα","","0.1582","0.1292","","","0.3266","0.3499","","","","","","1.03","","","","has coordinates","267571","2021-07-15","22:37:35",""
"4004010","12.2","0.002","6.783","0.0014","10.707","0.002","90","","90","","90","","886","0.3","293","2","293","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C12 H10 Co N4 O4 -","- C12 H10 Co N4 O4 -","- C24 H20 Co2 N8 O8 -","2","0.5","","Kang, Minjung; Kang, Dong Won; Choe, Jong Hyeak; Kim, Hyojin; Kim, Dae Won; Park, Hyein; Hong, Chang Seop","A Robust Hydrogen-Bonded Metal‒Organic Framework with Enhanced Ethane Uptake and Selectivity","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01892","","","0.7","synchrotron","","0.0625","0.0568","","","0.1798","0.1895","","","","","","0.729","","","","has coordinates","267645","2021-07-19","22:39:34",""
"4004011","6.9932","0.0016","6.9932","0.0016","8.908","0.002","90","","90","","90","","435.64","0.17","296","2","296","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","uranyl phosphate","","","- O14 P U -","- O14 P U -","- O28 P2 U2 -","2","0.125","","Wang, Xiaoze; Song, Enhai; Qin, Lianjie; Gui, Daxiang; Xu, Zhijun; Xie, Jian; Lei, Min; Zhang, Hongfa; Wang, Yanlong; Wang, Yaxing; Xia, Zhiguo; Liu, Wei; Du, Wei; Wang, Shuao","Fabrication of a Wide Color Gamut pc-WLED Surpassing 107% NTSC Based on a Robust Luminescent Uranyl Phosphate","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c00862","","","0.71073","MoKα","","0.0296","0.028","","","0.077","0.0783","","","","","","1.183","","","","has coordinates","267648","2021-07-20","22:34:52",""
"4004012","8.616","0.003","8.616","0.003","5.198","0.003","90","","90","","120","","334.2","0.3","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ba3 Ge3 O14 Te Zn2 -","- Ba3 Ge2.9999 O14 Te Zn2.0001 -","- Ba3 Ge2.9999 O14 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0255","0.025","","","0.0748","0.0749","","","","","","1.299","","","","has coordinates,has disorder","267743","2021-07-25","22:29:39",""
"4004013","8.3223","0.0005","8.3223","0.0005","5.0551","0.0005","90","","90","","120","","303.21","0.04","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ge3 O14 Sr3 Te Zn2 -","- Ge2.9999 O14 Sr3 Te Zn2.0001 -","- Ge2.9999 O14 Sr3 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0358","0.0344","","","0.1055","0.1064","","","","","","1.266","","","","has coordinates,has disorder","267744","2021-07-25","22:30:02",""
"4004014","8.5194","0.0006","8.5194","0.0006","5.1235","0.0006","90","","90","","120","","322.04","0.05","293","2","293","2","","","","","","","","5","P 3 2 1","P 3 2""","150","","","","- Ge3 O14 Pb3 Te Zn2 -","- Ge2.9999 O14 Pb3 Te Zn2.0001 -","- Ge2.9999 O14 Pb3 Te Zn2.0001 -","1","0.166667","","Chen, Kaichuang; Lin, Chensheng; Zhang, Shengzi; Peng, Guang; Chen, Yu; Zhao, Dan; Fan, Huixin; Yang, Shunda; Wen, Xin; Luo, Min; Lin, Zheshuai; Ye, Ning","A3Te(Zn2Ge)Ge2O14 (A = Sr, Ba, and Pb): New Langasite Mid-infrared Nonlinear Optical Materials by Rational Chemical Substitution","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01399","","","0.71073","MoKα","","0.0337","0.0327","","","0.0647","0.0652","","","","","","1.083","","","","has coordinates,has disorder","267745","2021-07-25","22:30:23",""
"4004015","8.7893","0.0004","14.0924","0.0007","9.6968","0.0005","93.982","0.004","67.441","0.005","92.837","0.004","1106.15","0.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","1","1","","He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong","Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c02084","","","0.71073","MoKα","","0.0865","0.0686","","","0.1603","0.1685","","","","","","1.061","","","","has coordinates","267749","2021-07-26","22:36:26",""
"4004016","8.8725","0.0014","14.4071","0.0017","9.6558","0.0014","90","","113.403","0.018","90","","1132.7","0.3","423","2","423","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H20 Bi Br6 N2 O2 Rb -","- C8 H20 Bi Br6 N2 O2 Rb -","- C16 H40 Bi2 Br12 N4 O4 Rb2 -","2","1","","He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong","Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c02084","","","0.71073","MoKα","","0.2858","0.2127","","","0.4561","0.4898","","","","","","1.12","","","","has coordinates","267750","2021-07-26","22:36:42",""
"4004017","10.24","0.002","8.4579","0.0017","21.347","0.004","90","","90.14","0.03","90","","1848.8","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Bi I5 N2 -","- C6 H16 Bi I5 N2 -","- C24 H64 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0406","0.0331","","","0.0752","0.0779","","","","","","1.066","","","","has coordinates","267751","2021-07-26","22:37:02",""
"4004018","8.5577","0.0002","9.7387","0.0002","18.5585","0.0004","86.3032","0.0012","88.2019","0.0011","88.8251","0.001","1542.44","0.06","273.15","","273.15","","","","","","","","","7","P 1","P 1","1","","","","- C12 H22 Ag Bi I8 N4 O -","- C12 H22 Ag Bi I8 N4 O -","- C24 H44 Ag2 Bi2 I16 N8 O2 -","2","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0474","0.0366","","","0.1043","0.1138","","","","","","0.983","","","","has coordinates","267752","2021-07-26","22:37:23",""
"4004019","10.93","0.002","9.0996","0.0018","17.651","0.004","90","","90.29","0.03","90","","1755.5","0.6","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 Bi I5 N2 -","- C6 H10 Bi I5 N2 -","- C24 H40 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","x-ray","0.71073","MoKα","","0.1084","0.093","","","0.1017","0.1022","","","","5.07","5.07","4.57","","","","has coordinates","267753","2021-07-26","22:37:45",""
"4004020","19.55","0.004","10.108","0.002","17.163","0.003","90","","90","0.03","90","","3391.6","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H10 Bi I5 N2 -","- C6 H10 Bi I5 N2 -","- C48 H80 Bi8 I40 N16 -","8","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0667","0.056","","","0.1408","0.147","","","","","","1.01","","","","has coordinates","267754","2021-07-26","22:38:08",""
"4004021","34.988","0.007","8.4789","0.0017","22.226","0.004","90","","96.92","0.03","90","","6546","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H16.5 Ag0.5 Bi0.5 I4 N2 O0.25 -","- C6 H16.25 Ag0.5 Bi0.5 I4 N2 O0.25 -","- C96 H260 Ag8 Bi8 I64 N32 O4 -","16","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","","0.71073","MoKα","","0.0724","0.0316","","","0.0532","0.0605","","","","","","0.891","","","","has coordinates","267755","2021-07-26","22:38:35",""
"4004022","12.74","0.003","8.9285","0.0018","16.404","0.003","90","","90.09","0.03","90","","1865.9","0.7","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H16 Bi I5 N2 -","- C6 H16 Bi I5 N2 -","- C24 H64 Bi4 I20 N8 -","4","2","","Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.","Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions","Chemistry of Materials","2021","","","","","10.1021/acs.chemmater.1c01952","","x-ray","0.71073","MoKα","","0.0905","0.0607","","","0.0849","0.086","","","","3.04","3.04","2.48","","","","has coordinates","267756","2021-07-26","22:39:07",""
"4004023","5.7203","0.0002","6.546","0.0002","6.7887","0.0002","86.6638","0.001","88.7402","0.001","89.5149","0.001","253.705","0.014","300","2","299.92","","","","","","","","","3","P -1","-P 1","2","","","","- B2 Co2 Nd -","- B2 Co2 Nd -","- B8 Co8 Nd4 -","4","2","","Powderly, Kelly M.; Guo, Shu; Mitchell Warden, Hillary E.; Nguyen, Loi T.; Cava, R. J.","Metastable β-NdCo2B2: A Triclinic Polymorph with Magnetic Ordering","Chemistry of Materials","2021","33","16","6374","6382","10.1021/acs.chemmater.1c01545","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0382","0.0397","","","","","","1.057","","","","has coordinates","268447","2021-09-03","21:59:04",""
"4004024","24.9258","0.001","5.4638","0.0002","5.4927","0.0002","90","","90","","90","","748.05","0.05","299","2","299","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Bi5 Na Nb4 O18 -","- Bi5 Na Nb4 O18 -","- Bi10 Na2 Nb8 O36 -","2","0.25","","Kim, Kisung; Lee, Min Hyung; Ok, Kang Min","Structural Origin of Very Large Second-Harmonic Generation of a Layered Perovskite, Na0.5Bi2.5Nb2O9","Chemistry of Materials","2021","33","16","6564","6571","10.1021/acs.chemmater.1c02203","","x-ray","0.71073","MoKα","","0.0494","0.0492","","","0.1419","0.1421","","","","","","1.14","","","","has coordinates","268448","2021-09-03","21:59:28",""
"4004025","16.52","0.02","8.223","0.01","9.293","0.011","90","","90","","90","","1262","3","296.15","","296.15","","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Hg3 P2 S8 -","- Hg3 P2 S8 -","- Hg12 P8 S32 -","4","0.5","","Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie","Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold","Chemistry of Materials","2021","33","16","6514","6521","10.1021/acs.chemmater.1c01982","","","0.71073","MoKα","","0.0366","0.0309","","","0.0682","0.0713","","","","","","0.969","","","","has coordinates","268449","2021-09-03","21:59:47",""
"4004026","10.3586","0.0003","12.474","0.0004","16.2912","0.0005","90","","93.407","0.001","90","","2101.32","0.11","294","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Ca5 O22 S2 -","- C24 H42 Ca5 O22 S2 -","- C48 H84 Ca10 O44 S4 -","2","0.5","","Yin, Yu-Jie; Zhao, He; Zhang, Lingwen; Huang, Jiaxiang; Zhang, Jian-Jun; Chen, Jun; Ni, Jun; Song, Bo; Liu, Shuqin; Duan, Chunying","Color-Tunable Long-Lived Room-Temperature Phosphorescence in a Coordination Polymer Based on a Nonaromatic Ligand and Its Phosphor/Coordination Polymer-Doped Systems","Chemistry of Materials","2021","33","18","7272","7282","10.1021/acs.chemmater.1c01514","","","0.71073","MoKα","","0.0486","0.0419","","","0.1183","0.1229","","","","","","1.039","","","","has coordinates,has disorder","269504","2021-10-03","21:45:38",""
"4004027","20.5838","0.0013","15.8576","0.0009","16.9689","0.0006","84.446","0.004","85.324","0.004","69.545","0.006","5158.5","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","JUK-20-eve","","","- C34 H29 Cd N9 O6 -","- C34 H29 Cd N9 O6 -","- C136 H116 Cd4 N36 O24 -","4","2","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.1094","0.055","","","0.1218","0.1476","","","","","","1.005","","","","has coordinates","269505","2021-10-03","21:46:06",""
"4004028","20.6808","0.0003","15.8316","0.0002","16.3301","0.0003","90","","94.133","0.001","90","","5332.74","0.14","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-noh","","","- C40 H39 Cd N9 O7 -","- C40 H39 Cd N9 O7 -","- C160 H156 Cd4 N36 O28 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0723","0.0677","","","0.2002","0.2045","","","","","","1.055","","","","has coordinates,has disorder","269506","2021-10-03","21:46:34",""
"4004029","10.7072","0.0003","9.5189","0.0002","15.7651","0.0003","90","","96.508","0.002","90","","1596.44","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DPT-noh","","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.0666","0.0596","","","0.1634","0.1696","","","","","","1.039","","","","has coordinates,has disorder","269507","2021-10-03","21:46:56",""
"4004030","20.3536","0.0001","15.8322","0.0001","16.8859","0.0002","90","","94.971","0.001","90","","5420.88","0.08","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-nor","","","- C29 H20 Cd N8 O5 -","- C29 H20 Cd N8 O5 -","- C116 H80 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.081","0.0602","","","0.1733","0.1942","","","","","","1.038","","","","has coordinates,has disorder","269508","2021-10-03","21:47:21",""
"4004031","20.4536","0.0005","15.7247","0.0005","17.0953","0.0002","86.129","0.002","85.252","0.002","70.324","0.003","5154.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","JUK-20","","","- C32 H27 Cd N11 O6 -","- C32 H27 Cd N11 O6 -","- C128 H108 Cd4 N44 O24 -","4","2","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0811","0.0714","","","0.1965","0.2109","","","","","","1.063","","","","has coordinates","269509","2021-10-03","21:47:47",""
"4004032","20.3536","0.0001","15.8322","0.0001","16.8859","0.0002","90","","94.971","0.001","90","","5420.88","0.08","120","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-noh","","","- C36 H30 Cd N8 O5 -","- C36 H30 Cd N8 O5 -","- C144 H120 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","","0.71073","MoKα","","0.0959","0.0746","","","0.2279","0.2502","","","","","","1.069","","","","has coordinates,has disorder","269510","2021-10-03","21:48:13",""
"4004033","10.6147","0.0006","9.0978","0.0005","15.2177","0.0009","90","","96.57","0.005","90","","1459.93","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DPT-nor","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.061","0.0574","","","0.1638","0.1715","","","","","","1.05","","","","has coordinates","269511","2021-10-03","21:48:35",""
"4004034","26.8453","0.0016","5.7386","0.0003","7.249","0.0004","90","","107.645","0.006","90","","1064.2","0.11","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DPT-eve","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","0.5","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","1.54184","CuKα","","0.0388","0.038","","","0.1011","0.1027","","","","","","1.067","","","","has coordinates","269512","2021-10-03","21:48:56",""
"4004035","20.488","0.0004","15.7873","0.0002","16.812","0.0004","90","","95.489","0.002","90","","5412.91","0.18","121","2","121","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","JUK-20-chx","","","- C35 H28 Cd N8 O5 -","- C35 H28 Cd N8 O5 -","- C140 H112 Cd4 N32 O20 -","4","1","","Jędrzejowski, Damian; Pander, Marzena; Nitek, Wojciech; Bury, Wojciech; Matoga, Dariusz","Turning Flexibility into Rigidity: Stepwise Locking of Interpenetrating Networks in a MOF Crystal through Click Reaction","Chemistry of Materials","2021","33","18","7509","7517","10.1021/acs.chemmater.1c02451","","x-ray","0.71073","MoKα","","0.1463","0.1067","","","0.2639","0.2979","","","","","","1.054","","","","has coordinates,has disorder","269513","2021-10-03","21:49:21",""
"4004044","16.378","0.003","16.378","0.003","27.376","0.007","90","","90","","90","","7343","3","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","NaCu3(C2H3N4)4","'NaCu3(C2H3N4)4'","","- C8 H12 Cu3 N16 Na -","- C8 H12 Cu3 N16 Na -","- C128 H192 Cu48 N256 Na16 -","16","0.5","","Lu, Ying-Bing; Liao, Ya-Qing; Dong, Lu; Zhu, Shui-Dong; Wen, He-Rui; Huang, Jing; Dai, Xue-Xun; Lian, Ping; Jiang, Xiao-Ming; Li, Rong; Xie, Yong-Rong","Ultra-Stable Metal–Organic Framework with Concurrent High Proton Conductivity and Fluorescence Sensing for Nitrobenzene","Chemistry of Materials","2021","33","19","7858","7868","10.1021/acs.chemmater.1c02562","","","0.71073","MoKα","","0.039","0.0387","","","0.165","0.1653","","","","","","1.429","","","","has coordinates","270263","2021-11-03","22:33:29",""
"4004045","46.14","0.005","46.14","0.005","46.14","0.005","90","","90","","90","","98227","18","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 Cu2 N2 O11 -","- C40.5 H18 Cu2 N O11 -","- C972 H432 Cu48 N24 O264 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.107","0.0809","","","0.2426","0.2888","","","","","","1.148","","","","has coordinates,has disorder","270264","2021-11-03","22:35:53",""
"4004046","46.47","0.005","46.47","0.005","46.47","0.005","90","","90","","90","","100350","19","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 N2 O11 Zn2 -","- C40.5 H18 N2 O11 Zn2 -","- C972 H432 N48 O264 Zn48 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.0922","0.0787","","","0.2415","0.2698","","","","","","1.139","","","","has coordinates,has disorder","270264","2021-11-03","22:35:54",""
"4004047","46.52","0.005","46.52","0.005","46.52","0.005","90","","90","","90","","100674","19","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C41 H18 Co2 N2 O11 -","- C40.5 H22 Co2 N2 O11 -","- C972 H528 Co48 N48 O264 -","24","0.125","","Walenszus, Francesco; Evans, Jack D.; Bon, Volodymyr; Schwotzer, Friedrich; Senkovska, Irena; Kaskel, Stefan","Integration of Fluorescent Functionality into Pressure-Amplifying Metal–Organic Frameworks","Chemistry of Materials","2021","33","20","7964","7971","10.1021/acs.chemmater.1c01804","","","0.895","synchrotron","","0.1778","0.1445","","","0.3768","0.4208","","","","","","1.945","","","","has coordinates,has disorder","270264","2021-11-03","22:35:54",""
"4004048","16.6247","0.0015","16.6247","0.0015","22.222","0.002","90","","90","","90","","6141.7","1","90","2","90","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- Ba0.25 Ca3.42 Mg1.18 Sb11 Yb10.15 -","- Ba0.2472 Ca3.4166 Mg1.1824 Sb11 Yb10.153 -","- Ba1.9776 Ca27.3328 Mg9.4592 Sb88 Yb81.224 -","8","0.25","","Perez, Christopher J.; Cerretti, Giacomo; Wille, Elizabeth L. K.; Devlin, Kasey P.; Grewal, Navtej S.; Justl, Andrew P.; Wood, Maxwell; Bux, Sabah K.; Kauzlarich, Susan M.","Evolution of Thermoelectric Properties in the Triple Cation Zintl Phase: Yb13–xCaxBaMgSb11 (x = 1–6)","Chemistry of Materials","2021","33","20","8059","8069","10.1021/acs.chemmater.1c02584","","","0.71073","MoKα","","0.0208","0.0199","","","0.0435","0.0438","","","","","","1.183","","","","has coordinates,has disorder","270265","2021-11-03","22:36:53",""
"4004049","6.5845","0.0002","3.8012","0.0001","7.7116","0.0002","90","","106.548","0.001","90","","185.019","0.009","273","2","273.15","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr K Se2 -","- Cr K Se2 -","- Cr2 K2 Se4 -","2","0.25","","Song, Xiaoyu; Schneider, Sarah N.; Cheng, Guangming; Khoury, Jason F.; Jovanovic, Milena; Yao, Nan; Schoop, Leslie M.","Kinetics and Evolution of Magnetism in Soft-Chemical Synthesis of CrSe2 from KCrSe2","Chemistry of Materials","2021","33","20","8070","8078","10.1021/acs.chemmater.1c02620","","","0.71073","MoKα","","0.0189","0.0179","","","0.0428","0.0432","","","","","","1.417","","","","has coordinates","270266","2021-11-03","22:37:16",""
"4004050","13.5717","0.0018","13.5717","0.0018","9.9759","0.0018","90","","90","","120","","1591.3","0.4","250","2","250","","","","","","","","","6","P -3 1 m","-P 3 2","162","2","","","- C14 H24 Cl2 Fe2 N2 O4 -","- C8.66667 H8.0004 Cl2 Fe0.666667 N0.666667 O4 -","- C26 H24.0012 Cl6 Fe2 N2 O12 -","3","0.25","","Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David","Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order","Chemistry of Materials","2021","33","22","8712","8721","10.1021/acs.chemmater.1c02670","","","1.54178","CuKα","","0.1294","0.1011","","","0.2595","0.2916","","","","","","1.09","","","","has coordinates,has disorder","271063","2021-12-03","23:11:44",""
"4004051","6.9973","0.001","12.147","0.0017","18.2554","0.0025","90","","90.7345","0.0026","90","","1551.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- N O2 Si Y -","- N O2 Si Y -","- N24 O48 Si24 Y24 -","24","3","","Kitagawa, Yuuki; Ueda, Jumpei; Fujii, Kotaro; Yashima, Masatomo; Funahashi, Shiro; Nakanishi, Takayuki; Takeda, Takashi; Hirosaki, Naoto; Hongo, Kenta; Maezono, Ryo; Tanabe, Setsuhisa","Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N","Chemistry of Materials","2021","33","22","8873","8885","10.1021/acs.chemmater.1c03139","","","0.71073","MoKα","","0.0784","0.0309","","","","0.0684","","","","","","0.863","","","","has coordinates","271064","2021-12-03","23:12:16",""
"4004052","8.4328","0.0002","9.8807","0.0002","9.9005","0.0002","68.215","0.002","74.887","0.002","84.956","0.002","739.49","0.03","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9S16Cl","","","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","- Cd Cl Ga9 K4 S16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.041","0.0388","","","0.0817","0.0826","","","","","","1.017","","","","has coordinates","271065","2021-12-03","23:12:33",""
"4004053","8.772","0.0003","10.2955","0.0003","10.3146","0.0003","68.356","0.002","74.92","0.003","84.93","0.002","836.01","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","K4CdGa9Se16Cl","","","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","- Cd Cl Ga9 K4 Se16 -","1","1","","Pei, Shao-Min; Liu, Bin-Wen; Jiang, Xiao-Ming; Zou, Ya-Qian; Chen, Wen-Fa; Yan, Qiu-Nan; Guo, Guo-Cong","Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations","Chemistry of Materials","2021","33","22","8831","8837","10.1021/acs.chemmater.1c03046","","","0.71073","MoKα","","0.0582","0.0448","","","0.0873","0.0916","","","","","","0.955","","","","has coordinates","271066","2021-12-03","23:12:46",""
"4004054","22.57","0.05","28.68","0.06","10.94","0.03","90","","90","","90","","7082","3","293","2","293","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C45 H46 Co6 O34 -","- C45 H46 Co6 O34 -","- C180 H184 Co24 O136 -","4","1","","Qazvini, Omid T.; Scott, Victoria-Jayne; Bondorf, Linda; Ducamp, Maxime; Hirscher, Michael; Coudert, François-Xavier; Telfer, Shane G.","Flexibility of a Metal–Organic Framework Enhances Gas Separation and Enables Quantum Sieving","Chemistry of Materials","2021","33","22","8886","8894","10.1021/acs.chemmater.1c03170","","","1.54178","CuKα","","0.1463","0.1107","","","0.2647","0.2985","","","","","","1.099","","","","has coordinates","271067","2021-12-03","23:13:11",""
"4004055","15.2567","0.003","8.8952","0.0002","8.8314","0.0011","90","","124.806","0.0028","90","","984.1","0.2","","","","","","","","","","","","5","C 1 2 1","C 2y","5","","Trisodium manganese(II) titanium(IV) phosphate","","- Mn2 Na6 O24 P6 Ti2 -","- Mn2 Na6 O24 P6 Ti2 -","- Mn4 Na12 O48 P12 Ti4 -","2","0.5","","Snarskis, G; Pilipavicius, J; Gryaznov, D; Mikoliunaite, L; Vilciauskas, L","Peculiarities of Phase Formation in Mn-based NASICON Systems: The Case of Na1+2xMnxTi2-x(PO4)3(0.0<=x<=1.5)","Chemistry of Materials","2021","33","","8394","8403","10.1021/acs.chemmater.1c02775","","","","","","0.0702","","","","","","","","","","","","","","","has coordinates","271681","2022-01-03","08:57:02",""
"4004056","21.7545","0.0003","23.2675","0.0004","35.6129","0.0005","92.351","0.001","98.585","0.001","110.774","0.001","16579.2","0.5","172.99","0.1","172.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C185 H278 Ag43 K N6 O112 P5 W30 -","- C185 H278 Ag43 K N6 O112 P5 W30 -","- C370 H556 Ag86 K2 N12 O224 P10 W60 -","2","1","","Zhang, Shan-Shan; Chen, Jing-Yi; Li, Kai; Yuan, Jun-Di; Su, Hai-Feng; Wang, Zhi; Kurmoo, Mohamedally; Li, Ying-Zhou; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di; Zheng, Lansun","Janus Cluster: Asymmetric Coverage of a Ag43 Cluster on the Symmetric Preyssler P5W30 Polyoxometalate","Chemistry of Materials","2021","33","24","9708","9714","10.1021/acs.chemmater.1c03418","","x-ray","0.71073","MoKα","","0.0669","0.05","","","0.0989","0.104","","","","","","1.07","","","","has coordinates","271766","2022-01-03","23:16:00",""
"4004057","4.654","0.0004","4.654","0.0004","7.6686","0.0015","90","","90","","120","","143.85","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.28 Mn0.86 Sb2 Yb2 -","- Ag0.26 Mn0.88 Sb2 Yb2 -","- Ag0.26 Mn0.88 Sb2 Yb2 -","1","0.0833333","","Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing","Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)","Chemistry of Materials","2021","33","24","9732","9740","10.1021/acs.chemmater.1c03527","","","0.71073","MoKα","","0.0361","0.0327","","","0.0715","0.0738","","","","","","1.222","","","","has coordinates","271767","2022-01-03","23:16:28",""
"4004058","4.6848","0.0006","4.6848","0.0006","7.7443","0.0018","90","","90","","120","","147.2","0.04","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.58 Ca2 Mn0.71 Sb2 -","- Ag0.58 Ca2 Mn0.71 Sb2 -","- Ag0.58 Ca2 Mn0.71 Sb2 -","1","0.0833333","","Liu, Kefeng; Liu, Jian; Liu, Qian; Wang, Qiqi; Yu, Fang; Liu, Xiao-Cun; Xia, Sheng-Qing","Phase Transitions, Structure Evolution, and Thermoelectric Properties Based on A2MnSb2 (A = Ca, Yb)","Chemistry of Materials","2021","33","24","9732","9740","10.1021/acs.chemmater.1c03527","","","0.71073","MoKα","","0.035","0.0319","","","0.0746","0.0785","","","","","","1.34","","","","has coordinates","271768","2022-01-03","23:16:45",""
"4038976","11.1306","0.0002","12.3357","0.0002","18.7045","0.0003","75.087","0.001","81.135","0.001","74.475","0.001","2381.11","0.07","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 Cl2 Fe3 O8 P4 -","- C50 H36 Cl2 Fe3 O8 P4 -","- C100 H72 Cl4 Fe6 O16 P8 -","2","1","","Rahaman, Ahibur; Lisensky, George C.; Haukka, Matti; Tocher, Derek A.; Richmond, Michael G.; Colbran, Stephen B.; Nordlander, Ebbe","Proton reduction by phosphinidene-capped triiron clusters","Journal of Organometallic Chemistry","2021","943","","121816","","10.1016/j.jorganchem.2021.121816","","","0.71073","MoKα","","0.0701","0.0533","","","0.1208","0.1316","","","","","","1.087","","","","has coordinates","272284","2022-01-27","10:11:26",""
"4038977","16.9095","0.0003","10.2409","0.0002","25.6135","0.0005","90","","109.037","0.002","90","","4192.87","0.15","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H32 Fe3 O7 P4 -","- C45 H32 Fe3 O7 P4 -","- C180 H128 Fe12 O28 P16 -","4","1","","Rahaman, Ahibur; Lisensky, George C.; Haukka, Matti; Tocher, Derek A.; Richmond, Michael G.; Colbran, Stephen B.; Nordlander, Ebbe","Proton reduction by phosphinidene-capped triiron clusters","Journal of Organometallic Chemistry","2021","943","","121816","","10.1016/j.jorganchem.2021.121816","","","0.71073","MoKα","","0.0824","0.0455","","","0.0967","0.1128","","","","","","1.016","","","","has coordinates","272285","2022-01-27","10:11:39",""
"4038978","11.13225","0.00004","20.92716","0.00009","21.95729","0.00009","90","","96.8651","0.0004","90","","5078.64","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H40 Cl2 Fe4 O7 P4 -","- C54 H40 Cl2 Fe4 O7 P4 -","- C216 H160 Cl8 Fe16 O28 P16 -","4","1","","Rahaman, Ahibur; Lisensky, George C.; Haukka, Matti; Tocher, Derek A.; Richmond, Michael G.; Colbran, Stephen B.; Nordlander, Ebbe","Proton reduction by phosphinidene-capped triiron clusters","Journal of Organometallic Chemistry","2021","943","","121816","","10.1016/j.jorganchem.2021.121816","","x-ray","1.54184","CuKα","","0.0287","0.0275","","","0.0696","0.0703","","","","","","1.046","","","","has coordinates","272286","2022-01-27","10:11:53",""
"4039020","7.304029","0.000064","11.637716","0.000099","17.10647","0.00021","90","","107.217","0.00094","90","","1388.93","0.03","294","","294","2","","","1000","","","","","5","P 1 21/c 1","-P 2ybc","14","","methylammonium pentaborate mono N-methylformamide","","- C3 H15 B5 N2 O11 -","- C3 H15 B5 N2 O11 -","- C12 H60 B20 N8 O44 -","4","1","","Wied, Jan K.; Bsharat, Ahd; Sauskojus, Wolfgang; Mangstl, Martin; Weber, Johannes; Schmedt auf der Günne, Jörn","Volume Increments for Crystalline Borates","European Journal of Inorganic Chemistry","2021","2022","3","","","10.1002/ejic.202100908","powder diffraction","x-ray","1.5406","CuKα1","","1.737","","","","","","","","2.38","","","","","","","has coordinates","287582","2023-11-14","13:21:53",""
"4135498","8.677","0.007","12.469","0.008","13.453","0.01","98.51","0.02","98.6","0.04","105.218","0.015","1361.7","1.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H78 O10 P4 Re2 -","- C50 H78 O10 P4 Re2 -","- C50 H78 O10 P4 Re2 -","1","0.5","","Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M.","Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst.","Journal of the American Chemical Society","2021","143","2","945","954","10.1021/jacs.0c11110","","","1.54184","CuKα","","0.0232","0.0225","","","0.0563","0.0566","","","","","","1.164","","","","has coordinates","261499","2021-02-04","03:30:22",""
"4135499","8.1984","0.0005","13.376","0.0007","24.3513","0.0017","79.938","0.003","86.858","0.003","84.443","0.002","2615","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 O4 P2 Re -","- C24 H39 O4 P2 Re -","- C96 H156 O16 P8 Re4 -","4","2","","Hu, Jenny; Bruch, Quinton J.; Miller, Alexander J. M.","Temperature and Solvent Effects on H<sub>2</sub> Splitting and Hydricity: Ramifications on CO<sub>2</sub> Hydrogenation by a Rhenium Pincer Catalyst.","Journal of the American Chemical Society","2021","143","2","945","954","10.1021/jacs.0c11110","","","1.54178","CuKα","","0.0223","0.0215","","","0.0499","0.0503","","","","","","1.164","","","","has coordinates","261499","2021-02-04","03:30:22",""
"4135500","8.8548","0.0007","27.5888","0.0019","9.0559","0.0007","90","","115.112","0.005","90","","2003.2","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H42 I N3 Ni O2 -","- C50 H42 I N3 Ni O2 -","- C100 H84 I2 N6 Ni2 O4 -","2","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54178","CuKα","","0.0619","0.0477","","","0.0964","0.101","","","","","","0.973","","","","has coordinates","261500","2021-02-04","03:30:42",""
"4135501","10.06432","0.00011","13.6461","0.0002","35.016","0.0004","90","","90","","90","","4809.05","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H48.5 N3.5 Ni O2.5 -","- C54.5 H48.5 N3.5 Ni O2.5 -","- C218 H194 N14 Ni4 O10 -","4","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54184","CuKα","","0.0746","0.0635","","","0.1678","0.1794","","","","","","1.048","","","","has coordinates,has disorder","261500","2021-02-04","03:30:42",""
"4135502","15.9739","0.0011","10.4011","0.0008","18.7687","0.0015","90","","111.217","0.004","90","","2907","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H81 N6 Ni O2 -","- C71 H81 N6 Ni O2 -","- C142 H162 N12 Ni2 O4 -","2","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54178","CuKα","","0.0502","0.0472","","","0.1235","0.1254","","","","","","1.024","","","","has coordinates","261500","2021-02-04","03:30:42",""
"4135503","9.6441","0.0008","28.862","0.002","42.241","0.002","90","","90","","90","","11757.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 N3 Ni O2 -","- C55 H52 N3 Ni O2 -","- C440 H416 N24 Ni8 O16 -","8","2","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","0.71073","MoKα","","0.1962","0.082","","","0.1623","0.2031","","","","","","0.961","","","","has coordinates,has disorder","261500","2021-02-04","03:30:42",""
"4135504","12.9686","0.0015","17.018","0.002","14.8907","0.0017","90","","99.641","0.002","90","","3240","0.7","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Bi F6 N3 O6 S4 -","- C28 H20 Bi F6 N3 O6 S4 -","- C112 H80 Bi4 F24 N12 O24 S16 -","4","1","","Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang","Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.","Journal of the American Chemical Society","2021","143","3","1590","1597","10.1021/jacs.0c12015","","","0.71073","MoKα","","0.031","0.0235","","","0.0557","0.0584","","","","","","1.055","","","","has coordinates,has disorder","261503","2021-02-04","03:31:37",""
"4135505","17.628","0.014","15.7","0.012","19.843","0.015","90","","97.887","0.01","90","","5440","7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Bi2 F12 N4 O16 S4 -","- C40 H42 Bi2 F12 N4 O16 S4 -","- C160 H168 Bi8 F48 N16 O64 S16 -","4","1","","Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang","Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.","Journal of the American Chemical Society","2021","143","3","1590","1597","10.1021/jacs.0c12015","","","0.71073","MoKα","","0.0653","0.0398","","","0.0838","0.093","","","","","","1.054","","","","has coordinates","261503","2021-02-04","03:31:37",""
"4135506","13.658","0.005","17.056","0.006","14.691","0.005","90","","98.946","0.004","90","","3381","2","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Bi F6 N3 O6 S2 -","- C32 H24 Bi F6 N3 O6 S2 -","- C128 H96 Bi4 F24 N12 O24 S8 -","4","1","","Ma, Wenqiang; Xu, Letian; Zhang, Sikun; Li, Guoping; Ma, Tianyu; Rao, Bin; Zhang, Mingming; He, Gang","Phosphorescent Bismoviologens for Electrophosphorochromism and Visible Light-Induced Cross-Dehydrogenative Coupling.","Journal of the American Chemical Society","2021","143","3","1590","1597","10.1021/jacs.0c12015","","","0.71073","MoKα","","0.0882","0.0545","","","0.1309","0.1515","","","","","","1.044","","","","has coordinates,has disorder","261503","2021-02-04","03:31:37",""
"4135507","18.2062","0.0004","18.2062","0.0004","50.559","0.0019","90","","90","","120","","14513.4","0.7","100","0.1","100","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C72 H48 N12 O50 Pb4 Zr9 -","- C72 H48 N12 O50 Pb4 Zr9 -","- C216 H144 N36 O150 Pb12 Zr27 -","3","0.166667","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","","1.54184","CuKα","","0.0813","0.0746","","","0.2156","0.2263","","","","","","1.071","","","","has coordinates,has disorder","261501","2021-02-04","03:31:08",""
"4135508","9.8779","0.0001","12.4026","0.0002","19.6503","0.0004","88.951","0.001","78.258","0.001","87.952","0.001","2355.36","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C72 H112 Mo4 N12 O36 Zr6 -","- C72 H112 Mo4 N12 O36 Zr6 -","- C72 H112 Mo4 N12 O36 Zr6 -","1","0.5","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0881","0.0892","","","","","","1.094","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4135509","18.3642","0.0007","18.3642","0.0007","33.9939","0.0015","90","","90","","120","","9928.3","0.7","100","2","100","2","","","","","","","","7","P 3 1 c","P 3 -2c","159","","","","- C36 H24 I7 N6 O47 Pb2 Zr9 -","- C36 H24 I7 N6 O47 Pb2 Zr9 -","- C72 H48 I14 N12 O94 Pb4 Zr18 -","2","0.333333","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","","0.71073","MoKα","","0.0849","0.0806","","","0.2191","0.2239","","","","","","1.067","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4135510","15.71033","0.00008","19.70013","0.0001","19.76725","0.00011","90","","103.716","0.0005","90","","5943.4","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H57 Cl Co N8 O20 Zr3 -","- C44 H57 Cl Co N8 O20 Zr3 -","- C176 H228 Cl4 Co4 N32 O80 Zr12 -","4","1","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","x-ray","1.54184","CuKα","","0.0573","0.0555","","","0.1373","0.1384","","","","","","1.121","","","","has coordinates,has disorder","261501","2021-02-04","03:31:08",""
"4135511","15.1229","0.0003","20.0995","0.0004","25.5356","0.0004","76.234","0.002","79.884","0.001","68.246","0.002","6969","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H54 Br12 N6 O20 Pd5 Zr6 -","- C66 H54 Br12 N6 O20 Pd5 Zr6 -","- C132 H108 Br24 N12 O40 Pd10 Zr12 -","2","1","","Gong, Wei; Arman, Hadi; Chen, Zhijie; Xie, Yi; Son, Florencia A.; Cui, Hui; Chen, Xinfa; Shi, Yanshu; Liu, Yan; Chen, Banglin; Farha, Omar K.; Cui, Yong","Highly Specific Coordination-Driven Self-Assembly of 2D Heterometallic Metal-Organic Frameworks with Unprecedented Johnson-type (<i>J</i><sub>51</sub>) Nonanuclear Zr-Oxocarboxylate Clusters.","Journal of the American Chemical Society","2021","143","2","657","663","10.1021/jacs.0c11881","","x-ray","1.54184","CuKα","","0.0946","0.0867","","","0.1904","0.1941","","","","","","1.162","","","","has coordinates","261501","2021-02-04","03:31:08",""
"4135512","11.9047","0.0006","6.0106","0.0004","9.713","0.0006","90","","90","","90","","695.01","0.07","293","2","293","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C5 H16 Br4 N Pb -","- C5 H16 Br4 N2 Pb -","- C10 H32 Br8 N4 Pb2 -","2","0.25","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0996","0.082","","","0.2151","0.2286","","","","","","1.126","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135513","6.0177","0.0003","12.0789","0.0005","9.9796","0.0004","90","","90.145","0.004","90","","725.39","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0694","0.0679","","","0.1764","0.1774","","","","","","1.074","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135514","6.0691","0.0004","12.1645","0.0006","10.0438","0.0005","90","","90.154","0.005","90","","741.51","0.07","448","2","448","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H16 Br4 N P Pb -","- C5 H16 Br4 N P Pb -","- C10 H32 Br8 N2 P2 Pb2 -","2","1","","Zhang, Han-Yue; Zhang, Zhi-Xu; Chen, Xiao-Gang; Song, Xian-Jiang; Zhang, Yi; Xiong, Ren-Gen","Large Electrostrictive Coefficient in a Two-Dimensional Hybrid Perovskite Ferroelectric.","Journal of the American Chemical Society","2021","143","3","1664","1672","10.1021/jacs.0c12907","","","0.71073","MoKα","","0.0963","0.0823","","","0.2139","0.2206","","","","","","1.017","","","","has coordinates","261502","2021-02-04","03:31:21",""
"4135515","9.8868","0.0003","11.3094","0.0005","19.5352","0.0007","91.166","0.003","94.315","0.003","90.523","0.003","2177.54","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H88 B4 Co2 F12 N24 P2 -","- C79 H88 B4 Co2 F12.008 N24 P2 -","- C79 H88 B4 Co2 F12.008 N24 P2 -","1","0.5","","Kaufhold, Simon; Rosemann, Nils W.; Chábera, Pavel; Lindh, Linnea; Bolaño Losada, Iria; Uhlig, Jens; Pascher, Torbjörn; Strand, Daniel; Wärnmark, Kenneth; Yartsev, Arkady; Persson, Petter","Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex.","Journal of the American Chemical Society","2021","143","3","1307","1312","10.1021/jacs.0c12151","","","0.71073","MoKα","","0.0705","0.0511","","","0.1076","0.1174","","","","","","1.02","","","","has coordinates,has disorder","261504","2021-02-04","03:31:50",""
"4135516","11.7841","0.0003","14.7106","0.0005","15.8655","0.0005","110.309","0.002","97.196","0.002","100.853","0.002","2478.35","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H20.5 B F9 N -","- C27.5 H20.5 B F9 N -","- C110 H82 B4 F36 N4 -","4","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.089","0.0548","","","0.1334","0.1544","","","","","","1.013","","","","has coordinates,has disorder","261059","2021-01-19","23:59:56",""
"4135517","9.3001","0.0003","27.1592","0.001","14.5554","0.0005","90","","99.578","0.002","90","","3625.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 B F9 N2 -","- C41 H32 B F9 N2 -","- C164 H128 B4 F36 N8 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.1094","0.0797","","","0.2019","0.2284","","","","","","1.062","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135518","8.6995","0.0003","12.2055","0.0004","15.8773","0.0005","95.526","0.002","90.646","0.002","96.315","0.002","1667.45","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 B F9 N2 -","- C31 H28 B F9 N2 -","- C62 H56 B2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0671","0.0456","","","0.111","0.1211","","","","","","1.036","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135519","11.2377","0.0003","11.1974","0.0002","24.4577","0.0006","90","","90.739","0.002","90","","3077.33","0.12","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 B F9 N2 -","- C33 H32 B F9 N2 -","- C132 H128 B4 F36 N8 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0818","0.0559","","","0.1348","0.1489","","","","","","1.03","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135520","8.6311","0.0007","14.6478","0.0012","15.7274","0.0012","109.702","0.005","92.143","0.005","92.957","0.006","1866.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 B F9 N2 -","- C40 H44 B F9 N2 -","- C80 H88 B2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.1096","0.0615","","","0.1383","0.1672","","","","","","1.041","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135521","13.7751","0.0003","11.5702","0.0002","17.4052","0.0004","90","","97.609","0.001","90","","2749.63","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B F9 N2 -","- C30 H26 B F9 N2 -","- C120 H104 B4 F36 N8 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0544","0.0422","","","0.0937","0.0998","","","","","","1.072","","","","has coordinates","261059","2021-01-19","23:59:57",""
"4135522","10.4043","0.0003","11.6812","0.0003","13.5156","0.0003","92.081","0.001","94.373","0.001","113.272","0.001","1500.61","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 B F9 N2 O2 -","- C29 H30 B F9 N2 O2 -","- C58 H60 B2 F18 N4 O4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0456","0.0412","","","0.0934","0.096","","","","","","1.032","","","","has coordinates","261059","2021-01-19","23:59:57",""
"4135523","8.6969","0.0001","11.9109","0.0002","17.6858","0.0003","92.728","0.001","95.676","0.001","97.742","0.001","1802.98","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H28 B F9 N2 -","- C35 H28 B F9 N2 -","- C70 H56 B2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0687","0.0504","","","0.1172","0.1267","","","","","","1.029","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135524","22.8203","0.0006","8.8132","0.0003","31.8125","0.0009","90","","90","","90","","6398.1","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C36 H30 B F9 N2 O -","- C36 H30 B F9 N2 O -","- C288 H240 B8 F72 N16 O8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0376","0.033","","","0.0784","0.081","","","","","","1.029","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135525","8.7867","0.0002","12.7686","0.0002","16.8144","0.0003","102.723","0.001","103.383","0.001","91.86","0.001","1783.25","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 B Br F9 N2 -","- C38 H34 B Br F9 N2 -","- C76 H68 B2 Br2 F18 N4 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0347","0.0316","","","0.0804","0.0823","","","","","","1.034","","","","has coordinates,has disorder","261059","2021-01-19","23:59:57",""
"4135526","17.0933","0.0003","9.8292","0.0002","17.4543","0.0003","90","","95.43","0.001","90","","2919.4","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B F9 N -","- C34 H25 B F9 N -","- C136 H100 B4 F36 N4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0438","0.0376","","","0.1002","0.1045","","","","","","1.041","","","","has coordinates","261060","2021-01-20","00:02:34",""
"4135527","34.991","0.003","34.991","0.003","12.8827","0.001","90","","90","","120","","13660","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H25 B F9 N -","- C34 H25 B F9 N -","- C612 H450 B18 F162 N18 -","18","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0779","0.0528","","","0.1252","0.1418","","","","","","1.04","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135528","28.1571","0.0016","9.619","0.0005","28.4643","0.0016","90","","104.279","0.002","90","","7471.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 B F9 S -","- C25 H20 B F9 S -","- C300 H240 B12 F108 S12 -","12","3","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0954","0.0698","","","0.1338","0.1442","","","","","","1.131","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135529","12.9016","0.0011","12.5211","0.0011","27.465","0.002","90","","102.563","0.005","90","","4330.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 B F9 N P -","- C47 H56 B F9 N P -","- C188 H224 B4 F36 N4 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.1053","0.0851","","","0.1684","0.1776","","","","","","1.123","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135530","10.0146","0.0006","11.7824","0.0007","14.7823","0.0009","66.606","0.004","81.108","0.004","68.68","0.004","1491.21","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H21 B Br2 F9 N -","- C32 H21 B Br2 F9 N -","- C64 H42 B2 Br4 F18 N2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0886","0.0604","","","0.1491","0.1623","","","","","","1.09","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135531","8.7614","0.0002","29.9845","0.0007","8.298","0.0002","90","","97.13","0.001","90","","2163.08","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 B F9 N -","- C22 H19 B F9 N -","- C88 H76 B4 F36 N4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0885","0.0719","","","0.1915","0.2099","","","","","","1.041","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135532","23.0146","0.0005","14.3686","0.0003","16.876","0.0004","90","","104.441","0.001","90","","5404.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 B F9 N -","- C24 H23 B F8.997 N -","- C192 H184 B8 F71.976 N8 -","8","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0943","0.088","","","0.2386","0.2474","","","","","","1.066","","","","has coordinates,has disorder","261060","2021-01-20","00:02:34",""
"4135533","12.5513","0.0008","19.8452","0.0013","21.0373","0.0015","109.234","0.002","94.57","0.002","93.812","0.002","4907.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 B F9 N -","- C26 H23 B F9 N -","- C208 H184 B8 F72 N8 -","8","4","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.1789","0.0825","","","0.1666","0.2149","","","","","","1.005","","","","has coordinates,has disorder","261061","2021-01-20","00:04:24",""
"4135534","8.0098","0.0002","15.6527","0.0004","21.2837","0.0005","90","","96.428","0.001","90","","2651.67","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H21 B F9 N -","- C31 H21 B F9 N -","- C124 H84 B4 F36 N4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0575","0.0471","","","0.1054","0.1116","","","","","","1.057","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135535","13.2994","0.0006","12.6152","0.0006","26.6795","0.0011","90","","101.241","0.001","90","","4390.3","0.3","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 B F9 N P -","- C47 H56 B F9 N P -","- C188 H224 B4 F36 N4 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0758","0.0536","","","0.1163","0.1261","","","","","","1.044","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135536","8.6983","0.0002","10.421","0.0002","19.0291","0.0004","77","0.001","76.946","0.001","82.311","0.001","1630.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 B F9 Ir N -","- C40 H34 B F9 Ir N -","- C80 H68 B2 F18 Ir2 N2 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","1.54178","CuKα","","0.0452","0.0383","","","0.0903","0.0936","","","","","","1.115","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135537","25.8026","0.0013","10.3993","0.0005","26.3164","0.0013","90","","110.6","0.002","90","","6609.9","0.6","102","2","102","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 B F9 N Rh -","- C39 H30 B F9 N Rh -","- C312 H240 B8 F72 N8 Rh8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kartha, Kalathil K.; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Introducing the Dihydro-1,3-azaboroles: Convenient Entry by a Three-Component Reaction, Synthetic and Photophysical Application","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12236","","","0.71073","MoKα","","0.0614","0.0432","","","0.0811","0.0882","","","","","","1.047","","","","has coordinates","261061","2021-01-20","00:04:24",""
"4135538","39.4711","0.0003","39.4711","0.0003","66.5589","0.0007","90","","90","","120","","89803.9","1.4","149.99","0.11","149.99","0.11","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C428 H462 B F4 N96 O2 Pd12 -","- C428 H462 B F3.9998 N96 O2 Pd12 -","- C2568 H2772 B6 F23.9988 N576 O12 Pd72 -","6","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","1.3405","GaKα","","0.1149","0.0877","","","0.2513","0.2951","","","","","","1.048","","","","has coordinates","261122","2021-01-21","23:57:08",""
"4135539","16.0016","0.0017","19.225","0.003","65.934","0.009","93.64","0.002","94.207","0.002","113.095","0.002","18513","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C204 H216 B0 F0 N48 O0 Pd6 -","- C204 H216 N48 Pd6 -","- C408 H432 N96 Pd12 -","2","1","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","0.65253","Synchrotron","","0.1676","0.1167","","","0.317","0.3539","","","","","","1.058","","","","has coordinates","261123","2021-01-21","23:57:47",""
"4135540","28.7906","0.0004","28.7906","0.0004","41.6357","0.0019","90","","90","","120","","29888.1","1.5","100.2","0.9","100.2","0.9","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C284 H330 N54 O88 Pd6 -","- C284 H330 N54 O88 Pd6 -","- C568 H660 N108 O176 Pd12 -","2","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","1.3405","GaKα","","0.2206","0.1695","","","0.4232","0.4816","","","","","","1.65","","","","has coordinates","261124","2021-01-21","23:58:23",""
"4135541","39.5433","0.0014","39.5433","0.0014","65.854","0.002","90","","90","","120","","89178","5","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C408 H432 B F4 N96 O0 Pd12 -","- C408 H432 B F3.9998 N96 Pd12 -","- C2448 H2592 B6 F23.9988 N576 Pd72 -","6","0.166667","","Cai, Li-Xuan; Yan, Dan-Ni; Cheng, Pei-Ming; Xuan, Jin-Jin; Li, Shao-Chuan; Zhou, Li-Peng; Tian, Chong-Bin; Sun, Qing-Fu","Controlled Self-Assembly and Multistimuli-Responsive Interconversions of Three Conjoined Twin-Cages.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c12064","","","0.71073","MoKα","","0.1177","0.0782","","","0.2298","0.2553","","","","","","1.591","","","","has coordinates","261125","2021-01-21","23:59:31",""
"4135543","21.9714","0.0005","21.9714","0.0005","17.1198","0.0009","90","","90","","120","","7157.2","0.4","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C132 H66 Eu9 N0 O47 -","- C132 H66 Eu9 O47 -","- C132 H66 Eu9 O47 -","1","0.0833333","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0877","0.0615","","","0.1697","0.1882","","","","","","1.002","","","","has coordinates,has disorder","261202","2021-01-25","23:51:54",""
"4135544","20.6567","0.0004","20.6567","0.0004","42.465","0.002","90","","90","","90","","18119.8","1","140","2","140","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Olex2 1.2 (compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C132 H89 Eu6 N0 O34 -","- C132 H89 Eu6 O34 -","- C264 H178 Eu12 O68 -","2","0.125","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1829","0.0897","","","0.2639","0.3791","","","","","","1.005","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135545","19.4615","0.0002","19.4615","0.0002","33.5718","0.0006","90","","90","","90","","12715.3","0.3","293","2","293","2","","","","","","","","4","P 4/m n c","-P 4 2n","128","","","","- C92 H68 Eu6 O34 -","- C92 H68 Eu6 O34 -","- C184 H136 Eu12 O68 -","2","0.125","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0844","0.0471","","","0.1282","0.1495","","","","","","0.96","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135546","25.8315","0.0002","25.8315","0.0002","18.5628","0.0003","90","","90","","120","","10726.9","0.2","293","2","293","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C168 H84 N3 O47 Y9 -","- C168 H84 N3 O47 Y9 -","- C168 H84 N3 O47 Y9 -","1","0.0416667","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1221","0.1156","","","0.2713","0.2752","","","","","","0.97","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135547","20.6796","0.0008","32.49","0.0005","34.067","0.0006","90","","90","","90","","22888.9","1","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C82 H36 N2 O32 Yb6 -","- C82 H36 N2 O32 Yb6 -","- C328 H144 N8 O128 Yb24 -","4","0.25","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0987","0.0629","","","0.1681","0.1906","","","","","","1.008","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135548","33.2301","0.0016","16.6318","0.0008","25.9567","0.0012","90","","90","","90","","14345.7","1.2","110","2","110","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C72 H36 Eu6 N0 O36 -","- C72 H38 Eu6 O36 -","- C288 H152 Eu24 O144 -","4","0.25","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1143","0.0769","","","0.1999","0.2313","","","","","","0.994","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135549","21.2622","0.0013","34.585","0.002","25.8759","0.0015","90","","92.438","0.003","90","","19010.7","1.9","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H42 Eu6 N2 O35 -","- C84 H42 Eu6 N2 O35 -","- C336 H168 Eu24 N8 O140 -","4","0.5","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.1971","0.0813","","","0.2038","0.2866","","","","","","1.003","","","","has coordinates","261202","2021-01-25","23:51:55",""
"4135550","18.8477","0.0005","19.186","0.0006","25.9293","0.0006","77.192","0.002","82.391","0.002","61.252","0.003","8012.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C83.5 H47.5 Eu6 F N3.5 O34.75 -","- C83.5 H47.5 Eu6 F N3.5 O34.75 -","- C167 H95 Eu12 F2 N7 O69.5 -","2","1","","Lv, Xiu-Liang; Feng, Liang; Xie, Lin-Hua; He, Tao; Wu, Wei; Wang, Kun-Yu; Si, Guangrui; Wang, Bin; Li, Jian-Rong; Zhou, Hong-Cai","Linker Desymmetrization: Access to a Series of Rare-Earth Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c11546","","","1.54178","CuKα","","0.0858","0.0553","","","0.1462","0.1669","","","","","","0.959","","","","has coordinates,has disorder","261202","2021-01-25","23:51:55",""
"4135551","5.8732","0.0002","7.3387","0.0003","32.129","0.0014","90","","90","","90","","1384.81","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi","A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c09504","","x-ray","1.54184","CuKα","","0.0364","0.0307","","","0.083","0.0836","","","","","","1.101","","","","has coordinates","261275","2021-01-27","23:49:48",""
"4135552","7.3854","0.0001","5.8539","0.0001","17.0708","0.0002","90","","93.674","0.001","90","","736.512","0.018","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H17 Br O -","- C18 H17 Br O -","- C36 H34 Br2 O2 -","2","1","","Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi","A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c09504","","x-ray","1.54184","CuKα","","0.0342","0.0338","","","0.089","0.0892","","","","","","1.13","","","","has coordinates","261276","2021-01-27","23:50:10",""
"4135553","7.1245","0.0001","10.7356","0.0001","19.3304","0.0001","90","","90","","90","","1478.5","0.03","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0312","0.0305","","","0.0854","0.0859","","","","","","1.049","","","","has coordinates","261432","2021-02-04","00:27:20",""
"4135554","6.9529","0.0001","11.3947","0.0001","15.9363","0.0001","90","","90","","90","","1262.57","0.02","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0403","0.0399","","","0.1217","0.1223","","","","","","1.048","","","","has coordinates,has disorder","261433","2021-02-04","00:27:46",""
"4135555","6.43106","0.00006","6.6975","0.00004","28.04143","0.00019","90","","90","","90","","1207.8","0.016","291.15","","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0375","0.037","","","0.0994","0.0998","","","","","","1.079","","","","has coordinates,has disorder","261434","2021-02-04","00:28:11",""
"4135556","10.38073","0.00007","6.43018","0.00005","12.80016","0.0001","90","","105.967","0.0007","90","","821.448","0.011","291.15","","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 F N O3 -","- C19 H16 F N O3 -","- C38 H32 F2 N2 O6 -","2","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0358","0.0351","","","0.0995","0.1003","","","","","","1.044","","","","has coordinates","261435","2021-02-04","00:28:34",""
"4135557","13.0619","0.0012","17.9017","0.0017","22.873","0.002","103.46","0.002","101.469","0.002","91.663","0.002","5081.7","0.8","296.15","","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H76 O20 -","- C52 H75 O20 -","- C208 H300 O80 -","4","2","","Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L.","Molecular Entrapment of Polymers by Pyrogallol[4]arenes.","Journal of the American Chemical Society","2021","143","2","693","698","10.1021/jacs.0c12685","","","0.71073","MoKα","","0.0793","0.0552","","","0.147","0.1666","","","","","","1.029","","","","has coordinates,has disorder","261436","2021-02-04","00:29:29",""
"4135558","11.6204","0.0007","23.4636","0.0012","35.458","0.002","90","","96.637","0.002","90","","9603.1","0.9","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H122 N O31.5 -","- C90 H122 N O31.5 -","- C360 H488 N4 O126 -","4","1","","Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L.","Molecular Entrapment of Polymers by Pyrogallol[4]arenes.","Journal of the American Chemical Society","2021","143","2","693","698","10.1021/jacs.0c12685","","","0.71073","MoKα","","0.1583","0.0819","","","0.216","0.2659","","","","","","1.036","","","","has coordinates,has disorder","261437","2021-02-04","00:30:02",""
"4135559","45.4178","0.0015","9.3163","0.0003","23.3301","0.0009","90","","119.415","0.002","90","","8599","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H61 O16.5 -","- C44 H61 O16.5 -","- C352 H488 O132 -","8","1","","Shao, Li; Zhang, Hanwen; He, Xiaoqing; Hua, Bin; Hu, Xiangquan; Wan, Caixia; Kelley, Steven P.; Atwood, Jerry L.","Molecular Entrapment of Polymers by Pyrogallol[4]arenes.","Journal of the American Chemical Society","2021","143","2","693","698","10.1021/jacs.0c12685","","","1.54178","CuKα","","0.0724","0.0681","","","0.1793","0.1827","","","","","","1.122","","","","has coordinates","261438","2021-02-04","00:30:30",""
"4135560","8.0048","0.0003","9.3168","0.0003","25.9145","0.0009","90","","90","","90","","1932.68","0.12","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 B N O2 -","- C21 H30 B N O2 -","- C84 H120 B4 N4 O8 -","4","1","","Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin","Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.","Journal of the American Chemical Society","2021","143","2","675","680","10.1021/jacs.0c12042","","","","","","","","","","","","","","","","","","","","","has coordinates","276363","2022-06-28","17:41:05",""
"4135561","14.3036","0.0007","23.2545","0.0012","28.5467","0.0015","90","","90","","90","","9495.3","0.8","","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C110 H61 Cl4 F14 N3 O8 P2 S2 -","- C110 H61 Cl4 F14 N3 O8 P2 S2 -","- C440 H244 Cl16 F56 N12 O32 P8 S8 -","4","1","","Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin","Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.","Journal of the American Chemical Society","2021","143","2","675","680","10.1021/jacs.0c12042","","","","","","","","","","","","","","","","","","","","","has coordinates","276363","2022-06-28","17:41:05",""
"4135562","12.0656","0.0005","21.6889","0.0009","14.4031","0.0006","90","","102.949","0.002","90","","3673.3","0.3","100","2","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.83 H29.67 Cl2.67 N3 Ni O -","- C44.8333 H29.6666 Cl2.6666 N3 Ni O -","- C179.333 H118.666 Cl10.6664 N12 Ni4 O4 -","4","1","","Kim, Haesol; Shin, Dongyup; Yang, Woojin; Won, Da Hye; Oh, Hyung-Suk; Chung, Min Wook; Jeong, Donghyuk; Kim, Sun Hee; Chae, Keun Hwa; Ryu, Ji Yeon; Lee, Junseong; Cho, Sung June; Seo, Jiwon; Kim, Hyungjun; Choi, Chang Hyuck","Identification of Single-Atom Ni Site Active toward Electrochemical CO<sub>2</sub> Conversion to CO.","Journal of the American Chemical Society","2021","143","2","925","933","10.1021/jacs.0c11008","","","0.71073","MoKα","","0.0904","0.07","","","0.1557","0.1653","","","","","","1.129","","","","has coordinates,has disorder","261441","2021-02-04","00:31:49",""
"4135563","8.1694","0.0003","16.0398","0.0004","17.6507","0.0005","90","","90","","90","","2312.87","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N5 O5 -","- C25 H24 Br N5 O5 -","- C100 H96 Br4 N20 O20 -","4","1","","Chen, Xiangyang; Thøgersen, Mathias Kirk; Yang, Limin; Lauridsen, Rune F.; Xue, Xiao-Song; Jørgensen, Karl Anker; Houk, K. N.","[8+2] vs [4+2] Cycloadditions of Cyclohexadienamines to Tropone and Heptafulvenes-Mechanisms and Selectivities.","Journal of the American Chemical Society","2021","143","2","934","944","10.1021/jacs.0c10966","","x-ray","0.71073","MoKα","","0.0518","0.0405","","","0.0906","0.0977","","","","","","1.022","","","","has coordinates","261442","2021-02-04","00:32:17",""
"4135564","17.0162","0.0009","9.7018","0.0005","19.8137","0.001","90","","104.895","0.001","90","","3161.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 F12 N2 O3 W -","- C30 H30 F12 N2 O3 W -","- C120 H120 F48 N8 O12 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.0613","0.054","","","0.1373","0.1423","","","","","","1.072","","","","has coordinates","261443","2021-02-04","00:32:46",""
"4135565","11.5516","0.0005","16.6083","0.0008","20.2825","0.0009","90","","95.7816","0.0009","90","","3871.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H63 N O4.5 W -","- C40 H53 N O4 W -","- C160 H212 N4 O16 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.0221","0.0159","","","0.0371","0.038","","","","","","1.052","","","","has coordinates","261444","2021-02-04","00:33:23",""
"4135566","10.3427","0.0004","33.5187","0.0013","11.3695","0.0004","90","","96.9729","0.0007","90","","3912.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N O4 W -","- C45 H58 N O4 W -","- C180 H232 N4 O16 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.031","0.0216","","","0.043","0.0499","","","","","","1.125","","","","has coordinates","261445","2021-02-04","00:33:56",""
"4135567","11.4548","0.0004","16.0612","0.0005","19.5973","0.0007","90","","94.0853","0.0006","90","","3596.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H53 N O4 W -","- C40 H53 N O4 W -","- C160 H212 N4 O16 W4 -","4","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.014","0.0121","","","0.031","0.0315","","","","","","1.034","","","","has coordinates","261446","2021-02-04","00:34:22",""
"4135568","10.1087","0.0006","23.8033","0.0015","28.0735","0.0019","110.006","0.001","93.785","0.001","97.439","0.001","6249.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C138.5 H173 N3 O14.5 W3 -","- C138.5 H173 N3 O14.5 W3 -","- C277 H346 N6 O29 W6 -","2","1","","Jakhar, Vineet; Pal, Digvijayee; Ghiviriga, Ion; Abboud, Khalil A.; Lester, Daniel W.; Sumerlin, Brent S.; Veige, Adam S.","Tethered Tungsten-Alkylidenes for the Synthesis of Cyclic Polynorbornene via Ring Expansion Metathesis: Unprecedented Stereoselectivity and Trapping of Key Catalytic Intermediates.","Journal of the American Chemical Society","2021","143","2","1235","1246","10.1021/jacs.0c12248","","","0.71073","MoKα","","0.1341","0.0455","","","0.065","0.077","","","","","","0.812","","","","has coordinates,has disorder","261447","2021-02-04","00:34:51",""
"4135569","19.4096","0.0016","19.4096","0.0016","19.5602","0.0019","90","","90","","90","","7369","1.1","150","2","149.67","","","","","","","","","4","I -4","I -4","82","","","","- C34 H60 N2 O6.5 -","- C34 H60 N2 O6.5 -","- C272 H480 N16 O52 -","8","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.1764","0.0839","","","0.1921","0.2396","","","","","","0.977","","","","has coordinates,has disorder","261448","2021-02-04","00:36:00",""
"4135570","7.918","0.006","9.651","0.006","17.999","0.013","80.371","0.018","87.27","0.03","67.96","0.03","1256.8","1.6","150","2","149.9","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N2 O2 -","- C27 H46 N2 O3 -","- C54 H92 N4 O6 -","2","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.1077","0.0609","","","0.1487","0.1714","","","","","","0.98","","","","has coordinates","261449","2021-02-04","00:36:31",""
"4135571","10.3158","0.0011","10.9502","0.0011","13.2446","0.0015","112.478","0.005","91.182","0.006","115.343","0.005","1218.6","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H46 N2 O2 -","- C26 H46 N2 O2 -","- C52 H92 N4 O4 -","2","1","","Xu, Maotong; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","Lithium Dicyclohexylamide in Transition-Metal-Free Fischer-Tropsch Chemistry.","Journal of the American Chemical Society","2021","143","2","634","638","10.1021/jacs.0c11482","","","0.71073","MoKα","","0.0614","0.0452","","","0.1146","0.125","","","","","","1.0313","","","","has coordinates","261450","2021-02-04","00:37:02",""
"4135572","23.3169","0.0015","27.5437","0.001","27.5621","0.0019","104.102","0.004","106.303","0.006","107.895","0.005","15076.1","1.9","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C552 H448 F120 Ir4 N64 O8 P20 Zn8 -","2","2","","August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J","A Chiral Cyclometalated Iridium Star of David [2]Catenane.","Journal of the American Chemical Society","2021","143","2","1154","1161","10.1021/jacs.0c12038","","x-ray","0.6889","synchrotron","","0.2053","0.14","","","0.324","0.3499","","","","","","1.759","","","","has coordinates","261451","2021-02-04","00:37:34",""
"4135573","23.1012","0.0015","27.4445","0.0015","27.498","0.0014","104.285","0.005","106.658","0.005","107.91","0.005","14781.4","1.8","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C276 H224 F60 Ir2 N32 O4 P10 Zn4 -","- C552 H448 F120 Ir4 N64 O8 P20 Zn8 -","2","2","","August, David P.; Jaramillo-Garcia, Javier; Leigh, David A.; Valero, Alberto; Vitorica-Yrezabal, Iñigo J","A Chiral Cyclometalated Iridium Star of David [2]Catenane.","Journal of the American Chemical Society","2021","143","2","1154","1161","10.1021/jacs.0c12038","","x-ray","0.6889","synchrotron","","0.1994","0.1498","","","0.3489","0.3738","","","","","","2.19","","","","has coordinates","261452","2021-02-04","00:38:09",""
"4135574","9.4303","0.0007","15.891","0.0011","16.744","0.0012","90","","90","","90","","2509.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 Br O S -","- C13 H13 Br O S -","- C104 H104 Br8 O8 S8 -","8","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0271","0.0223","","","0.0557","0.0579","","","","","","1.062","","","","has coordinates","261453","2021-02-04","00:39:29",""
"4135575","10.25","0.0007","15.3411","0.001","8.6672","0.0005","90","","90.251","0.002","90","","1362.87","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl O S -","- C15 H15 Cl O S -","- C60 H60 Cl4 O4 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0391","0.0357","","","0.0838","0.0857","","","","","","1.177","","","","has coordinates","261453","2021-02-04","00:39:32",""
"4135576","9.1402","0.0004","15.4595","0.0007","19.9824","0.0009","108.465","0.001","102.614","0.001","98.584","0.001","2539.8","0.2","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C96 H144 O16 S8 -","8","4","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0787","0.0522","","","0.1109","0.1201","","","","","","1.037","","","","has coordinates","261453","2021-02-04","00:39:43",""
"4135577","10.0613","0.0011","10.9059","0.0013","20.821","0.002","93.349","0.004","90.495","0.003","109.075","0.003","2154.6","0.4","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 O3 S2 -","- C25 H21.1 O3 S2 -","- C100 H84.4 O12 S8 -","4","2","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0791","0.0709","","","0.182","0.1862","","","","","","1.122","","","","has coordinates,has disorder","261453","2021-02-04","00:39:43",""
"4135578","7.83","0.0003","15.4081","0.0006","17.9103","0.0007","90","","92.518","0.001","90","","2158.71","0.15","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O2 S2 -","- C26 H24 O2 S2 -","- C104 H96 O8 S8 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0323","0.0297","","","0.0725","0.0739","","","","","","1.032","","","","has coordinates,has disorder","261453","2021-02-04","00:39:43",""
"4135579","9.2612","0.0004","19.9966","0.0009","9.1061","0.0004","90","","90","","90","","1686.38","0.13","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C68 H76 N4 O16 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Wein, Lukas A.; Wurst, Klaus; Podewitz, Maren; Magauer, Thomas","Rapid Assembly of Tetrasubstituted Furans via Pummerer-Type Rearrangement.","Journal of the American Chemical Society","2021","143","2","1216","1223","10.1021/jacs.0c12194","","","0.71073","MoKα","","0.0306","0.0289","","","0.0834","0.0844","","","","","","1.175","","","","has coordinates","261453","2021-02-04","00:39:43",""
"4135580","16.072","0.0005","28.0305","0.001","8.296","0.002","90","","90","","90","","3737.4","0.9","135","2","135","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 I2 O6 Zn -","- C12 H24 I2 O6 Zn -","- C96 H192 I16 O48 Zn8 -","8","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0709","0.0484","","","0.1167","0.1241","","","","","","1.03","","","","has coordinates,has disorder","261454","2021-02-04","00:40:42",""
"4135581","12.996","0.003","10.864","0.002","8.0507","0.0016","90","","119.99","0.03","90","","984.5","0.5","213","2","213","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H24 I2 O6 Sr -","- C12 I2 O6 Sr -","- C24 I4 O12 Sr2 -","2","0.25","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0635","0.0266","","","0.0365","0.0393","","","","","","0.641","","","","has coordinates,has disorder","261455","2021-02-04","00:41:17",""
"4135582","16.67","0.003","10.642","0.002","25.798","0.008","90","","124.63","0.02","90","","3765.8","1.8","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 Cl6 Mn3 O12 -","- C24 H48 Cl6 Mn3 O12 -","- C96 H192 Cl24 Mn12 O48 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.1012","0.0556","","","0.1551","0.1683","","","","","","0.826","","","","has coordinates","261456","2021-02-04","00:41:55",""
"4135583","10.871","0.002","12.01","0.002","28.514","0.006","90","","94.37","0.03","90","","3712","1.2","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 I2 Mn O6 -","- C12 H24 I2 Mn O6 -","- C96 H192 I16 Mn8 O48 -","8","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0339","0.0242","","","0.0529","0.0554","","","","","","0.924","","","","has coordinates","261457","2021-02-04","00:42:38",""
"4135584","11.5448","0.0016","11.5448","0.0016","11.934","0.002","90","","90","","120","","1377.5","0.4","200","2","200","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H24 Br2 O6 Zn -","- C12 H24 Br2 O6 Zn0.9999 -","- C36 H72 Br6 O18 Zn2.9997 -","3","0.333333","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0574","0.0308","","","0.0468","0.0527","","","","","","1.01","","","","has coordinates","261458","2021-02-04","00:43:15",""
"4135585","12.962","0.003","10.883","0.002","8.0284","0.0016","90","","120.34","0.03","90","","977.4","0.5","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H24 Eu I2 O6 -","- C12 Eu I2 O6 -","- C24 Eu2 I4 O12 -","2","0.25","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.094","0.0424","","","0.0803","0.0948","","","","","","0.978","","","","has coordinates","261459","2021-02-04","00:43:48",""
"4135586","11.9296","0.0017","11.9296","0.0017","11.925","0.002","90","","90","","120","","1469.7","0.4","213","2","213","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H24 Br2 Eu O6 -","- C12 H24 Br2 Eu O6 -","- C36 H72 Br6 Eu3 O18 -","3","0.333333","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0393","0.0205","","","0.0323","0.0343","","","","","","0.791","","","","has coordinates","261460","2021-02-04","00:44:13",""
"4135587","17.102","0.003","11.252","0.002","22.748","0.005","90","","91.87","0.03","90","","4375.1","1.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 I6 Mn3 O12 -","- C24 H48 I6 Mn3 O12 -","- C96 H192 I24 Mn12 O48 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0685","0.0305","","","0.0622","0.0695","","","","","","0.761","","","","has coordinates","261461","2021-02-04","00:44:39",""
"4135588","11.489","0.002","13.075","0.003","16.437","0.003","90","","90","","90","","2469.1","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 I4 Mn2 O6 -","- C12 H24 I4 Mn2 O6 -","- C48 H96 I16 Mn8 O24 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0823","0.0306","","","0.0614","0.067","","","","","","0.686","","","","has coordinates","261462","2021-02-04","00:45:03",""
"4135589","6.0541","0.0001","14.1336","0.0003","21.0131","0.0003","90","","90","","90","","1798.01","0.05","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H112 O16 Si4 -","- C68 H112 O16 Si4 -","- C68 H112 O16 Si4 -","1","0.25","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0336","0.0298","","","0.0694","0.0711","","","","","","1.04","","","","has coordinates","261463","2021-02-04","00:45:43",""
"4135590","10.13664","0.00018","12.97562","0.00019","19.3014","0.0003","90","","90","","90","","2538.7","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 O10 Si -","- C23 H33 O10 Si -","- C92 H132 O40 Si4 -","4","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0285","0.0278","","","0.0745","0.0751","","","","","","1.037","","","","has coordinates","261464","2021-02-04","00:46:06",""
"4135591","9.1922","0.0001","11.2207","0.0001","11.7369","0.0001","90","","100.28","0.001","90","","1191.15","0.02","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H33 O8 Si -","- C23 H33 O8 Si -","- C46 H66 O16 Si2 -","2","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0304","0.0294","","","0.081","0.0818","","","","","","1.084","","","","has coordinates","261465","2021-02-04","00:46:30",""
"4135592","10.7097","0.0003","9.3455","0.0003","14.909","0.0004","90","","90.187","0.002","90","","1492.2","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H48 O11 Si -","- C28 H48 O11 Si -","- C56 H96 O22 Si2 -","2","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0493","0.0429","","","0.1067","0.1108","","","","","","1.062","","","","has coordinates","261466","2021-02-04","00:46:54",""
"4135593","11.95","0.0001","16.7458","0.0001","31.7086","0.0002","90","","90","","90","","6345.28","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O11 Si -","- C30 H50 O11 Si -","- C240 H400 O88 Si8 -","8","2","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0355","0.0329","","","0.0859","0.0878","","","","","","1.014","","","","has coordinates","261467","2021-02-04","00:47:26",""
"4135594","12.902","0.001","18.4951","0.0014","19.1223","0.0013","90","","90","","90","","4563","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 F6 Fe N10 P -","- C45 H51 F6 Fe N10 P -","- C180 H204 F24 Fe4 N40 P4 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.0614","0.0429","","","0.0818","0.088","","","","","","1.037","","","","has coordinates,has disorder","261468","2021-02-04","00:49:21",""
"4135595","46.429","0.002","16.3087","0.0007","23.2775","0.0013","90","","93.67","0.002","90","","17589.5","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44.56 H50.56 F6 Fe N8 P -","- C44.559 H50.559 F6 Fe N8 P -","- C712.944 H808.944 F96 Fe16 N128 P16 -","16","2","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.1082","0.0652","","","0.1402","0.1572","","","","","","1.056","","","","has coordinates,has disorder","261468","2021-02-04","00:49:22",""
"4135596","17.0881","0.0011","16.569","0.0011","15.2548","0.001","90","","94.725","0.003","90","","4304.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 F12 Fe N8 P2 -","- C39 H45 F12 Fe N8 P2 -","- C156 H180 F48 Fe4 N32 P8 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.0378","0.0304","","","0.076","0.0808","","","","","","1.056","","","","has coordinates","261468","2021-02-04","00:49:22",""
"4135597","17.57","0.002","18.196","0.001","47.439","0.009","90","","98.598","0.01","90","","14996","3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C167 H184.5 B4 F4 Fe2 N19.5 O -","- C167 H184.5 B4 F4 Fe2 N19.5 O -","- C668 H738 B16 F16 Fe8 N78 O4 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.1504","0.0735","","","0.1683","0.2024","","","","","","1.014","","","","has coordinates,has disorder","261468","2021-02-04","00:49:22",""
"4135598","8.035","0.003","19.954","0.007","20.955","0.008","107.477","0.008","90.378","0.006","98.013","0.008","3169","2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 O4 Si -","- C40 H36 O4 Si -","- C160 H144 O16 Si4 -","4","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.2454","0.0877","","","0.1836","0.2418","","","","","","0.954","","","","has coordinates","261469","2021-02-04","00:50:39",""
"4135599","10.5521","0.0008","24.7884","0.0016","16.8422","0.0013","90","","107.729","0.0015","90","","4196.2","0.5","113","2","113","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C27 H26 Si -","- C27 H26 Si -","- C216 H208 Si8 -","8","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.05","0.0369","","","0.0974","0.1025","","","","","","1.044","","","","has coordinates","261470","2021-02-04","00:51:17",""
"4135600","10.3171","0.0018","12.986","0.002","17.529","0.003","75.678","0.007","85.033","0.009","86.4309","0.001","2264.9","0.7","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 Si -","- C30 H26 Si -","- C120 H104 Si4 -","4","2","","Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo","Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.","Journal of the American Chemical Society","2021","143","3","1641","1650","10.1021/jacs.0c12453","","","0.71075","MoKα","","0.0643","0.0472","","","0.1249","0.1311","","","","","","0.972","","","","has coordinates","261472","2021-02-04","00:51:42",""
"4135601","9.5532","0.0003","6.3625","0.0002","16.3333","0.0005","90","","90","","90","","992.77","0.05","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-nitro-semicarbazid","4-nitro-semicarbazid","","- C H6 N4 O4 -","- C H6 N4 O4 -","- C8 H48 N32 O32 -","8","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0333","0.0281","","","0.0707","0.0752","","","","","","1.058","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135602","11.9484","0.0009","3.6295","0.0002","14.0899","0.001","90","","105.13","0.008","90","","589.85","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sodium nitrocarbamoylazide monohydrate","sodium nitrocarbamoylazide monohydrate","","- C H2 N5 Na O4 -","- C H2 N5 Na O4 -","- C4 H8 N20 Na4 O16 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0392","0.0297","","","0.0685","0.0761","","","","","","1.081","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135603","6.8957","0.0004","11.5328","0.0005","7.0382","0.0003","90","","97.155","0.005","90","","555.37","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","potassium nitro-carbamoyl-azide","potassium nitro-carbamoyl-azide","","- C K N5 O3 -","- C K N5 O3 -","- C4 K4 N20 O12 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71069","MoKα","","0.0312","0.0255","","","0.0593","0.0623","","","","","","1.064","","","","has coordinates","261473","2021-02-04","00:53:16",""
"4135604","7.4975","0.0009","15.4884","0.0016","6.6145","0.0008","90","","94.328","0.009","90","","765.91","0.15","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium nitro-carbonyl-azide","guanidinium nitro-carbonyl-azide","","- C2 H6 N8 O3 -","- C2 H6 N8 O3 -","- C8 H24 N32 O12 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0557","0.0379","","","0.0839","0.0923","","","","","","1.042","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135605","6.6353","0.0003","6.8575","0.0004","7.0924","0.0005","67.848","0.006","72.382","0.005","80.022","0.005","284.24","0.03","112","2","112","2","","","","","","","","4","P -1","-P 1","2","ammonium nitraminocarbonyl azide","ammonium nitraminocarbonyl azide","","- C H4 N6 O3 -","- C H4 N6 O3 -","- C2 H8 N12 O6 -","2","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0373","0.0299","","","0.0771","0.0808","","","","","","1.078","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135606","14.498","0.003","44.396","0.012","3.6494","0.0009","90","","90","","90","","2348.9","1","105","2","105","2","","","","","","","","4","F d d 2","F 2 -2d","43","hydroxylammonium nitrocarbamoylazide","hydroxylammonium nitraminocarbonylazide","","- C H4 N6 O4 -","- C H4 N6 O4 -","- C16 H64 N96 O64 -","16","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0671","0.0549","","","0.1177","0.1274","","","","","","0.977","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135607","6.1997","0.0009","10.2689","0.0013","8.2547","0.0011","90","","109.477","0.005","90","","495.45","0.12","107","2","107","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nitramino-carbonyl-azide","azido-nitramino-carbonyl","","- C H N5 O3 -","- C H N5 O3 -","- C4 H4 N20 O12 -","4","1","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","","0.71073","MoKα","","0.0341","0.029","","","0.0776","0.0822","","","","","","1.117","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135608","7.6411","0.001","7.7969","0.0011","8.3332","0.0013","99.142","0.012","90.045","0.012","103.622","0.012","475.99","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","methyl nitrocarbamate","methyl nitrocarbamate","","- C2 H4 N2 O4 -","- C2 H4 N2 O4 -","- C8 H16 N8 O16 -","4","2","","Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg","Nitrocarbamoyl Azide O<sub>2</sub>NN(H)C(O)N<sub>3</sub>: A Stable but Highly Energetic Member of the Carbonyl Azide Family.","Journal of the American Chemical Society","2021","143","3","1323","1327","10.1021/jacs.0c12507","","x-ray","0.71073","MoKα","","0.0667","0.0489","","","0.1332","0.1484","","","","","","1.045","","","","has coordinates","261473","2021-02-04","00:53:17",""
"4135609","24.689","0.002","9.342","0.002","27.653","0.003","90","","98.07","0.02","90","","6314.9","1.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H82 Bi F9 Li2 N2 O11 S3 -","- C51 H82 Bi F9 Li2 N2 O11 S3 -","- C204 H328 Bi4 F36 Li8 N8 O44 S12 -","4","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W.","Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones.","Journal of the American Chemical Society","2021","143","3","1301","1306","10.1021/jacs.0c12084","","","0.71073","MoKα","","0.037","0.0253","","","0.048","0.0512","","","","","","1.015","","","","has coordinates,has disorder","261474","2021-02-04","00:54:16",""
"4135610","9.189","0.002","15.33","0.002","32.284","0.004","90","","92.02","0.02","90","","4544.9","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H66 F3 N2 O3 S Sb -","- C44.5 H66 F3 N2 O3 S Sb -","- C178 H264 F12 N8 O12 S4 Sb4 -","4","1","","Siddiqui, Mujahuddin M.; Sarkar, Samir Kumar; Nazish, Mohd; Morganti, Massimiliano; Köhler, Christian; Cai, Jiali; Zhao, Lili; Herbst-Irmer, Regine; Stalke, Dietmar; Frenking, Gernot; Roesky, Herbert W.","Donor-Stabilized Antimony(I) and Bismuth(I) Ions: Heavier Valence Isoelectronic Analogues of Carbones.","Journal of the American Chemical Society","2021","143","3","1301","1306","10.1021/jacs.0c12084","","","0.71073","MoKα","","0.0373","0.0274","","","0.0598","0.0646","","","","","","1.021","","","","has coordinates,has disorder","261475","2021-02-04","00:54:44",""
"4135611","29.89","0.004","18.583","0.004","18.248","0.003","90","","94.665","0.004","90","","10102","3","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 Cl3 Cr N2 O -","- C36 H56 Cl3 Cr N2 O -","- C288 H448 Cl24 Cr8 N16 O8 -","8","1","","Zhao, Lixing; Hu, Chenyang; Cong, Xuefeng; Deng, Gongda; Liu, Liu Leo; Luo, Meiming; Zeng, Xiaoming","Cyclic (Alkyl)(amino)carbene Ligand-Promoted Nitro Deoxygenative Hydroboration with Chromium Catalysis: Scope, Mechanism, and Applications.","Journal of the American Chemical Society","2021","143","3","1618","1629","10.1021/jacs.0c12318","","","0.71073","MoKα","","0.0601","0.0443","","","0.1281","0.1385","","","","","","1.043","","","","has coordinates","261476","2021-02-04","00:55:10",""
"4135612","10.162","0.006","10.528","0.006","10.914","0.005","64.682","0.009","89.99","0.02","89.904","0.016","1055.5","1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 Ir2 N4 O14 S2 -","- C38 H52 Ir2 N4 O14 S2 -","- C38 H52 Ir2 N4 O14 S2 -","1","0.5","","Kanega, Ryoichi; Onishi, Naoya; Tanaka, Shinji; Kishimoto, Haruo; Himeda, Yuichiro","Catalytic Hydrogenation of CO<sub>2</sub> to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction.","Journal of the American Chemical Society","2021","143","3","1570","1576","10.1021/jacs.0c11927","","","0.71075","MoKα","","0.0379","0.0362","","","0.0828","0.0834","","","","","","1.045","","","","has coordinates","261477","2021-02-04","00:55:43",""
"4135613","9.835","0.003","16.634","0.005","23.5","0.008","90","","90","","90","","3844","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H40 O20 P3 Y -","- C24 H18 O11.5 P3 Y -","- C96 H72 O46 P12 Y4 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.6889","synchrotron","","0.2143","0.1168","","","0.2742","0.3244","","","","","","0.985","","","","has coordinates","261478","2021-02-04","00:56:30",""
"4135614","16.1261","0.0008","24.9525","0.0013","7.565","0.0004","90","","104.358","0.003","90","","2949","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H33 O12 P3 -","- C27 H33 O12 P3 -","- C108 H132 O48 P12 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.71073","MoKα","","0.0509","0.0391","","","0.0796","0.085","","","","","","1.021","","","","has coordinates","261479","2021-02-04","00:56:54",""
"4135615","11.2203","0.001","14.5145","0.0013","23.22","0.002","90","","96.497","0.004","90","","3757.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 O10 P3 -","- C36 H45 O10 P3 -","- C144 H180 O40 P12 -","4","1","","Vilela, Sérgio M F; Navarro, Jorge A. R.; Barbosa, Paula; Mendes, Ricardo F.; Pérez-Sánchez, Germán; Nowell, Harriott; Ananias, Duarte; Figueiredo, Filipe; Gomes, José R B; Tomé, João P C; Paz, Filipe A Almeida","Multifunctionality in an Ion-Exchanged Porous Metal-Organic Framework.","Journal of the American Chemical Society","2021","143","3","1365","1376","10.1021/jacs.0c10421","","","0.71073","MoKα","","0.1015","0.0797","","","0.2251","0.248","","","","","","1.028","","","","has coordinates","261480","2021-02-04","00:57:22",""
"4135616","12.182","","17.093","","21.861","","68.21","","89.91","","73.2","","4017.69","","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C176 H172 O48 -","- C176 H170 O52 -","- C176 H170 O52 -","1","0.5","","Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng","Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents.","Journal of the American Chemical Society","2021","143","3","1553","1561","10.1021/jacs.0c11833","","","0.71073","MoKα","","0.0997","0.0731","","","0.2179","0.24","","","","","","1.056","","","","has coordinates","261481","2021-02-04","00:58:16",""
"4135617","12.0109","0.0003","16.9861","0.0004","21.9656","0.0004","83.59","0.002","75.478","0.002","70.196","0.002","4079.88","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C91 H0.5 O29 -","- C90 H87 O30 -","- C180 H174 O60 -","2","1","","Mi, Yan; Ma, Jingyu; Liang, Wenting; Xiao, Chao; Wu, Wanhua; Zhou, Dayang; Yao, Jiabin; Sun, Wenjia; Sun, Junliang; Gao, Guowei; Chen, Xiaochuan; Chruma, Jason J.; Yang, Cheng","Guest-Binding-Induced Interhetero Hosts Charge Transfer Crystallization: Selective Coloration of Commonly Used Organic Solvents.","Journal of the American Chemical Society","2021","143","3","1553","1561","10.1021/jacs.0c11833","","x-ray","1.54184","CuKα","","0.1271","0.116","","","0.3463","0.3547","","","","","","1.077","","","","has coordinates","261482","2021-02-04","00:58:45",""
"4135618","6.8633","0.0001","11.6049","0.0002","24.2941","0.0004","103.462","0.001","90.236","0.001","104.924","0.002","1814.1","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 N2 O6 S2 Si -","- C34 H36 N2 O6 S2 Si -","- C68 H72 N4 O12 S4 Si2 -","2","1","","Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng","Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors.","Journal of the American Chemical Society","2021","143","3","1334","1340","10.1021/jacs.0c13012","","x-ray","1.54184","CuKα","","0.0365","0.0345","","","0.0883","0.0895","","","","","","1.05","","","","has coordinates","261483","2021-02-04","00:59:10",""
"4135619","12.3097","0.0001","14.4416","0.0001","13.6087","0.0001","90","","101.087","0.001","90","","2374.09","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N O4 S Si -","- C25 H29 N O4 S Si -","- C100 H116 N4 O16 S4 Si4 -","4","1","","Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng","Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors.","Journal of the American Chemical Society","2021","143","3","1334","1340","10.1021/jacs.0c13012","","x-ray","1.54184","CuKα","","0.0312","0.0309","","","0.0786","0.0788","","","","","","1.047","","","","has coordinates","261484","2021-02-04","00:59:33",""
"4135620","10.7433","0.0001","45.1666","0.0004","21.5283","0.0002","90","","101.322","0.001","90","","10243.1","0.17","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H102 N6 O15 S3 -","- C126 H102 N6 O15 S3 -","- C504 H408 N24 O60 S12 -","4","1","","Zhu, Guohao; Gao, Wen-Chao; Jiang, Xuefeng","Rh(I)-Catalyzed Carbene Migration/Carbonylation/Cyclization: Straightforward Construction of Fully Substituted Aryne Precursors.","Journal of the American Chemical Society","2021","143","3","1334","1340","10.1021/jacs.0c13012","","x-ray","1.54184","CuKα","","0.0799","0.0765","","","0.177","0.1787","","","","","","1.183","","","","has coordinates","261485","2021-02-04","01:00:07",""
"4135621","20.0963","0.0018","14.6995","0.0014","8.0035","0.0007","90","","94.679","0.005","90","","2356.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 N4 O2 S -","- C29 H22 N4 O2 S -","- C116 H88 N16 O8 S4 -","4","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0537","0.038","","","0.0938","0.1006","","","","","","1.034","","","","has coordinates","261486","2021-02-04","01:00:31",""
"4135622","8.071","0.002","9.968","0.003","10.206","0.003","101.062","0.006","97.362","0.006","100.442","0.007","781.1","0.4","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N3 O2 -","- C20 H15 N3 O2 -","- C40 H30 N6 O4 -","2","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0611","0.0425","","","0.1043","0.1111","","","","","","1.063","","","","has coordinates","261487","2021-02-04","01:00:53",""
"4135623","31.4363","0.0009","8.9581","0.0002","7.7402","0.0002","90","","90","","90","","2179.71","0.1","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H18 N4 O2 S -","- C27 H18 N4 O2 S -","- C108 H72 N16 O8 S4 -","4","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0389","0.0347","","","0.0744","0.0761","","","","","","1.044","","","","has coordinates","261488","2021-02-04","01:01:16",""
"4135624","8.438","0.0007","16.7089","0.0013","25.36","0.002","90","","90","","90","","3575.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C176 H152 N24 O16 -","8","1","","Sedgwick, Adam C.; Yan, Kai-Cheng; Mangel, Daniel N.; Shang, Ying; Steinbrueck, Axel; Han, Hai-Hao; Brewster, 2nd, James T; Hu, Xi-Le; Snelson, Dylan W.; Lynch, Vincent M.; Tian, He; He, Xiao-Peng; Sessler, Jonathan L.","Deferasirox (ExJade): An FDA-Approved AIEgen Platform with Unique Photophysical Properties.","Journal of the American Chemical Society","2021","143","3","1278","1283","10.1021/jacs.0c11641","","","0.71073","MoKα","","0.0492","0.0382","","","0.0856","0.0899","","","","","","1.05","","","","has coordinates","261489","2021-02-04","01:01:40",""
"4135625","15.135","0.005","15.135","0.005","12.033","0.004","90","","90","","90","","2756.4","1.6","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(III)_ND3loaded","- C8 H4 D1.46 N0.49 O5 V -","- C8 H3.9998 D1.463 N0.488 O5 V -","- C64 H31.9984 D11.704 N3.904 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","0.569812","","","","","","","","7.27032","","","","","","","has coordinates","262445","2021-03-04","02:53:42",""
"4135626","15.0246","0.0009","15.0246","0.0009","11.9519","0.0007","90","","90","","90","","2698","0.3","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(IV)_empty","- C8 H3 O5 V -","- C8 H3 O5 V -","- C64 H24 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","0.480466","","","","","","","","6.52286","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135627","15.1215","0.0016","15.1215","0.0016","12.0683","0.0013","90","","90","","90","","2759.5","0.5","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(III)_empty","- C8 H4 O5 V -","- C8 H4 O5 V -","- C64 H32 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","0.801436","","","","","","","","6.18068","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135628","15.5056","0.0002","15.5056","0.0002","12.339","0.0002","90","","90","","90","","2966.59","0.07","7","","7","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","MFM-300-In_empty","- C8 H4 In O5 -","- C8 H4 In O5 -","- C64 H32 In8 O40 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","1.26279","","","","","","","","3.24874","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135629","15.102","0.002","15.102","0.002","11.9998","0.0015","90","","90","","90","","2736.8","0.6","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-Fe_ND3loaded","- C8 H3 D5.04 Fe N2.23 O5 -","- C8 H3 D5.044 Fe N2.232 O5 -","- C64 H24 D40.352 Fe8 N17.856 O40 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","1.08245","","","","","","","","2.83652","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135630","15.4911","0.0012","15.4911","0.0012","12.3275","0.0009","90","","90","","90","","2958.3","0.4","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-In_ND3loaded","- C8 H3.3 D0.88 In N0.33 O5 -","- C8 H3.3 D0.882 In N0.334 O5 -","- C64 H26.4 D7.056 In8 N2.672 O40 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","4.12994","","","","","","","","2.30191","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135631","15.09","0.03","15.09","0.03","12.01","0.03","90","","90","","90","","2735","10","7","","7","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","MFM-300-V(IV)_ND3loaded","- C8 H3 D6.65 N2.22 O5 V -","- C8 H3 D6.648 N2.216 O5 V -","- C64 H24 D53.184 N17.728 O40 V8 -","8","0.5","","Han, Xue; Lu, Wanpeng; Chen, Yinlin; da Silva, Ivan; Li, Jiangnan; Lin, Longfei; Li, Weiyao; Sheveleva, Alena M.; Godfrey, Harry G. W.; Lu, Zhenzhong; Tuna, Floriana; McInnes, Eric J. L.; Cheng, Yongqiang; Daemen, Luke L.; McPherson, Laura J McCormick; Teat, Simon J.; Frogley, Mark D.; Rudić, Svemir; Manuel, Pascal; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin","High Ammonia Adsorption in MFM-300 Materials: Dynamics and Charge Transfer in Host-Guest Binding.","Journal of the American Chemical Society","2021","143","8","3153","3161","10.1021/jacs.0c11930","powder diffraction","","","neutron","","1.17494","","","","","","","","4.77876","","","","","","","has coordinates","262445","2021-03-04","02:53:43",""
"4135632","10.9436","0.0011","8.6154","0.001","10.0156","0.0009","90","","90","","90","","944.31","0.17","120","3","120","3","","","","","","","","4","P n n a","-P 2a 2bc","52","","11","","- C6 H3 Cu N4 -","- C6 H3 Cu N4 -","- C24 H12 Cu4 N16 -","4","0.5","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.1232","0.0836","","","0.2217","0.2574","","","","","","1.025","","","","has coordinates,has disorder","266969","2021-07-04","01:44:13",""
"4135633","10.9748","0.0003","8.5812","0.0003","10.0596","0.0004","90","","90","","90","","947.38","0.06","120","3","120","3","","","","","","","","5","P n n a","-P 2a 2bc","52","","br-yx","","- C2.75 H0.5 Br0.5 Cu0.5 N2 -","- C2.75 H0.5 Br0.5 Cu0.5 N2 -","- C22 H4 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0226","0.0205","","","0.0538","0.0547","","","","","","1.079","","","","has coordinates","266969","2021-07-04","01:44:20",""
"4135634","10.9745","0.0013","8.6056","0.0011","10.0876","0.0014","90","","90","","90","","952.7","0.2","120","","120","","","","","","","","","5","P n n a","-P 2a 2bc","52","","Br-C2H6","","- C3 H1.5 Br0.5 Cu0.5 N2 -","- C3 H1.5 Br0.5 Cu0.5 N2 -","- C24 H12 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0687","0.0589","","","0.1377","0.144","","","","","","1.056","","","","has coordinates","266969","2021-07-04","01:44:20",""
"4135635","11.0306","0.0013","8.6572","0.0014","10.0114","0.0019","90","","90","","90","","956","0.3","120","3","120","3","","","","","","","","4","P n n a","-P 2a 2bc","52","","Br","","- C2.5 Br0.5 Cu0.5 N2 -","- C2.5 Br0.5 Cu0.5 N2 -","- C20 Br4 Cu4 N16 -","8","1","","Geng, Shubo; Lin, En; Li, Xia; Liu, Wansheng; Wang, Ting; Wang, Zhifang; Sensharma, Debobroto; Darwish, Shaza; Andaloussi, Yassin H.; Pham, Tony; Cheng, Peng; Zaworotko, Michael J.; Chen, Yao; Zhang, Zhenjie","Scalable Room-Temperature Synthesis of Highly Robust Ethane-Selective Metal-Organic Frameworks for Efficient Ethylene Purification.","Journal of the American Chemical Society","2021","143","23","8654","8660","10.1021/jacs.1c02108","","x-ray","0.71073","MoKα","","0.0371","0.0344","","","0.08","0.0817","","","","","","1.098","","","","has coordinates","266969","2021-07-04","01:44:20",""
"4135636","18.6097","0.0005","19.5333","0.0005","16.7214","0.0004","90","","96.1449","0.0015","90","","6043.5","0.3","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C103 H20 O2 S6 -","- C102.66 H20 O2 S6 -","- C410.64 H80 O8 S24 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1385","0.0977","","","0.2156","0.2436","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","272065","2022-01-16","14:30:41",""
"4135637","30.4743","0.0011","10.2536","0.0004","27.1459","0.001","90","","104.991","0.0019","90","","8193.6","0.5","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C110 H60 Cl10 O4 -","- C110 H60 Cl10 O4 -","- C440 H240 Cl40 O16 -","4","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.0926","0.0874","","","0.2254","0.231","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","272066","2022-01-16","14:30:57",""
"4135638","13.7614","0.0005","14.9731","0.0006","17.3086","0.0007","78.771","0.002","78.615","0.002","75.028","0.002","3338.5","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C84 H44 Cl12 O4 -","- C84 H44 Cl12 O4 -","- C168 H88 Cl24 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1151","0.0947","","","0.2925","0.3206","","","","","","1.255","","","","has coordinates,has disorder","272067","2022-01-16","14:31:09",""
"4135639","19.5697","0.0009","17.9147","0.0009","38.807","0.002","90","","104.474","0.002","90","","13173.4","1.1","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C148 H80 Cl12 O4 -","- C148 H80 Cl12 O4 -","- C592 H320 Cl48 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.34139","GaKα","","0.1131","0.0892","","","0.2359","0.2532","","","","","","1.022","","","","has coordinates,has disorder","272068","2022-01-16","14:31:24",""
"4135640","18.667","0.002","19.234","0.002","16.2905","0.0019","90","","108.354","0.005","90","","5551.4","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C121 H65 Cl27 O4 -","- C121 H65 Cl26.998 O4 -","- C242 H130 Cl53.996 O8 -","2","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1504","0.0884","","","0.2433","0.2903","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","272069","2022-01-16","14:31:49",""
"4135641","43.4297","0.0017","13.7993","0.0006","20.6059","0.0009","90","","102.772","0.002","90","","12043.6","0.9","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C150 H84 Cl18 O4 -","- C150 H84 Cl18 O4 -","- C600 H336 Cl72 O16 -","4","0.5","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.0782","0.0697","","","0.1852","0.1934","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","272070","2022-01-16","14:32:17",""
"4135642","10.4352","0.0014","17.672","0.002","19.298","0.003","68.679","0.008","86.263","0.009","82.937","0.008","3289.2","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H64 O4 -","- C76 H54 O4 -","- C152 H108 O8 -","2","1","","Petrov, Nino G.; Chartier, Patrick; Maris, Thierry; Wuest, James D.","Designing Tetraoxa[8]circulenes To Serve as Hosts and Sensors","Journal of the American Chemical Society","2021","144","1","556","572","10.1021/jacs.1c11728","","x-ray","1.54178","CuKα","","0.1875","0.0932","","","0.2175","0.242","","","","","","0.965","","","","has coordinates,has disorder","272071","2022-01-16","14:32:34",""
"4350792","28.94","0.005","16.958","0.003","9.8864","0.0017","90","","94.118","0.002","90","","4839.4","1.5","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H40.5 Al0.75 N6.75 -","- C18.75 Al0.75 N7.25 -","- C150 Al6 N58 -","8","1","","Samii, Rouzbeh; Zanders, David; Buttera, Sydney C.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik; O'Brien, Nathan J","Synthesis and Thermal Study of Hexacoordinated Aluminum(III) Triazenides for Use in Atomic Layer Deposition.","Inorganic chemistry","2021","","","","","10.1021/acs.inorgchem.0c03496","","","0.71073","MoKα","","0.1464","0.1238","","","0.2356","0.2441","","","","","","0.813","","","","has coordinates","263029","2021-03-13","23:38:14",""
"4350793","26.64","0.02","15.816","0.015","9.184","0.009","90","","95.069","0.014","90","","3854","6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H0 Al N9 -","- C14 Al0.75 N10 -","- C112 Al6 N80 -","8","1","","Samii, Rouzbeh; Zanders, David; Buttera, Sydney C.; Kessler, Vadim; Ojamäe, Lars; Pedersen, Henrik; O'Brien, Nathan J","Synthesis and Thermal Study of Hexacoordinated Aluminum(III) Triazenides for Use in Atomic Layer Deposition.","Inorganic chemistry","2021","","","","","10.1021/acs.inorgchem.0c03496","","","0.71073","MoKα","","0.3659","0.2834","","","0.5815","0.6071","","","","","","1.005","","","","has coordinates","263030","2021-03-13","23:38:49",""
"4350794","19.5539","0.0004","12.7308","0.0002","28.3182","0.0007","90","","108.978","0.003","90","","6666.3","0.3","93","2","93","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H51 Cl2 N2 P2 Re -","- C30.5 H51 Cl2 N2 P2 Re -","- C244 H408 Cl16 N16 P16 Re8 -","8","1","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","1.54184","CuKα","","0.021","0.0208","","","0.0541","0.0542","","","","","","1.101","","","","has coordinates,has disorder","264806","2021-05-03","22:04:43",""
"4350795","17.3984","0.0002","17.3984","0.0002","16.7004","0.0003","90","","90","","90","","5055.28","0.12","93","2","93","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H84 Cl4 N4 P4 Re2 -","- C44 H84 Cl4 N4 P4 Re2 -","- C176 H336 Cl16 N16 P16 Re8 -","4","0.25","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","1.54184","CuKα","","0.0194","0.0186","","","0.0463","0.0468","","","","","","1.042","","","","has coordinates","264806","2021-05-03","22:04:44",""
"4350796","11.8668","0.0003","14.5601","0.0004","14.8307","0.0005","90","","90","","90","","2562.47","0.13","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N2 P2 Re -","- C22 H42 Cl N2 P2 Re -","- C88 H168 Cl4 N8 P8 Re4 -","4","1","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","0.71073","MoKα","","0.0206","0.0198","","","0.048","0.0485","","","","","","1.111","","","","has coordinates,has disorder","264806","2021-05-03","22:04:44",""
"4350797","12.10616","0.00002","18.56652","0.00003","8.521538","0.000015","90","","90","","90","","1915.38","0.006","293","2","293","2","","","","","","","","3","C m m a","-C 2a 2","67","beta-Zn7Sb2O12","","","- O12 Sb2 Zn7 -","- O12 Sb2 Zn7 -","- O96 Sb16 Zn56 -","8","0.5","","Betke, Ulf","Missing Piece in the Crystal Chemistry of Zn-Sb Secondary Phases in ZnO-Sb2O3-Bi2O3 Varistor Ceramics: Orthorhombic beta-Zn7Sb2O12. An Experimental and Theoretical Study of the Crystal Structure and Its Thermal and Vibrational Spectroscopic Characterization","Inorganic Chemistry","2021","60","","8640","","","powder diffraction","","1.392","CuKβ","","1.292","","","","","","","","1.244","","","","","","","has coordinates","267694","2021-07-22","13:32:10",""
"4350818","10.82345","0.00003","10.82345","0.00003","10.82345","0.00003","90","","90","","90","","1267.94","0.006","293","2","293","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","","- Cu22 S32 Sn10 -","- Cu21.812 S32 Sn10.188 -","- Cu21.812 S32 Sn10.188 -","1","0.0416667","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Candolfi, C.; Prestipino, C.; Menut, D.; Malaman, B.; Juraszek, J.; Suekuni, K.; Guilmeau, E.","Local-disorder-induced low thermal conductivity in degenerate semiconductor Cu22Sn10S32","Inorganic Chemistry","2021","60","21","16273","16285","10.1021/acs.inorgchem.1c02105","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","81.8604","","","","","","","","has coordinates","280697","2023-01-31","09:27:53",""
"4518400","18.9727","0.0006","8.3992","0.0002","9.0365","0.0002","90","","96.85","0.001","90","","1429.74","0.06","189","2","189.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 I4 N2 O4 Pb -","- C16 H36 I4 N2 O4 Pb -","- C32 H72 I8 N4 O8 Pb2 -","2","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0425","0.0315","","","0.0768","0.0835","","","","","","1.055","","","","has coordinates","261495","2021-02-04","03:29:18",""
"4518401","8.9064","0.0004","9.2796","0.0005","24.348","0.0008","90","","90","","90","","2012.31","0.16","302","2","302","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0612","0.0365","","","0.0708","0.0804","","","","","","1.097","","","","has coordinates","261495","2021-02-04","03:29:19",""
"4518402","22.622","0.002","8.3121","0.0007","8.9769","0.0007","90","","93.278","0.003","90","","1685.2","0.2","283","2","283","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 I4 N2 O4 Pb -","- C20 H44 I4 N2 O4 Pb -","- C40 H88 I8 N4 O8 Pb2 -","2","0.5","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0348","0.0273","","","0.0692","0.0736","","","","","","1.086","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"4518403","8.8547","0.0003","20.5457","0.0009","7.979","0.0003","90","","90","","90","","1451.59","0.1","250","2","250","","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C12 H28 I6 N2 O4 Pb2 -","- C12 H28 I6 N2 O4 Pb2 -","- C24 H56 I12 N4 O8 Pb4 -","2","0.25","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","0.71073","MoKα","","0.0493","0.0397","","","0.0989","0.1043","","","","","","1.059","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"4518404","4.5319","0.0003","4.5319","0.0003","29.629","0.002","90","","90","","120","","527","0.06","193","2","193","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C2 H2 I2 N O2 Pb -","- C1.9998 H1.9998 I2 N0.9999 O1.9998 Pb -","- C5.9994 H5.9994 I6 N2.9997 O5.9994 Pb3 -","3","0.333333","","Xie, Guanying; Wang, Lei; Li, Peizhou; Song, Shuang; Yao, Changlin; Wang, Shanpeng; Liu, Yang; Wang, Zhen; Wang, Xinyuan; Tao, Xutang","Low-Dimensional Hybrid Lead Iodide Perovskites Single Crystals via Bifunctional Amino Acid Cross-Linkage: Structural Diversity and Properties Controllability.","ACS applied materials & interfaces","2021","13","2","3325","3335","10.1021/acsami.0c16402","","","1.34139","GaKα","","0.0945","0.0876","","","0.2468","0.2754","","","","","","1.141","","","","has coordinates,has disorder","261495","2021-02-04","03:29:19",""
"4518405","22.9846","0.0009","22.9846","0.0009","23.4908","0.0012","90","","90","","90","","12410","0.9","158","2","158","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C18 H10 N2 Ni O4 -","- C18 H10 N2 Ni O4 -","- C288 H160 N32 Ni16 O64 -","16","1","","Li, Yong-Zhi; Wang, Gang-Ding; Ma, Li-Na; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Multiple Functions of Gas Separation and Vapor Adsorption in a New MOF with Open Tubular Channels.","ACS applied materials & interfaces","2021","13","3","4102","4109","10.1021/acsami.0c21554","","","0.71073","MoKα","","0.0892","0.0653","","","0.1718","0.1952","","","","","","1.036","","","","has coordinates","261496","2021-02-04","03:29:27",""
"4518406","6.7743","0.0008","23.418","0.006","8.802","0.002","90","","101.248","0.015","90","","1369.5","0.5","110.82","0.11","110.82","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang","Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization","ACS Catalysis","2021","","","1570","1577","10.1021/acscatal.0c05156","","","1.3415","GaKα","","0.0465","0.0414","","","0.1297","0.1352","","","","","","1.099","","","","has coordinates","261055","2021-01-19","22:30:51",""
"4518407","7.1212","0.00006","13.75566","0.00014","18.96034","0.00018","90","","90","","90","","1857.29","0.03","99.9","0.4","99.9","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 B0 F0 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang","Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization","ACS Catalysis","2021","","","1570","1577","10.1021/acscatal.0c05156","","","1.3415","GaKα","","0.0287","0.0282","","","0.0735","0.0737","","","","","","1.046","","","","has coordinates","261056","2021-01-19","22:31:16",""
"4518408","17.095","0.0003","14.339","0.0002","38.364","0.0006","90","","106.233","0.001","90","","9029.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H312 N16 O19 Zn8 -","- C164 H312 N16 O19 Zn8 -","- C328 H624 N32 O38 Zn16 -","2","0.5","","Krupiński, Piotr; Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Danowski, Wojciech; Justyniak, Iwona; Lewiński, Janusz","From Uncommon Ethylzinc Complexes Supported by Ureate Ligands to Water-Soluble ZnO Nanocrystals: A Mechanochemical Approach","ACS Sustainable Chemistry & Engineering","2021","9","4","1540","1549","10.1021/acssuschemeng.0c06081","","","0.71073","MoKα","","0.0754","0.0579","","","0.1435","0.1523","","","","","","1.033","","","","has coordinates,has disorder","261497","2021-02-04","03:29:47",""
"4518409","11.5721","0.0001","11.5721","0.0001","12.3576","0.0003","90","","90","","120","","1433.14","0.04","100","1","100","0.1","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H36 Co I2 O6 S6 -","- C12 H36 Co I2 O6 S6 -","- C24 H72 Co2 I4 O12 S12 -","2","0.333333","","Ustinova, Marina I.; Mikheeva, Maria M.; Shilov, Gennadii V.; Dremova, Nadezhda N.; Frolova, Lyubov; Stevenson, Keith J.; Aldoshin, Sergey M.; Troshin, Pavel A.","Partial Substitution of Pb2+ in CsPbI3 as an Efficient Strategy To Design Fairly Stable All-Inorganic Perovskite Formulations","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c18061","","","0.7107","MoKα","","0.0423","0.0324","","","0.0835","0.0932","","","","","","0.929","","","","has coordinates,has disorder","261113","2021-01-21","22:11:35",""
"4518410","24.888","0.0008","22.1779","0.0006","8.1145","0.0002","90","","96.663","0.003","90","","4448.7","0.2","100","1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Ca I6 N4 O6 Pb2 S2 -","- C20 H48 Ca I6 N4 O6 Pb2 S2 -","- C80 H192 Ca4 I24 N16 O24 Pb8 S8 -","4","1","","Ustinova, Marina I.; Mikheeva, Maria M.; Shilov, Gennadii V.; Dremova, Nadezhda N.; Frolova, Lyubov; Stevenson, Keith J.; Aldoshin, Sergey M.; Troshin, Pavel A.","Partial Substitution of Pb2+ in CsPbI3 as an Efficient Strategy To Design Fairly Stable All-Inorganic Perovskite Formulations","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c18061","","","0.7107","MoKα","","0.0699","0.0499","","","0.0949","0.1021","","","","","","1.121","","","","has coordinates,has disorder","261114","2021-01-21","22:12:07",""
"4518411","9.172","0.003","11.675","0.003","12.09","0.004","91.099","0.005","93.667","0.005","105.21","0.005","1245.9","0.7","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N2 O5 S2 -","- C27 H30 N2 O5 S2 -","- C54 H60 N4 O10 S4 -","2","1","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","","0.71073","MoKα","","0.1021","0.0656","","","0.165","0.1801","","","","","","0.969","","","","has coordinates","261115","2021-01-21","22:22:14",""
"4518412","12.9016","0.0004","9.0322","0.0002","12.9338","0.0003","90","","105.257","0.003","90","","1454.05","0.07","105","9","105","9","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H52 Br2 F2 N4 O8 S4 -","- C52 H52 Br2 F2 N4 O8 S4 -","- C52 H52 Br2 F2 N4 O8 S4 -","1","0.5","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","x-ray","1.54184","CuKα","","0.0802","0.0742","","","0.189","0.1931","","","","","","1.036","","","","has coordinates,has disorder","261116","2021-01-21","22:22:40",""
"4518413","9.35619","0.00004","16.99","0.00007","17.21824","0.00008","90","","90","","90","","2737.04","0.02","101","2","101","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N2 O4 S2 -","- C27 H30 Cl2 N2 O4 S2 -","- C108 H120 Cl8 N8 O16 S8 -","4","1","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","x-ray","1.54184","CuKα","","0.0285","0.0267","","","0.0669","0.0684","","","","","","1.043","","","","has coordinates","261117","2021-01-21","22:23:21",""
"4518414","12.185","0.003","12.529","0.004","14.695","0.004","82.566","0.005","83.909","0.005","87.659","0.005","2211.2","1.1","203","","203","","","","","","","","","7","P -1","-P 1","2","","","","- C22.5 H19 Br Cl N O4 S -","- C22.5 H19 Br Cl N O4 S -","- C90 H76 Br4 Cl4 N4 O16 S4 -","4","2","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","","0.71073","MoKα","","0.1056","0.0724","","","0.2194","0.2345","","","","","","1.049","","","","has coordinates","261118","2021-01-21","22:23:49",""
"4518415","17.9772","0.0007","7.2344","0.0002","19.3786","0.0007","90","","115.013","0.005","90","","2283.9","0.17","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H62 N4 Pt Si2 -","- C44 H62 N4 Pt Si2 -","- C88 H124 N8 Pt2 Si4 -","2","0.5","","He, Ru; Xu, Zhengtao; Valandro, Silvano; Arman, Hadi D.; Xue, Jiangeng; Schanze, Kirk S.","High-Purity and Saturated Deep-Blue Luminescence from <i>trans</i>-NHC Platinum(II) Butadiyne Complexes: Properties and Organic Light Emitting Diode Application.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.0c21193","","x-ray","0.71073","MoKα","","0.0536","0.047","","","0.1181","0.1235","","","","","","1.123","","","","has coordinates","261146","2021-01-22","22:14:50",""
"4518416","8.0634","0.0003","9.8616","0.0003","13.9005","0.0005","86.075","0.003","87.123","0.003","71.255","0.003","1043.79","0.07","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H54 N4 Pt -","- C50 H54 N4 Pt -","- C50 H54 N4 Pt -","1","0.5","","He, Ru; Xu, Zhengtao; Valandro, Silvano; Arman, Hadi D.; Xue, Jiangeng; Schanze, Kirk S.","High-Purity and Saturated Deep-Blue Luminescence from <i>trans</i>-NHC Platinum(II) Butadiyne Complexes: Properties and Organic Light Emitting Diode Application.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.0c21193","","x-ray","0.71073","MoKα","","0.0239","0.0238","","","0.0594","0.0594","","","","","","1.096","","","","has coordinates,has disorder","261147","2021-01-22","22:15:08",""
"4518417","29.0335","0.001","9.8648","0.0002","11.2544","0.0003","90","","90","","90","","3223.37","0.15","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- Cs2 H3 O2 S14 Sb9 -","- Cs2 H3.0002 O2 S14 Sb9 -","- Cs8 H12.0008 O8 S56 Sb36 -","4","0.5","","Liao, Yi-Yu; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Ma, Wen; Jin, Jian-Ce; Feng, Mei-Ling; Huang, Xiao-Ying","Robust and Flexible Thioantimonate Materials for Cs+ Remediation with Distinctive Structural Transformation: A Clear Insight into the Ion-Exchange Mechanism","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c21756","","","0.71073","MoKα","","0.0353","0.0329","","","0.1023","0.1072","","","","","","1.014","","","","has coordinates,has disorder","261232","2021-01-26","22:14:18",""
"4518418","29.5767","0.0016","9.8711","0.0005","22.8189","0.0011","90","","90","","90","","6662.1","0.6","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H18 N3 S15 Sb9 -","- C3 H18.5 N3 S15 Sb9 -","- C24 H148 N24 S120 Sb72 -","8","1","","Liao, Yi-Yu; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Ma, Wen; Jin, Jian-Ce; Feng, Mei-Ling; Huang, Xiao-Ying","Robust and Flexible Thioantimonate Materials for Cs+ Remediation with Distinctive Structural Transformation: A Clear Insight into the Ion-Exchange Mechanism","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c21756","","","0.71073","MoKα","","0.03","0.0269","","","0.0652","0.0678","","","","","","1.014","","","","has coordinates,has disorder","261233","2021-01-26","22:14:50",""
"4518419","28.582","0.002","9.903","0.0007","11.2422","0.0006","90","","90","","90","","3182.1","0.4","291","2","291","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- H7 K2 O4 S14 Sb9 -","- H2.999 K2 O4 S14 Sb9 -","- H11.996 K8 O16 S56 Sb36 -","4","0.5","","Liao, Yi-Yu; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Ma, Wen; Jin, Jian-Ce; Feng, Mei-Ling; Huang, Xiao-Ying","Robust and Flexible Thioantimonate Materials for Cs+ Remediation with Distinctive Structural Transformation: A Clear Insight into the Ion-Exchange Mechanism","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.0c21756","","","0.71073","MoKα","","0.0482","0.0395","","","0.0943","0.1012","","","","","","1.087","","","","has coordinates,has disorder","261234","2021-01-26","22:15:24",""
"4518420","9.9196","0.0003","11.7763","0.0003","21.4011","0.0006","90","","90","","90","","2499.99","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","'((2R,3S,4S,6S)-3-acetoxy-4-(picolinamido)-6-(2,3,4-trimethoxyphenyl) tetrahydro-2H-pyran-2-yl)methyl acetate'","","","- C25 H30 N2 O9 -","- C25 H30 N2 O9 -","- C100 H120 N8 O36 -","4","1","","Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides","ACS Catalysis","2021","","","1818","1826","10.1021/acscatal.0c05052","","x-ray","0.71073","MoKα","","0.0535","0.0422","","","0.1093","0.1128","","","","","","1.056","","","","has coordinates,has disorder","261235","2021-01-26","22:25:33",""
"4518421","10.0246","0.0004","11.6273","0.0004","21.2713","0.0008","90","","90","","90","","2479.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'((2R,3S,4S,6S)-3-acetoxy-6-(4-isopropylphenyl)- 4-(picolinamido)tetrahydro-2H-pyran-2-yl)methyl acetate'","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","1","","Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides","ACS Catalysis","2021","","","1818","1826","10.1021/acscatal.0c05052","","x-ray","0.71073","MoKα","","0.0613","0.051","","","0.1383","0.1446","","","","","","1.042","","","","has coordinates","261236","2021-01-26","22:25:57",""
"4518422","8.4774","0.0001","10.9811","0.0001","18.1554","0.0001","90","","90","","90","","1690.11","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia","Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives","ACS Catalysis","2021","","","1827","1832","10.1021/acscatal.0c05020","","x-ray","1.54184","CuKα","","0.0229","0.0227","","","0.0587","0.0588","","","","","","1.054","","","","has coordinates","261237","2021-01-26","22:26:32",""
"4518423","9.7067","0.0001","9.7067","0.0001","39.2119","0.0003","90","","90","","120","","3199.57","0.05","100","0.1","100","0.1","","","","","","","","5","P 65","P 65","170","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C138 H162 N6 O24 S6 -","6","1","","Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia","Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives","ACS Catalysis","2021","","","1827","1832","10.1021/acscatal.0c05020","","x-ray","1.54184","CuKα","","0.0249","0.0248","","","0.0632","0.0632","","","","","","1.058","","","","has coordinates","261238","2021-01-26","22:26:57",""
"4518424","9.8183","0.0006","10.6368","0.0005","12.0379","0.0006","90","","100.785","0.002","90","","1234.98","0.11","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br4 Cu N2 O2 -","- C26 H16 Br4 Cu N2 O2 -","- C52 H32 Br8 Cu2 N4 O4 -","2","0.5","","Das, Manik; Mukherjee, Somali; Brandao, Paula; Seth, Saikat Kumar; Giri, Santanab; Mati, Soumya Sundar; Samanta, Bidhan Chandra; Laha, Soumik; Maity, Tithi","Active Bromoaniline‒Aldehyde Conjugate Systems and Their Complexes as Versatile Sensors of Multiple Cations with Logic Formulation and Efficient DNA/HSA-Binding Efficacy: Combined Experimental and Theoretical Approach","ACS Omega","2021","","","","","10.1021/acsomega.0c05189","","","0.71073","MoKα","","0.0713","0.0538","","","0.139","0.1498","","","","","","1.047","","","","has coordinates","261239","2021-01-26","22:40:16",""
"4518425","21.738","0.003","9.0322","0.0014","11.888","0.0018","90","","96.105","0.007","90","","2320.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 N2 O2 Zn -","- C26 H18 Br2 N2 O2 Zn -","- C104 H72 Br8 N8 O8 Zn4 -","4","0.5","","Das, Manik; Mukherjee, Somali; Brandao, Paula; Seth, Saikat Kumar; Giri, Santanab; Mati, Soumya Sundar; Samanta, Bidhan Chandra; Laha, Soumik; Maity, Tithi","Active Bromoaniline‒Aldehyde Conjugate Systems and Their Complexes as Versatile Sensors of Multiple Cations with Logic Formulation and Efficient DNA/HSA-Binding Efficacy: Combined Experimental and Theoretical Approach","ACS Omega","2021","","","","","10.1021/acsomega.0c05189","","","0.71073","MoKα","","0.0717","0.0503","","","0.1574","0.1726","","","","","","1.065","","","","has coordinates","261241","2021-01-26","22:41:05",""
"4518426","9.4521","0.0005","26.2261","0.0015","11.8032","0.0007","90","","103.62","0.002","90","","2843.6","0.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 O4 Si -","- C32 H34 O4 Si -","- C128 H136 O16 Si4 -","4","1","","Ni, Dongshun; Brown, M. Kevin","Three-Component Ni-Catalyzed Silylacylation of Alkenes","ACS Catalysis","2021","","","1858","1862","10.1021/acscatal.0c05449","","","0.71073","MoKα","","0.0837","0.0748","","","0.1145","0.1175","","","","","","1.272","","","","has coordinates","261271","2021-01-27","22:23:23",""
"4518427","7.2567","0.0018","10.516","0.004","11.444","0.004","90","","105.095","0.014","90","","843.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Au Cl4 N2 O4 -","- C12 H11 Au Cl4 N2 O4 -","- C24 H22 Au2 Cl8 N4 O8 -","2","0.5","","Nag, Abhijit; Islam, Md Rabiul; Pradeep, Thalappil","Selective Extraction of Gold by Niacin","ACS Sustainable Chemistry & Engineering","2021","","","","","10.1021/acssuschemeng.0c07409","","","0.71073","MoKα","","0.0354","0.0271","","","0.0644","0.071","","","","","","1.278","","","","has coordinates","261273","2021-01-27","23:01:38",""
"4518428","6.997","0.0006","7.1062","0.0004","8.7084","0.0005","68.407","0.005","68.867","0.007","62.662","0.007","347.9","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Co Cu N2 O8 -","- C12 H16 Cu N2 O8 -","- C12 H16 Cu N2 O8 -","1","0.5","","Nag, Abhijit; Islam, Md Rabiul; Pradeep, Thalappil","Selective Extraction of Gold by Niacin","ACS Sustainable Chemistry & Engineering","2021","","","","","10.1021/acssuschemeng.0c07409","","x-ray","0.71073","MoKα","","0.0306","0.03","","","0.0734","0.0739","","","","","","1.092","","","","has coordinates","261274","2021-01-27","23:02:02",""
"4518429","10.1057","0.0011","12.677","0.0016","24.493","0.003","90","","98.332","0.009","90","","3104.7","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Cl3 O6 -","- C34 H29 Cl3 O6 -","- C136 H116 Cl12 O24 -","4","1","","Koshikawa, Takumi; Nagashima, Yuki; Tanaka, Ken","Gold-Catalyzed [3 + 2] Annulation, Carbenoid Transfer, and C‒H Insertion Cascade: Elucidation of Annulation Mechanisms via Benzopyrylium Intermediates","ACS Catalysis","2021","","","1932","1937","10.1021/acscatal.0c05394","","x-ray","0.71073","MoKα","","0.1333","0.0881","","","0.234","0.2661","","","","","","1.045","","","","has coordinates,has disorder","261309","2021-01-29","22:24:34",""
"4518430","15.2754","0.0016","28.119","0.003","10.416","0.0009","90","","90","","90","","4474","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","vs_7mem_db_coord","","","- C48 H52 Cl4 N2 O Ru Si -","- C48 H52 Cl4 N2 O Ru Si -","- C192 H208 Cl16 N8 O4 Ru4 Si4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0463","0.0412","","","0.1194","0.1275","","","","","","1.006","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518431","13.6581","0.0008","10.7783","0.0006","30.3452","0.0016","90","","96.306","0.001","90","","4440.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cl4 N3 O3 Ru S -","- C43 H51 Cl4 N3 O3 Ru S -","- C172 H204 Cl16 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0642","0.0452","","","0.1236","0.1341","","","","","","0.987","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518432","21.747","0.007","16.485","0.005","23.171","0.008","90","","90","","90","","8307","5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","vs_db_vs_nts_6mem","","","- C41 H47 Cl4 N3 O2 Ru S -","- C41 H47 Cl4 N3 O2 Ru S -","- C328 H376 Cl32 N24 O16 Ru8 S8 -","8","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2258","0.0924","","","0.1899","0.2371","","","","","","1.008","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518433","11.0039","0.0007","12.6857","0.0009","20.649","0.0015","101.995","0.002","101.394","0.002","106.335","0.002","2603.1","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","vs_nts_db_coord2","","","- C55 H67 Cl2 N3 O6 Ru S -","- C55 H67 Cl2 N3 O6 Ru S -","- C110 H134 Cl4 N6 O12 Ru2 S2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0349","0.0292","","","0.0872","0.1022","","","","","","1.162","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518434","12.269","0.004","13.206","0.004","13.74","0.004","103.978","0.008","96.479","0.009","116.864","0.007","1862.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 Fe N2 Ru -","- C42 H49 Cl2 Fe N2 Ru -","- C84 H98 Cl4 Fe2 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.174","0.152","","","0.3805","0.3911","","","","","","2.544","","","","has coordinates,has disorder","262439","2021-03-04","02:51:52",""
"4518435","12.58","0.003","13.814","0.004","19.537","0.005","90.61","0.009","105.904","0.008","113.609","0.008","2963.8","1.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","vs_gh_2","","","- C59 H75 Cl4 N3 O7 Ru S -","- C59 H75 Cl4 N3 O7 Ru S -","- C118 H150 Cl8 N6 O14 Ru2 S2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.1357","0.0872","","","0.2108","0.2415","","","","","","1.203","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518436","11.6701","0.0009","29.6716","0.0019","13.7738","0.001","90","","93.446","0.002","90","","4760.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Cl2 N4 O4 Ru S2 -","- C48 H51 Cl2 N4 O4 Ru S2 -","- C192 H204 Cl8 N16 O16 Ru4 S8 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.1189","0.0708","","","0.1658","0.184","","","","","","1.126","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518437","10.2526","0.0009","12.923","0.0013","14.9304","0.0015","75.27","0.003","77.074","0.003","87.61","0.003","1864.5","0.3","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H52 Cl2 N2 O Ru -","- C41 H52 Cl2 N2 O Ru -","- C82 H104 Cl4 N4 O2 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0403","0.0346","","","0.0999","0.1068","","","","","","1.087","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518438","8.471","0.002","26.951","0.008","18.341","0.006","90","","97.843","0.009","90","","4148","2","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","venkata_Ru_Ts_coordination","","","- C40 H45 Cl4 N3 O2 Ru S -","- C40 H45 Cl4 N3 O2 Ru S -","- C160 H180 Cl16 N12 O8 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2783","0.1342","","","0.2586","0.3254","","","","","","1.248","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518439","15.3127","0.0015","13.8064","0.0011","22.985","0.002","90","","91.3","0.003","90","","4858.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","vs_db_coord_6","","","- C46 H55 Cl6 N3 O2 Ru S -","- C46 H55 Cl6 N3 O2 Ru S -","- C184 H220 Cl24 N12 O8 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0711","0.053","","","0.1488","0.1696","","","","","","1.088","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518440","13.3662","0.0008","19.3514","0.0012","18.2778","0.0011","90","","107.451","0.002","90","","4510","0.5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cl4 N3 O3 Ru S -","- C43 H52 Cl4 N3 O3 Ru S -","- C172 H208 Cl16 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.076","0.0579","","","0.1743","0.1901","","","","","","1.354","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518441","19.5436","0.0012","16.2686","0.001","25.2292","0.0014","90","","92.134","0.002","90","","8016","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 Cl10 N6 O4 Ru2 -","- C75 H78 Cl10 N6 O4 Ru2 -","- C300 H312 Cl40 N24 O16 Ru8 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.199","0.1476","","","0.31","0.3245","","","","","","1.879","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518442","11.9816","0.001","10.5576","0.0007","13.8098","0.0012","90","","93.972","0.003","90","","1742.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","vs_Ru_db_coord2","","","- C38 H46 Cl2 N2 Ru -","- C38 H46 Cl2 N2 Ru -","- C76 H92 Cl4 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0437","0.0358","","","0.0995","0.1149","","","","","","0.599","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518443","10.9001","0.0007","16.3943","0.001","21.6403","0.0014","90","","98.664","0.002","90","","3823","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N3 O3 Ru S -","- C41 H42 Cl2 N3 O3 Ru S -","- C164 H168 Cl8 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.097","0.0497","","","0.1174","0.1417","","","","","","0.901","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518444","12.6853","0.0018","12.842","0.002","32.754","0.005","90","","96.636","0.004","90","","5300","1.4","200","2","200.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Cl2 N3 O3 Ru S -","- C48 H57 Cl2 N3 O3 Ru S -","- C192 H228 Cl8 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0626","0.0543","","","0.1286","0.133","","","","","","1.103","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518445","8.3684","0.0005","33.246","0.002","20.5563","0.0012","90","","90.112","0.001","90","","5719.1","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H28 Fe9 N7 S10 -","- C7 H28 Fe9 N7 S10 -","- C56 H224 Fe72 N56 S80 -","8","2","","Harmer, Colin P.; Pak, Chongin; Greenfield, Joshua T.; Adeyemi, Adedoyin N.; Gamage, Eranga H.; Kovnir, Kirill","Non-innocent Intercalation of Diamines into Tetragonal FeS Superconductor","ACS Applied Energy Materials","2021","4","1","42","46","10.1021/acsaem.0c02996","","","0.71073","MoKα","","0.0694","0.0446","","","0.1018","0.1135","","","","","","1.033","","","","has coordinates","261397","2021-02-03","19:06:30",""
"4518446","8.8508","0.0016","37.001","0.005","9.4346","0.0017","90","","106.392","0.007","90","","2964.1","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0609","0.0416","","","0.0932","0.1061","","","","","","1.059","","","","has coordinates","261398","2021-02-03","19:55:57",""
"4518447","8.8436","0.0014","36.972","0.005","9.4214","0.0015","90","","106.219","0.005","90","","2957.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0419","0.0316","","","0.0741","0.0776","","","","","","1.106","","","","has coordinates","261398","2021-02-03","19:56:04",""
"4518448","8.8631","0.0004","36.9985","0.0014","9.4245","0.0004","90","","106.276","0.001","90","","2966.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0535","0.0386","","","0.0829","0.0895","","","","","","1.094","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518449","8.8491","0.0004","36.9838","0.0016","9.4145","0.0004","90","","106.242","0.002","90","","2958.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tm -","- C33 N6 O7 Tm -","- C132 N24 O28 Tm4 -","4","1","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.057","0.04","","","0.0875","0.0948","","","","","","1.101","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518450","17.9171","0.0006","9.4355","0.0003","11.8787","0.0004","90","","125.177","0.001","90","","1641.43","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0188","0.0184","","","0.0543","0.0546","","","","","","1.083","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518451","17.9251","0.0013","9.4357","0.0006","11.8884","0.0009","90","","125.156","0.002","90","","1644","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0213","0.0209","","","0.0588","0.0591","","","","","","1.08","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518452","17.9101","0.0007","9.4336","0.0003","11.8747","0.0004","90","","125.175","0.001","90","","1639.95","0.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.0187","0.0183","","","0.0541","0.0543","","","","","","1.063","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518453","17.9182","0.0008","9.4384","0.0004","11.88","0.0005","90","","125.166","0.001","90","","1642.44","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thulium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tm -","- C18 N3 O6 Tm -","- C72 N12 O24 Tm4 -","4","0.5","","Lu, Huangjie; Zheng, Zhaofa; Li, Zi-Jian; Bao, Hongliang; Guo, Xiaojing; Guo, Xiaofeng; Lin, Jian; Qian, Yuan; Wang, Jian-Qiang","Achieving UV and X-ray Dual Photochromism in a Metal-Organic Hybrid via Structural Modulation.","ACS applied materials & interfaces","2021","13","2","2745","2752","10.1021/acsami.0c20036","","","0.71073","MoKα","","0.019","0.0184","","","0.0545","0.0549","","","","","","1.096","","","","has coordinates","261398","2021-02-03","19:56:06",""
"4518454","14.1525","0.0017","22.975","0.003","15.202","0.0017","90","","107.265","0.004","90","","4720.3","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N4 O1.45 S -","- C27 H26 N4 O1.425 S -","- C216 H208 N32 O11.4 S8 -","8","2","","Wang, Xing-Huo; Lou, Xin-Yue; Lu, Tong; Wang, Chunyu; Tang, Jun; Liu, Fengqi; Wang, Yan; Yang, Ying-Wei","Supramolecular Engineering of Efficient Artificial Light-Harvesting Systems from Cyanovinylene Chromophores and Pillar[5]arene-Based Polymer Hosts.","ACS applied materials & interfaces","2021","13","3","4593","4604","10.1021/acsami.0c21651","","","0.71073","MoKα","","0.1639","0.1035","","","0.2871","0.335","","","","","","1.105","","","","has coordinates,has disorder","261399","2021-02-03","19:57:06",""
"4518455","10.2816","0.0004","10.786","0.0003","11.5784","0.0004","99.889","0.001","98.5","0.001","111.27","0.001","1147.48","0.07","293","2","294.5","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 N4 O S -","- C25 H26 N4 O S -","- C50 H52 N8 O2 S2 -","2","1","","Wang, Xing-Huo; Lou, Xin-Yue; Lu, Tong; Wang, Chunyu; Tang, Jun; Liu, Fengqi; Wang, Yan; Yang, Ying-Wei","Supramolecular Engineering of Efficient Artificial Light-Harvesting Systems from Cyanovinylene Chromophores and Pillar[5]arene-Based Polymer Hosts.","ACS applied materials & interfaces","2021","13","3","4593","4604","10.1021/acsami.0c21651","","","0.71073","MoKα","","0.0884","0.0611","","","0.158","0.179","","","","","","1.036","","","","has coordinates,has disorder","261400","2021-02-03","19:57:32",""
"4518456","10.482","0.002","11.48","0.002","12.182","0.002","109.71","0.03","102.2","0.03","98.68","0.03","1308.9","0.6","225","2","225","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H49 Co P2 -","- C26 H49 Co P2 -","- C52 H98 Co2 P4 -","2","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.7","synchrotron","","0.0543","0.0506","","","0.128","0.1311","","","","","","1.057","","","","has coordinates","261401","2021-02-03","20:18:40",""
"4518457","9.289","0.0019","9.1","0.0018","16.695","0.003","90","","91.33","0.03","90","","1410.8","0.5","243","2","243","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H53 Co P2 -","- C29 H48 Co P2 -","- C58 H96 Co2 P4 -","2","0.5","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.73","synchrotron","","0.0901","0.0664","","","0.1893","0.2104","","","","","","1.15","","","","has coordinates,has disorder","261402","2021-02-03","20:19:09",""
"4518458","9.8781","0.0005","20.7751","0.0013","20.9768","0.0012","90","","92.271","0.002","90","","4301.4","0.4","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 Co P4 -","- C52 H49 Co P4 -","- C208 H196 Co4 P16 -","4","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.71073","MoKα","","0.0649","0.0355","","","0.0687","0.0756","","","","","","1.051","","","","has coordinates","261403","2021-02-03","20:19:41",""
"4518459","9.1792","0.0003","13.8808","0.0004","23.1857","0.0008","90","","90","","90","","2954.2","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 Co I2 P2 -","- C26 H48 Co I2 P2 -","- C104 H192 Co4 I8 P8 -","4","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.71073","MoKα","","0.0466","0.0294","","","0.0486","0.0532","","","","","","1.062","","","","has coordinates","261404","2021-02-03","20:20:06",""
"4518460","16.485","0.003","24.296","0.004","24.715","0.004","90","","90","","90","","9899","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 F N2 O7 -","- C37 H35 F N2 O7 -","- C444 H420 F12 N24 O84 -","12","3","","Tang, Xiaodong; Tan, Chuan Xiang Alvin; Chan, Wai-Lun; Zhang, Fuhao; Zheng, Wenrui; Lu, Yixin","Dielectrophilic Allenic Ketone-Enabled [4 + 2] Annulation with 3,3’-Bisoxindoles: Enantioselective Creation of Two Contiguous Quaternary Stereogenic Centers","ACS Catalysis","2021","","","1361","1367","10.1021/acscatal.0c05225","","","1.54178","CuKα","","0.0674","0.066","","","0.1824","0.1839","","","","","","1.049","","","","has coordinates,has disorder","261405","2021-02-03","20:21:34",""
"4518461","13.9071","0.0008","9.5864","0.0005","16.966","0.001","90","","100.194","0.002","90","","2226.2","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O -","- C14 H15 N O -","- C112 H120 N8 O8 -","8","2","","Mo, Jiayu; Messinis, Antonis M.; Oliveira, João C. A.; Demeshko, Serhiy; Meyer, Franc; Ackermann, Lutz","Iron-Catalyzed Triazole-Enabled C‒H Activation with Bicyclopropylidenes","ACS Catalysis","2021","","","1053","1064","10.1021/acscatal.0c04748","","","0.71073","MoKα","","0.0866","0.0774","","","0.208","0.217","","","","","","1.087","","","","has coordinates","261406","2021-02-03","20:22:00",""
"4518462","5.781","0.0004","9.7023","0.0005","56.176","0.003","90","","90","","90","","3150.9","0.3","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Br O2 -","- C36 H51 Br O2 -","- C144 H204 Br4 O8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0601","0.0546","","","0.1188","0.1226","","","","","","1.077","","","","has coordinates","261407","2021-02-03","20:22:40",""
"4518463","4.6608","0.0002","8.0082","0.0003","22.8683","0.0009","90","","90","","90","","853.55","0.06","98","2","98","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N -","- C11 H9 N -","- C44 H36 N4 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0392","0.0389","","","0.0839","0.0841","","","","","","1.218","","","","has coordinates","261408","2021-02-03","20:23:03",""
"4518464","10.3922","0.0006","8.5924","0.0004","13.4648","0.0008","90","","112.087","0.007","90","","1114.09","0.12","98","2","98","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N -","- C15 H11 N -","- C60 H44 N4 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0446","0.0425","","","0.0974","0.0986","","","","","","1.099","","","","has coordinates","261409","2021-02-03","20:23:26",""
"4518465","11.807","0.0002","11.5282","0.00017","7.74435","0.00011","90","","108.688","0.0017","90","","998.54","0.03","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 O2 -","- C13 H10 O2 -","- C52 H40 O8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","1.54184","CuKα","","0.0367","0.034","","","0.09","0.0922","","","","","","1.011","","","","has coordinates","261410","2021-02-03","20:23:49",""
"4518466","16.6487","0.0007","5.1944","0.0002","11.2609","0.0004","90","","101.125","0.004","90","","955.54","0.07","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C48 H40 N8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0559","0.0539","","","0.1148","0.116","","","","","","1.229","","","","has coordinates","261411","2021-02-03","20:24:13",""
"4518467","16.8262","0.0002","19.3356","0.0002","41.108","0.0004","90","","90","","90","","13374.3","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C63 H98 Ag2 O6 P2 -","- C63 H98 Ag2 O6 P2 -","- C504 H784 Ag16 O48 P16 -","8","1","","Tlahuext-Aca, Adrian; Hartwig, John F.","Site-Selective Silver-Catalyzed C‒H Bond Deuteration of Five-Membered Aromatic Heterocycles and Pharmaceuticals","ACS Catalysis","2021","","","1119","1127","10.1021/acscatal.0c04917","","","0.71073","MoKα","","0.048","0.0386","","","0.0963","0.0999","","","","","","1.023","","","","has coordinates","261412","2021-02-03","20:25:39",""
"4518468","5.591","0.0011","21.778","0.004","12.608","0.003","90","","99.18","0.03","90","","1515.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-pyridone","","- C18 H17 N O S2 -","- C18 H17 N O S2 -","- C72 H68 N4 O4 S8 -","4","1","","Wang, Rong-Hua; Li, Jiang-Fei; Li, Yue; Qi, Shao-Long; Zhang, Tao; Luan, Yu-Xin; Ye, Mengchun","Selective C(sp3)‒H Cleavage of Enamides for Synthesis of 2-Pyridones via Ligand-Enabled Ni‒Al Bimetallic Catalysis","ACS Catalysis","2021","11","2","858","864","10.1021/acscatal.0c04585","","","0.71073","MoKα","","0.0665","0.0517","","","0.1603","0.1787","","","","","","1.113","","","","has coordinates","261413","2021-02-03","20:26:27",""
"4518469","12.5558","0.0019","12.2352","0.0018","21.214","0.003","90","","91.478","0.005","90","","3257.9","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 I N3 O5 S -","- C32 H40 I N3 O5 S -","- C128 H160 I4 N12 O20 S4 -","4","2","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0355","0.0322","","","0.0793","0.0817","","","","","","1.043","","","","has coordinates,has disorder","261414","2021-02-03","20:26:54",""
"4518470","22.7379","0.0012","7.3689","0.0004","14.3911","0.0007","90","","91.61","0.002","90","","2410.3","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H28 N2 O5 S -","- C27 H28 N2 O5 S -","- C108 H112 N8 O20 S4 -","4","1","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0322","0.0301","","","0.0732","0.0747","","","","","","1.05","","","","has coordinates","261415","2021-02-03","20:27:22",""
"4518471","9.912","0.002","17.662","0.004","10.435","0.002","90","","114.281","0.002","90","","1665.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H2 B F13 -","- C19 H2 B F13 -","- C76 H8 B4 F52 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0349","","","0.1134","0.1159","","","","","","1.056","","","","has coordinates","261416","2021-02-03","20:28:06",""
"4518472","16.0009","0.0012","4.7685","0.0004","16.6499","0.0012","90","","116.991","0.0008","90","","1132.02","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F8 O -","- C13 H3 B F8 O -","- C52 H12 B4 F32 O4 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0329","","","0.0934","0.0981","","","","","","1.059","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518473","7.1648","0.0019","12.225","0.003","8.905","0.002","90","","110.083","0.003","90","","732.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H8 F8 Sn -","- C15 H8 F8 Sn -","- C30 H16 F16 Sn2 -","2","0.5","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0261","0.0258","","","0.1012","0.1015","","","","","","1.163","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518474","11.6772","0.001","13.7805","0.0009","16.5498","0.0012","90","","90.116","0.004","90","","2663.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C104 H152 N8 O32 -","8","2","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0528","0.0468","","","0.1182","0.127","","","","","","1.111","","","","has coordinates","261417","2021-02-03","20:28:43",""
"4518475","8.579","0.003","9.584","0.003","36.054","0.011","90","","94.669","0.012","90","","2954.6","1.7","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H52 O4 -","- C32 H52 O4 -","- C128 H208 O16 -","4","2","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0421","0.0395","","","0.0995","0.1009","","","","","","1.121","","","","has coordinates","261418","2021-02-03","20:29:08",""
"4518476","9.8509","0.0003","22.6483","0.0007","12.9093","0.0003","90","","90","","90","","2880.14","0.14","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C128 H160 O32 -","8","1","","Kang, Guowei; Romo, Daniel","Photocatalyzed, β-Selective Hydrocarboxylation of α,β-Unsaturated Esters with CO2 under Flow for β-Lactone Synthesis","ACS Catalysis","2021","","","1309","1315","10.1021/acscatal.0c05050","","","0.71073","MoKα","","0.0529","0.0419","","","0.12","0.1283","","","","","","1.091","","","","has coordinates","261419","2021-02-03","20:29:45",""
"4518477","6.03","0.03","30.28","0.16","11.18","0.06","90","","104.36","0.05","90","","1978","18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl F2 N3 O4 -","- C21 H16 Cl F2 N3 O4 -","- C84 H64 Cl4 F8 N12 O16 -","4","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1609","0.0739","","","0.1969","0.2447","","","","","","1.027","","","","has coordinates","261420","2021-02-03","21:02:33",""
"4518478","19.05","0.003","10.8747","0.0014","19.747","0.003","90","","90","","90","","4090.8","1","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F3 N4 O3 -","- C20 H14 Cl F3 N4 O3 -","- C160 H112 Cl8 F24 N32 O24 -","8","1","","Konduri, Srihari; Bhargavi, Dodda; Prashanth, Jyothi; Krishna, Vagolu Siva; Sriram, Dharmarajan; Rao, Koya Prabhakara","Design and Synthesis of ""Chloropicolinate Amides and Urea Derivatives"" as Novel Inhibitors for <i>Mycobacterium tuberculosis</i>.","ACS omega","2021","6","2","1657","1667","10.1021/acsomega.0c05690","","","0.71073","MoKα","","0.1055","0.0524","","","0.1091","0.1323","","","","","","1.01","","","","has coordinates","261421","2021-02-03","21:02:57",""
"4518479","11.3899","0.0014","14.5663","0.0015","6.6853","0.0006","90","","90","","90","","1109.1","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H10 Cu N5 O4 -","- C8 H10 Cu N5 O4 -","- C32 H40 Cu4 N20 O16 -","4","1","","Wang, Ying; Gong, Shuang-Shuang; Liu, Yue; Cheng, Lin; Li, Shuang-Shuang; Zhang, Ying; Cui, Yukun; Liang, Chenlu; Tang, Li; Ren, Peng; Fang, Yu; Day, Gregory S.","SC-SC Anion-Assisted Linker Exchange within a Three-Dimensional Cu(II)-Triazole Framework: A Luminescent Probe for S<sup>2</sup>.","ACS omega","2021","6","2","1266","1272","10.1021/acsomega.0c04676","","","0.71073","MoKα","","0.0604","0.0436","","","0.0948","0.0987","","","","","","1.003","","","","has coordinates","261422","2021-02-03","21:03:20",""
"4518480","12.097","0.0012","7.7388","0.0008","15.2512","0.0015","90","","98.357","0.004","90","","1412.6","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(13R,15aS,16S,111R,111aR,2S)-111,34,2-trihydroxy-56-methoxy-12- methyl-11,12,13,14,15a,16-hexahydro-111H-4,7-dioxa-1(3,6)-3,11a- epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazina-3,5(1,3)- dibenzenacycloheptaphane-11,14,6-trione","","- C29 H30 N2 O12 S2 -","- C29 H30 N2 O12 S2 -","- C58 H60 N4 O24 S4 -","2","1","","Oberhofer, Martina; Wackerlig, Judith; Zehl, Martin; Büyük, Havva; Cao, Jia Jian; Prado-Roller, Alexander; Urban, Ernst; Zotchev, Sergey B.","Endophytic <i>Akanthomyces</i> sp. LN303 from Edelweiss Produces Emestrin and Two New 2-Hydroxy-4 Pyridone Alkaloids.","ACS omega","2021","6","3","2184","2191","10.1021/acsomega.0c05472","","","0.71073","MoKα","","0.1094","0.0609","","","0.1169","0.1403","","","","","","1.031","","","","has coordinates","261423","2021-02-03","21:04:05",""
"4518481","10.7161","0.0004","20.8498","0.001","6.5316","0.0002","90","","90","","90","","1459.35","0.1","297","","297","","","","","","","","","5","P n n a","-P 2a 2bc","52","Potassium Vanadium Phosphate Hydrate","tripotassium trivanadium tetraphosphate monohydrate","","- H2 K3 O17 P4 V3 -","- H2 K3 O17 P4 V3 -","- H8 K12 O68 P16 V12 -","4","0.5","","Jenkins, Tristram; Alarco, Jose A.; Mackinnon, Ian D. R.","Synthesis and Characterization of a Novel Hydrated Layered Vanadium(III) Phosphate Phase K<sub>3</sub>V<sub>3</sub>(PO<sub>4</sub>)<sub>4</sub>·H<sub>2</sub>O: A Functional Cathode Material for Potassium-Ion Batteries.","ACS omega","2021","6","3","1917","1929","10.1021/acsomega.0c04675","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.02918","1.08","","","","","","","has coordinates","261424","2021-02-03","21:04:46",""
"4518482","5.0947","0.0003","6.15","0.0003","5.3209","0.0004","90","","90.528","0.005","90","","166.71","0.018","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","LiPON","'Crystalline lithium phosphorous oxynitride'","","- Li3.6 N0.6 O3.4 P -","- Li3.68 N0.417 O3.583 P -","- Li7.36 N0.834 O7.166 P2 -","2","0.5","","López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse","Crystalline LiPON as a Bulk-Type Solid Electrolyte","ACS Energy Letters","2021","","","445","450","10.1021/acsenergylett.0c02336","powder diffraction","","1.54418","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7853","","","","","","","","has coordinates","261425","2021-02-03","21:10:29",""
"4518483","5.098","0.001","6.1581","0.0013","5.3237","0.0012","90","","90.598","0.015","90","","167.12","0.06","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","LiPON","'Crystalline lithium phosphorous oxynitride'","","- Li3.6 N0.6 O3.4 P -","- Li3.68 N0.417 O3.583 P -","- Li7.36 N0.834 O7.166 P2 -","2","0.5","","López-Aranguren, Pedro; Reynaud, Marine; Głuchowski, Paweł; Bustinza, Ainhoa; Galceran, Montserrat; López del Amo, Juan Miguel; Armand, Michel; Casas-Cabanas, Montse","Crystalline LiPON as a Bulk-Type Solid Electrolyte","ACS Energy Letters","2021","","","445","450","10.1021/acsenergylett.0c02336","powder diffraction","","","X-ray","","","","","","","","","14.0915","","","","","","","","has coordinates","261426","2021-02-03","21:10:52",""
"4518484","7.272","0.002","11.453","0.004","12.792","0.004","105.317","0.011","97.72","0.011","94.62","0.01","1010.7","0.6","304","2","304","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H45 N8 O30 Zn3.5 -","- C26 H45 N8 O30 Zn3.5 -","- C26 H45 N8 O30 Zn3.5 -","1","0.5","","Li, Yixing; Zhang, Xiao; Lan, Jianwen; Li, Dazhi; Wang, Zhijiang; Xu, Ping; Sun, Jianmin","A High-Performance Zinc-Organic Framework with Accessible Open Metal Sites Catalyzes CO2 and Styrene Oxide into Styrene Carbonate under Mild Conditions","ACS Sustainable Chemistry & Engineering","2021","9","7","2795","2803","10.1021/acssuschemeng.0c08466","","","0.71073","MoKα","","0.0636","0.0625","","","0.1759","0.1765","","","","","","1.068","","","","has coordinates,has disorder","262444","2021-03-04","02:53:01",""
"4518485","12.8144","0.0003","12.8952","0.0003","13.416","0.0003","116.726","0.001","96.583","0.001","101.93","0.001","1881.84","0.08","171","2","171.28","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H104 O12 -","- C84 H104 O12 -","- C84 H104 O12 -","1","0.5","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.34139","GaKα","","0.0626","0.0573","","","0.1539","0.159","","","","","","1.036","","","","has coordinates","262436","2021-03-04","02:50:14",""
"4518486","13.9241","0.0002","17.2403","0.0002","17.675","0.0002","83.9386","0.0008","75.6551","0.0008","76.0824","0.0007","3985.24","0.09","170","2","170.15","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H84 Br12 O12 -","- C75 H84 Br12 O12 -","- C150 H168 Br24 O24 -","2","1","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.34139","GaKα","","0.0797","0.0677","","","0.1727","0.1836","","","","","","1.035","","","","has coordinates,has disorder","262436","2021-03-04","02:50:15",""
"4518487","13.7487","0.0003","14.2271","0.0003","21.6029","0.0006","78.509","0.001","76.447","0.001","74.69","0.001","3919.43","0.16","170","2","170.15","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H82 Br12 O12 -","- C75 H82 Br12 O12 -","- C150 H164 Br24 O24 -","2","1","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.34139","GaKα","","0.0876","0.0824","","","0.2105","0.2139","","","","","","1.06","","","","has coordinates,has disorder","262436","2021-03-04","02:50:15",""
"4518488","12.5513","0.001","22.912","0.0019","14.5522","0.0012","90","","113.997","0.004","90","","3823.1","0.6","296","2","296","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C75 H96 O12 -","- C75 H96 O12 -","- C150 H192 O24 -","2","0.5","","Zhu, Weijie; Li, Errui; Huang, Feihe","Highly Selective Separation of Isopropylbenzene and α-Methylstyrene by Nonporous Adaptive Crystals of Perbromoethylated Pillararene via Vapor- and Liquid-Phase Adsorptions.","ACS applied materials & interfaces","2021","13","6","7370","7376","10.1021/acsami.0c23059","","","1.54178","CuKα","","0.1973","0.1173","","","0.2695","0.3276","","","","","","0.863","","","","has coordinates,has disorder","262436","2021-03-04","02:50:15",""
"4518489","21.42","0.004","5.19","0.001","16.74","0.003","90","","106.8","0.03","90","","1781.6","0.6","100","","100","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","2","","Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik","Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.","ACS applied materials & interfaces","2021","13","6","7546","7555","10.1021/acsami.0c21248","","","0.02508","200keVelectrons","","0.1575","0.1492","","","0.3564","0.3641","","","","","","1.379","","","","has coordinates","262438","2021-03-04","02:50:33",""
"4518490","12.51","0.003","4.64","0.0009","33.91","0.007","90","","96.5","0.03","90","","1955.7","0.7","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","0.5","","Cho, Hye Jin; Kim, Kyung-Su; Kim, Hyunwoo; Kim, Taewoo; Malyutin, Andrey G.; Rees, Douglas C.; Yoo, Byung-Kuk; Song, Changsik","Microcrystal Electron Diffraction Elucidates Water-Specific Polymorphism-Induced Emission Enhancement of Bis-arylacylhydrazone.","ACS applied materials & interfaces","2021","13","6","7546","7555","10.1021/acsami.0c21248","","","0.02508","200keVelectrons","","0.2178","0.2128","","","0.5027","0.5051","","","","","","1.109","","","","has coordinates","262438","2021-03-04","02:50:33",""
"4518491","8.3204","0.0004","15.5192","0.0007","16.447","0.001","73.735","0.004","80.49","0.003","80.842","0.002","1996.37","0.18","170","2","170.03","","","","","","","","","3","P -1","-P 1","2","","","","- C49 H52 Br2 -","- C49 H52 Br2 -","- C98 H104 Br4 -","2","1","","Gao, Honglei; Ge, Congwu; Hou, Bin; Xin, Hanshen; Gao, Xike","Correction to “Incorporation of 1,3-Free-2,6-Connected Azulene Units into the Backbone of Conjugated Polymers: Improving Proton Responsiveness and Electrical Conductivity’’","ACS Macro Letters","2021","","","312","312","10.1021/acsmacrolett.1c00051","","","1.34139","GaKα","","0.1409","0.1187","","","0.2711","0.2858","","","","","","0.988","","","","has coordinates","261830","2021-02-06","22:49:25",""
"4518492","21.436","0.004","21.436","0.004","15.419","0.003","90","","90","","90","","7085","2","296.15","","296.15","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C60 H76 Cd2 Cl8 N40 O28 -","- C60 H76 Cd2 Cl8 N40 O28 -","- C120 H152 Cd4 Cl16 N80 O56 -","2","0.125","","Liu, Ming; Chen, Lixia; Shan, Peihui; Lian, Chengjie; Zhang, Zenghui; Zhang, Yunqian; Tao, Zhu; Xiao, Xin","Pyridine Detection Using Supramolecular Organic Frameworks Incorporating Cucurbit[10]uril.","ACS applied materials & interfaces","2021","13","6","7434","7442","10.1021/acsami.0c20292","","x-ray","0.71073","MoKα","","0.249","0.1488","","","0.4247","0.4773","","","","","","1.416","","","","has coordinates","262437","2021-03-04","02:50:25",""
"4518493","27.2621","0.0009","33.0868","0.0011","13.1605","0.0004","90","","90","","90","","11871","0.7","296.15","","296.15","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C98 H140 N6 O12 P2 Pd2 S2 -","- C98 H140 N6 O12 P2 Pd2 S2 -","- C392 H560 N24 O48 P8 Pd8 S8 -","4","1","","Hang, Chao; Ramirez, Antonio; Chan, Collin; Hsiao, Yi; DelMonte, Albert J.; Simmons, Eric M.","Mechanistic Studies of a Pd-Catalyzed Direct Arylation En Route to Beclabuvir: Dual Role of a Tetramethylammonium Cation and an Unusual Turnover-Limiting Step","ACS Catalysis","2021","","","2460","2472","10.1021/acscatal.0c05533","","x-ray","1.54178","CuKα","","0.0447","0.0433","","","0.1233","0.1259","","","","","","1.092","","","","has coordinates,has disorder","261869","2021-02-10","22:24:04",""
"4518494","9.13","0.005","10.005","0.005","13.765","0.006","92.986","0.017","101.29","0.02","107.468","0.018","1167.9","1","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Au Cl Fe2 P -","- C26 H23 Au Cl Fe2 P -","- C52 H46 Au2 Cl2 Fe4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0462","0.0406","","","0.1011","0.1042","","","","","","1.045","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518495","10.872","0.005","11.237","0.005","11.91","0.005","65.276","0.018","72.47","0.02","73.215","0.017","1237.8","1","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 Au Cl Fe2 O2 P -","- C27 H23 Au Cl Fe2 O2 P -","- C54 H46 Au2 Cl2 Fe4 O4 P2 -","2","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.05","0.0454","","","0.1206","0.1225","","","","","","1.111","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518496","18.102","0.004","14.686","0.004","25.322","0.005","90","","109.296","0.01","90","","6354","3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H28 Au Cl4 Fe3 P -","- C31 H28 Au Cl4 Fe3 P -","- C248 H224 Au8 Cl32 Fe24 P8 -","8","1","","Hu, Hao; Ichiryu, Hiroki; Nakajima, Kiyohiko; Ogasawara, Masamichi","Estimating Effective Steric and Electronic Impacts of a Ferrocenyl Group in Organophosphines","ACS Omega","2021","6","8","5981","5989","10.1021/acsomega.1c00307","","","0.71075","MoKα","","0.0528","0.0427","","","0.1055","0.1102","","","","","","1.071","","","","has coordinates","262441","2021-03-04","02:52:24",""
"4518497","19.1751","0.0019","9.6598","0.001","13.3995","0.0013","90","","120.229","0.0014","90","","2144.5","0.4","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C88 H100 N12 O20 -","- C88 H100 N12 O20 -","- C88 H100 N12 O20 -","1","0.25","","Wang, Jingdong; Liu, Yuxin; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Hai-feng","Novel Chiral Thiourea Derived from Hydroquinine and l-Phenylglycinol: An Effective Catalyst for Enantio- and Diastereoselective Aza-Henry Reaction","ACS Omega","2021","6","8","5812","5824","10.1021/acsomega.0c06233","","","0.71073","MoKα","","0.0496","0.0452","","","0.1031","0.1064","","","","","","1.049","","","","has coordinates","262440","2021-03-04","02:52:10",""
"4518498","15.1676","0.0012","16.5831","0.0013","17.0312","0.0013","106.676","0.002","95.767","0.003","116.781","0.002","3528.7","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H68 Cl4 N4 O8 -","- C82 H68 Cl4 N4 O8 -","- C164 H136 Cl8 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1552","0.0751","","","0.1813","0.2504","","","","","","1.034","","","","has coordinates,has disorder","262442","2021-03-04","02:52:38",""
"4518499","13.1368","0.001","16.167","0.0012","16.9132","0.0012","75.115","0.002","85.626","0.002","75.727","0.003","3364.1","0.4","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","- C168 H141 Cl N8 O16 -","1","0.5","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1187","0.0653","","","0.1298","0.1782","","","","","","1.044","","","","has coordinates,has disorder","262442","2021-03-04","02:52:39",""
"4518500","13.8322","0.0004","14.8314","0.0005","17.2503","0.0006","86.082","0.001","70.408","0.001","80.111","0.001","3284.27","0.19","308","2","308","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H68 N4 O8 -","- C81 H68 N4 O8 -","- C162 H136 N8 O16 -","2","1","","Wang, Jie; Shi, Dong","Correlation between the Intrinsic Photophysical Properties of the Spirobifluorene-Derived Monomer","ACS Omega","2021","6","8","5972","5980","10.1021/acsomega.1c00262","","","0.71073","MoKα","","0.1305","0.0646","","","0.1702","0.2197","","","","","","1.031","","","","has coordinates","262442","2021-03-04","02:52:39",""
"4518501","17.1482","0.0014","16.0706","0.0013","21.2524","0.0017","90","","90","","90","","5856.8","0.8","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H46 B F4 Ir O P2 -","- C24 H46 B F4 Ir O P2 -","- C192 H368 B8 F32 Ir8 O8 P16 -","8","1","","Shada, Arun Dixith Reddy; Miller, Alexander J. M.; Emge, Thomas J.; Goldman, Alan S.","Catalytic Dehydrogenation of Alkanes by PCP‒Pincer Iridium Complexes Using Proton and Electron Acceptors","ACS Catalysis","2021","","","3009","3016","10.1021/acscatal.0c05160","","","0.71073","MoKα","","0.0456","0.0323","","","0.0693","0.0748","","","","","","1.049","","","","has coordinates,has disorder","262165","2021-02-23","22:23:34",""
"4518502","10.2063","0.0007","10.6518","0.0008","20.6939","0.0017","90","","102.966","0.007","90","","2192.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F3 N3 O3 S -","- C22 H22 F3 N3 O3 S -","- C88 H88 F12 N12 O12 S4 -","4","1","","Kim, Yeong Bum; Won, Joonghee; Lee, Jeonghyo; Kim, Junho; Zhou, Bingwei; Park, Jung-Woo; Baik, Mu-Hyun; Chang, Sukbok","Ni-Catalyzed Intermolecular C(sp3)‒H Amidation Tuned by Bidentate Directing Groups","ACS Catalysis","2021","","","3067","3072","10.1021/acscatal.1c00070","","","0.71073","MoKα","","0.1296","0.0712","","","0.1255","0.1447","","","","","","1.086","","","","has coordinates","262166","2021-02-23","22:23:58",""
"4518503","31.67","0.004","31.67","0.004","16.727","0.004","90","","90","","120","","14529","4","200","2","200","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C174 H167 Cl Ir3 N18 Ni6 O56 -","- C174 H167 Cl0.9996 Ir3 N18 Ni6 O56 -","- C174 H167 Cl0.9996 Ir3 N18 Ni6 O56 -","1","0.0416667","","Wang, Yefei; Zhou, Zhen; Zhao, Liang; He, Cheng; Sun, Wenlong; Duan, Chunying","Ir-Porphyrin-Based Metal-Organic Framework as a Dual Metallo- and Photocatalyst for Inert Alkyl C(sp<sup>3</sup>)<b>-</b>H Bond Activation and Direct Functionalization.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.0c22276","","","0.71073","MoKα","","0.2133","0.1399","","","0.2936","0.3241","","","","","","0.913","","","","has coordinates,has disorder","262236","2021-02-25","22:15:15",""
"4518504","31.7187","0.0008","31.7187","0.0008","16.8606","0.0005","90","","90","","120","","14690.4","0.7","200","2","200","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C144 H86 Cl Ir3 N12 Ni6 O32 -","- C144 H85.9992 Cl1.0002 Ir3 N12 Ni6 O32 -","- C144 H85.9992 Cl1.0002 Ir3 N12 Ni6 O32 -","1","0.0416667","","Wang, Yefei; Zhou, Zhen; Zhao, Liang; He, Cheng; Sun, Wenlong; Duan, Chunying","Ir-Porphyrin-Based Metal-Organic Framework as a Dual Metallo- and Photocatalyst for Inert Alkyl C(sp<sup>3</sup>)<b>-</b>H Bond Activation and Direct Functionalization.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.0c22276","","","0.71073","MoKα","","0.1215","0.0965","","","0.2792","0.2953","","","","","","1.155","","","","has coordinates","262237","2021-02-25","22:15:50",""
"4518505","4.6993","0.0005","10.038","0.001","30.155","0.003","90","","90","","90","","1422.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HMBA","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Kamaal, Saima; Mehkoom, Mohd; Ali, Arif; Afzal, S. M.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Musheer","Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration","ACS Omega","2021","","","","","10.1021/acsomega.0c05557","","","0.71073","MoKα","","0.0621","0.0464","","","0.1023","0.1121","","","","","","1.08","","","","has coordinates","262238","2021-02-25","22:37:33",""
"4518506","18.9718","0.0016","18.9718","0.0016","37.653","0.008","90","","90","","120","","11737","3","287","2","287","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C29.93 H14.86 N2.93 O15 Zn3 -","- C29.934 H14.868 N2.934 O15 Zn3 -","- C179.604 H89.208 N17.604 O90 Zn18 -","6","0.166667","","Wang, Shuo; Gong, Mengyao; Han, Xue; Zhao, Dian; Liu, Jingwen; Lu, Yantong; Li, Chunxia; Chen, Banglin","Embedding Red Emitters in the NbO-Type Metal‒Organic Frameworks for Highly Sensitive Luminescence Thermometry over Tunable Temperature Range","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c00635","","","0.71073","MoKα","","0.08","0.0605","","","0.2022","0.2264","","","","","","1.194","","","","has coordinates,has disorder","262276","2021-02-26","22:15:01",""
"4518507","18.1379","0.0003","10.3208","0.0002","14.2997","0.0002","90","","99.566","0.002","90","","2639.65","0.08","120","0.1","120","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 B2 F2 O4 -","- C30 H36 B2 F2 O4 -","- C120 H144 B8 F8 O16 -","4","0.5","","Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.","Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation","ACS Catalysis","2021","","","3190","3197","10.1021/acscatal.1c00282","","x-ray","1.54178","CuKα","","0.0591","0.0481","","","0.1241","0.1325","","","","","","1.02","","","","has coordinates","262277","2021-02-26","22:25:48",""
"4518508","10.318","0.0002","29.4659","0.0008","6.7167","0.0002","90","","93.252","0.002","90","","2038.78","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H33 B2 F O2 -","- C23 H33 B2 F O2 -","- C92 H132 B8 F4 O8 -","4","1","","Willcox, Dominic R.; Nichol, Gary S.; Thomas, Stephen P.","Borane-Catalyzed C(sp3)‒F Bond Arylation and Esterification Enabled by Transborylation","ACS Catalysis","2021","","","3190","3197","10.1021/acscatal.1c00282","","x-ray","1.54184","CuKα","","0.0588","0.056","","","0.146","0.1483","","","","","","1.039","","","","has coordinates,has disorder","262278","2021-02-26","22:26:11",""
"4518509","11.0122","0.0003","14.9674","0.0004","17.6793","0.0005","90","","97.4462","0.0014","90","","2889.4","0.14","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H44 Hf N2 -","- C31 H44 Hf N2 -","- C124 H176 Hf4 N8 -","4","1","","Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J.","Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations","ACS Catalysis","2021","","","3239","3250","10.1021/acscatal.0c04678","","","1.54178","CuKα","","0.0231","0.0207","","","0.05","0.0513","","","","","","1.039","","","","has coordinates","262311","2021-02-27","22:22:17",""
"4518510","17.2803","0.0012","9.5964","0.0006","33.993","0.002","90","","90.416","0.004","90","","5636.9","0.6","100","2","99.82","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H42 Hf N2 -","- C30 H42 Hf N2 -","- C240 H336 Hf8 N16 -","8","2","","Zhang, Jialong; Mason, Alexander H.; Motta, Alessandro; Cesar, Laryssa G.; Kratish, Yosi; Lohr, Tracy L.; Miller, Jeffrey T.; Gao, Yanshan; Marks, Tobin J.","Surface vs Homogeneous Organo-Hafnium Catalyst Ion-Pairing and Ligand Effects on Ethylene Homo- and Copolymerizations","ACS Catalysis","2021","","","3239","3250","10.1021/acscatal.0c04678","","","0.71073","MoKα","","0.1411","0.0949","","","0.2218","0.2365","","","","","","1.102","","","","has coordinates","262312","2021-02-27","22:22:41",""
"4518511","24.072","0.005","14.465","0.004","15.452","0.004","90","","125.76","0.014","90","","4366","2","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H42 F6 Fe N10 O7 S2 -","- C33 H42 F6 Fe N10 O7 S2 -","- C132 H168 F24 Fe4 N40 O28 S8 -","4","0.5","","Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc","Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue","ACS Catalysis","2021","","","3257","3267","10.1021/acscatal.0c04518","","","0.71073","MoKα","","0.0764","0.0595","","","0.1811","0.1967","","","","","","1.067","","","","has coordinates,has disorder","262321","2021-02-28","22:22:01",""
"4518512","13.5494","0.0005","14.2148","0.0003","23.1891","0.0008","90","","90.538","0.003","90","","4466.1","0.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cl2 F6 Fe N8 O8 S2 -","- C31 H38 Cl2 F6 Fe N8 O8 S2 -","- C124 H152 Cl8 F24 Fe4 N32 O32 S8 -","4","1","","Massie, Allyssa A.; Schremmer, Claudia; Rüter, Isabelle; Dechert, Sebastian; Siewert, Inke; Meyer, Franc","Selective Electrocatalytic CO2 Reduction to CO by an NHC-Based Organometallic Heme Analogue","ACS Catalysis","2021","","","3257","3267","10.1021/acscatal.0c04518","","","0.71073","MoKα","","0.1578","0.08","","","0.1699","0.2129","","","","","","1.035","","","","has coordinates","262321","2021-02-28","22:22:02",""
"4518513","11.7202","0.0009","15.0045","0.0013","15.5031","0.0014","65.591","0.009","88.123","0.007","69.401","0.008","2303.5","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H45 Cl4 Ir N4 O2 -","- C51 H45 Cl4 Ir N4 O2 -","- C102 H90 Cl8 Ir2 N8 O4 -","2","1","","Li, Wentao; He, Yani; Miao, Tiezheng; Lü, Xingqiang; Fu, Guorui; Wong, Wai-Yeung; He, Hongshan","All-Solution-Processed Multilayered White Polymer Light-Emitting Diodes (WPLEDs) Based on Cross-Linked [Ir(4-vb-PBI)<sub>2</sub>(acac)].","ACS applied materials & interfaces","2021","13","9","11096","11107","10.1021/acsami.0c16581","","x-ray","0.71073","MoKα","","0.1114","0.0839","","","0.2086","0.2319","","","","","","1.039","","","","has coordinates","263572","2021-04-04","09:55:48",""
"4518514","11.657","0.002","32.375","0.006","12.033","0.002","90","","97.304","0.002","90","","4504.3","1.4","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 B11 Cl11 F N2 Si Ti -","- C26 H45 B11 Cl11 F N2 Si Ti -","- C104 H180 B44 Cl44 F4 N8 Si4 Ti4 -","4","1","","Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy","Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts","ACS Catalysis","2021","11","6","3335","3342","10.1021/acscatal.0c04228","","","0.71073","MoKα","","0.0558","0.0456","","","0.0886","0.0983","","","","","","1.198","","","","has coordinates,has disorder","263578","2021-04-04","09:57:33",""
"4518515","12.1095","0.0013","15.0642","0.0017","17.4165","0.0019","83.88","0.001","75.362","0.001","85.783","0.001","3052.9","0.6","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H69 B11 Cl11 F N2 Si2 Ti2 -","- C40 H69 B11 Cl11 F N2 Si2 Ti2 -","- C80 H138 B22 Cl22 F2 N4 Si4 Ti4 -","2","1","","Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy","Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts","ACS Catalysis","2021","11","6","3335","3342","10.1021/acscatal.0c04228","","","0.71073","MoKα","","0.0493","0.0332","","","0.0725","0.0829","","","","","","1.068","","","","has coordinates","263578","2021-04-04","09:57:33",""
"4518516","28.3137","0.0013","20.2338","0.0009","18.0946","0.0008","90","","100.088","0.001","90","","10206","0.8","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N3 O12 Zn3 -","- C48 H28 N3 O12 Zn3 -","- C192 H112 N12 O48 Zn12 -","4","1","","Ying, Xu-Dong; Chen, Jian-Xiang; Tu, Dan-Yu; Zhuang, Yi-Cao; Wu, Di; Shen, Liang","Tetraphenylpyrazine-Based Luminescent Metal-Organic Framework for Chemical Sensing of Carcinoids Biomarkers.","ACS applied materials & interfaces","2021","13","5","6421","6429","10.1021/acsami.0c20893","","","0.71073","MoKα","","0.0669","0.0499","","","0.1564","0.1659","","","","","","1.048","","","","has coordinates,has disorder","262401","2021-03-03","19:44:51",""
"4518517","21.5743","0.0008","21.5743","0.0008","34.449","0.002","90","","90","","90","","16034.3","1.3","296","2","296.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H36 N12 Ni2 O12 S2 -","- C32 H36 N12 Ni2 O12 S2 -","- C512 H576 N192 Ni32 O192 S32 -","16","1","","Zhang, Shihui; Zhang, Shuyu; Yin, Nan; Huang, Zhenqi; Xu, Wenhua; Yue, Kefen; Li, Xiuyuan; Li, Dongsheng","Exploring Reversible Thermochromic Behavior in a Rare Ni(II)-MOF System.","ACS applied materials & interfaces","2021","13","5","6430","6441","10.1021/acsami.0c21116","","","0.71073","MoKα","","0.0605","0.0394","","","0.0957","0.1063","","","","","","1.01","","","","has coordinates,has disorder","262402","2021-03-03","19:45:25",""
"4518518","6.3982","0.0003","7.4255","0.0003","18.09","0.0008","90","","97.995","0.002","90","","851.1","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C52 H32 N4 -","2","0.5","","Gómez, Paula; Georgakopoulos, Stamatis; Más-Montoya, Miriam; Cerdá, Jesús; Pérez, José; Ortí, Enrique; Aragó, Juan; Curiel, David","Improving the Robustness of Organic Semiconductors through Hydrogen Bonding.","ACS applied materials & interfaces","2021","13","7","8620","8630","10.1021/acsami.0c18928","","","1.54178","CuKα","","0.0604","0.0493","","","0.1283","0.1356","","","","","","1.139","","","","has coordinates","262403","2021-03-03","20:06:00",""
"4518519","16.8479","0.0007","13.0685","0.0005","22.9363","0.001","90","","105.919","0.005","90","","4856.4","0.4","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","none","","","- C20 H48 N6 O S14 Sn6 -","- C20 H48 N6 O S14 Sn6 -","- C80 H192 N24 O4 S56 Sn24 -","4","1","","Li, Wei-An; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Jin, Jian-Ce; Huang, Xiao-Ying; Feng, Mei-Ling","Layered Thiostannates with Distinct Arrangements of Mixed Cations for the Selective Capture of Cs<sup>+</sup>, Sr<sup>2+</sup>, and Eu<sup>3+</sup> Ions.","ACS applied materials & interfaces","2021","13","8","10191","10201","10.1021/acsami.0c22690","","","0.71073","MoKα","","0.0929","0.0628","","","0.1699","0.2092","","","","","","1.015","","","","has coordinates,has disorder","262404","2021-03-03","20:06:51",""
"4518520","26.2298","0.0007","26.2298","0.0007","17.6575","0.0007","90","","90","","120","","10520.8","0.6","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","none","","","- C12 H27.75 N3.25 O S7 Sn3 -","- C10.5 H20.625 N2.625 O0.375 S7 Sn3 -","- C168 H330 N42 O6 S112 Sn48 -","16","1.33333","","Li, Wei-An; Li, Jian-Rong; Zhang, Bo; Sun, Hai-Yan; Jin, Jian-Ce; Huang, Xiao-Ying; Feng, Mei-Ling","Layered Thiostannates with Distinct Arrangements of Mixed Cations for the Selective Capture of Cs<sup>+</sup>, Sr<sup>2+</sup>, and Eu<sup>3+</sup> Ions.","ACS applied materials & interfaces","2021","13","8","10191","10201","10.1021/acsami.0c22690","","","0.71073","MoKα","","0.0595","0.0429","","","0.1047","0.1164","","","","","","1.101","","","","has coordinates,has disorder","262405","2021-03-03","20:07:26",""
"4518521","8.2209","0.0013","31.649","0.005","15.344","0.002","90","","102.728","0.002","90","","3894.2","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21.5 H21 Cr0.5 N2 O2.5 P0.5 -","- C21.5 H21 Cr0.5 N2 O2.5 P0.5 -","- C172 H168 Cr4 N16 O20 P4 -","8","2","","Hong, Young Hyun; Jang, Yuri; Ezhov, Roman; Seo, Mi Sook; Lee, Yong-Min; Pandey, Bhawana; Hong, Seungwoo; Pushkar, Yulia; Fukuzumi, Shunichi; Nam, Wonwoo","A Highly Reactive Chromium(V)‒Oxo TAML Cation Radical Complex in Electron Transfer and Oxygen Atom Transfer Reactions","ACS Catalysis","2021","","","2889","2901","10.1021/acscatal.1c00079","","","0.71073","MoKα","","0.1302","0.0641","","","0.1652","0.2092","","","","","","0.8235","","","","has coordinates","262406","2021-03-03","20:33:22",""
"4518522","18.5023","0.0007","7.8493","0.0003","22.7256","0.0007","90","","90","","90","","3300.4","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","1","","Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun","Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition","ACS Catalysis","2021","","","2684","2690","10.1021/acscatal.0c05515","","x-ray","1.54184","CuKα","","0.0695","0.0565","","","0.1526","0.165","","","","","","1.048","","","","has coordinates","262407","2021-03-03","20:34:24",""
"4518523","28.1259","0.0009","7.5367","0.0003","20.6213","0.0005","90","","104.756","0.003","90","","4227.1","0.2","173","0.1","173","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C40 H34 Br8 N2 O6 -","- C40 H34 Br8 N2 O6 -","- C160 H136 Br32 N8 O24 -","4","1","","Gao, Can; Wang, Xunhua; Liu, Jitian; Li, Xiaoxun","Highly Diastereo- and Enantioselective Synthesis of Tetrahydrobenzo[b]azocines via Palladium-Catalyzed [4 + 4] Cycloaddition","ACS Catalysis","2021","","","2684","2690","10.1021/acscatal.0c05515","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0634","0.0642","","","","","","1.07","","","","has coordinates","262408","2021-03-03","20:34:48",""
"4518524","28.027","0.002","10.1457","0.0007","12.2742","0.0009","90","","114.564","0.001","90","","3174.3","0.4","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CHTosMe","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C120 H176 N16 O16 S8 -","8","1","","Coin, Guillaume; Dubourdeaux, Patrick; Avenier, Frédéric; Patra, Ranjan; Castro, Ludovic; Lebrun, Colette; Bayle, Pierre-Alain; Pécaut, Jacques; Blondin, Geneviève; Maldivi, Pascale; Latour, Jean-Marc","Experiments and DFT Computations Combine to Decipher Fe-Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion","ACS Catalysis","2021","11","4","2253","2266","10.1021/acscatal.0c03791","","","0.71073","MoKα","","0.0665","0.0384","","","0.1003","0.1081","","","","","","0.925","","","","has coordinates","262409","2021-03-03","20:35:29",""
"4518525","10.30461","0.00016","7.07541","0.00011","13.213","0.0002","90","","92.0022","0.0014","90","","962.76","0.03","240","0.1","240","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei","Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes","ACS Catalysis","2021","11","4","2279","2287","10.1021/acscatal.0c04777","","x-ray","1.54184","CuKα","","0.0333","0.0324","","","0.0892","0.0905","","","","","","1.03","","","","has coordinates","262410","2021-03-03","20:37:47",""
"4518526","12.9092","0.0008","22.3669","0.0012","18.0189","0.0011","90","","101.288","0.002","90","","5102.1","0.5","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ca(o-MeO-C6H3-Br-p)]","","","- C55 H76 B Br Ca N6 O -","- C55 H76 B Br Ca N6 O -","- C220 H304 B4 Br4 Ca4 N24 O4 -","4","1","","Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua","Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane","ACS Catalysis","2021","11","4","2041","2046","10.1021/acscatal.0c05440","","","0.71073","MoKα","","0.0716","0.0581","","","0.1509","0.1608","","","","","","1.046","","","","has coordinates","262411","2021-03-03","20:38:30",""
"4518527","13.0462","0.0007","21.9662","0.0009","17.99","0.0009","90","","104.112","0.002","90","","4999.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ca(o-MeO-CH2C6H4)]","","","- C56 H79 B Ca N6 O -","- C56 H79 B Ca N6 O -","- C224 H316 B4 Ca4 N24 O4 -","4","1","","Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua","Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane","ACS Catalysis","2021","11","4","2041","2046","10.1021/acscatal.0c05440","","","0.71073","MoKα","","0.0809","0.059","","","0.1388","0.1562","","","","","","1.028","","","","has coordinates,has disorder","262411","2021-03-03","20:38:31",""
"4518528","8.0424","0.00005","13.88872","0.00007","25.03583","0.00014","90","","90","","90","","2796.47","0.03","100.01","0.1","100.01","0.1","","","","","","","Lindera aggregata","3","P 21 21 21","P 2ac 2ab","19","","Linderaggrenolide A","","- C31 H38 O8 -","- C31 H38 O8 -","- C124 H152 O32 -","4","1","","Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan","Linderaggrenolides A‒N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata","ACS Omega","2021","6","8","5898","5909","10.1021/acsomega.0c06349","","x-ray","1.54184","CuKα","","0.0311","0.0307","","","0.0787","0.079","","","","","","1.058","","","","has coordinates","262412","2021-03-03","21:08:00",""
"4518529","10.0138","0.0008","12.6312","0.0009","14.498","0.0014","101.619","0.007","100.574","0.007","101.945","0.006","1708.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 Fe2 O8 P S2 -","- C33 Fe2 O8 P S2 -","- C66 Fe4 O16 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.104","0.066","","","0.1809","0.214","","","","","","1.033","","","","has coordinates","262413","2021-03-03","21:09:09",""
"4518530","11.3522","0.001","12.0516","0.0015","13.4728","0.0011","67.057","0.009","65.881","0.008","64.689","0.01","1468.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C28.5 H18.5 Fe2 N O5 P S2 -","- C28.5 H18.5 Fe2 N O5 P S2 -","- C57 H37 Fe4 N2 O10 P2 S4 -","2","1","","Pandey, Indresh Kumar; Agarwal, Tashika; Mobin, Shaikh M.; Stein, Matthias; Kaur-Ghumaan, Sandeep","Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand.","ACS omega","2021","6","6","4192","4203","10.1021/acsomega.0c04901","","","0.71073","MoKα","","0.1098","0.0645","","","0.1339","0.1589","","","","","","1.04","","","","has coordinates,has disorder","262414","2021-03-03","21:09:32",""
"4518531","10.1335","0.0003","29.5446","0.0006","16.6587","0.0004","90","","106.065","0.003","90","","4792.7","0.2","170","0.1","170","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Cl4 Co F N3 -","- C54 H52 Cl4 Co F N3 -","- C216 H208 Cl16 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.0539","0.0409","","","0.0997","0.1054","","","","","","1.0217","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518532","21.7565","0.0016","14.1649","0.0009","16.2888","0.001","90","","111.466","0.008","90","","4671.7","0.6","170","0.1","170","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl2 Co F N3 -","- C50 H44 Cl2 Co F N3 -","- C200 H176 Cl8 Co4 F4 N12 -","4","1","","Bariashir, Chantsalnyam; Zhang, Randi; Vignesh, Arumugam; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Enhancing Ethylene Polymerization of <i>NNN</i>-Cobalt(II) Precatalysts Adorned with a Fluoro-substituent.","ACS omega","2021","6","6","4448","4460","10.1021/acsomega.0c05916","","x-ray","0.71073","MoKα","","0.1094","0.0613","","","0.1525","0.1724","","","","","","0.991","","","","has coordinates","262415","2021-03-03","21:10:24",""
"4518533","12.771","0.0006","12.1463","0.0005","9.6862","0.0004","90","","92.048","0.004","90","","1501.57","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Yi, Ming-Jun; Zhang, Huan-Xin; Xiao, Teng-Fei; Zhang, Ji-Hua; Feng, Zhi-Tao; Wei, Li-Pu; Xu, Guo-Qiang; Xu, Peng-Fei","Photoinduced Metal-Free α-C(sp3)‒H Carbamoylation of Saturated Aza-Heterocycles via Rationally Designed Organic Photocatalyst","ACS Catalysis","2021","11","6","3466","3472","10.1021/acscatal.1c00242","","x-ray","1.54184","CuKα","","0.0646","0.0475","","","0.1288","0.1428","","","","","","1.043","","","","has coordinates","263580","2021-04-04","09:57:46",""
"4518534","38.486","0.006","38.486","0.006","11.122","0.003","90","","90","","120","","14267","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C138 H62 O61 Sm8 -","- C138 H62.0004 O61.0002 Sm7.9998 -","- C414 H186.001 O183.001 Sm23.9994 -","3","0.166667","","Zhang, Gang-Qiang; Gao, Lou-Jun; Chai, Hong-Mei; Ren, Yi-Xia","Novel Multifunctional Samarium-Organic Framework for Fluorescence Sensing of Ag<sup>+</sup>, MnO<sub>4</sub><sup>-</sup>, and Cimetidine and Electrochemical Sensing of <i>o</i>-Nitrophenol in Aqueous Solutions.","ACS omega","2021","6","10","6810","6816","10.1021/acsomega.0c05867","","","0.71073","MoKα","","0.0693","0.0661","","","0.1555","0.1574","","","","","","1.127","","","","has coordinates,has disorder","263586","2021-04-04","09:59:08",""
"4518535","8.3926","0.0004","23.5709","0.0011","14.3271","0.0007","90","","92.6796","0.0014","90","","2831.1","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Cl N O3 P S -","- C25 H47 Cl N O3 P S -","- C100 H188 Cl4 N4 O12 P4 S4 -","4","1","","Hu, Rong-Bin; Lam, Ying-Pong; Ng, Wing-Hin; Wong, Chun-Yuen; Yeung, Ying-Yeung","Zwitterion-Induced Organic‒Metal Hybrid Catalysis in Aerobic Oxidation","ACS Catalysis","2021","11","6","3498","3506","10.1021/acscatal.0c05684","","","0.71073","MoKα","","0.0601","0.0488","","","0.1357","0.1479","","","","","","1.057","","","","has coordinates,has disorder","263576","2021-04-04","09:57:09",""
"4518536","10.4612","0.0006","6.7009","0.0003","15.9349","0.001","90","","102.822","0.006","90","","1089.17","0.11","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C50 H60 O6 Si2 -","2","1","","Zhang, Liangliang; Oestreich, Martin","Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile","ACS Catalysis","2021","11","6","3516","3522","10.1021/acscatal.1c00436","","x-ray","1.54184","CuKα","","0.0537","0.0414","","","0.0853","0.0938","","","","","","1.061","","","","has coordinates","263579","2021-04-04","09:57:40",""
"4518537","8.317","0.0017","12.218","0.002","15.239","0.003","77.72","0.03","87.35","0.03","86.42","0.03","1509.3","0.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H25 Cl F2 N2 O4 -","- C40.4455 H24.891 Cl0.891 F2 N2 O4 -","- C80.891 H49.782 Cl1.782 F4 N4 O8 -","2","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.0785","0.0709","","","0.2042","0.2113","","","","","","1.097","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518538","8.183","0.0016","22.095","0.004","17.827","0.004","90","","102.33","0.03","90","","3148.8","1.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40.5 H24.75 Br2 Cl0.75 N2 O4 -","- C40.4255 H24.851 Br2 Cl0.851 N2 O4 -","- C161.702 H99.404 Br8 Cl3.404 N8 O16 -","4","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.066","0.0595","","","0.167","0.1722","","","","","","1.106","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518539","7.836","0.0016","21.112","0.004","18.169","0.004","90","","101.14","0.03","90","","2949.1","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H25 N3 O4 -","- C41 H25 N3 O4 -","- C164 H100 N12 O16 -","4","2","","Shang, Xiaobo; Ahn, Jaeyong; Lee, Jeong Hyeon; Kim, Jin Chul; Ohtsu, Hiroyoshi; Choi, Wanuk; Song, Inho; Kwak, Sang Kyu; Oh, Joon Hak","Bay-Substitution Effect of Perylene Diimides on Supramolecular Chirality and Optoelectronic Properties of Their Self-Assembled Nanostructures.","ACS applied materials & interfaces","2021","13","10","12278","12285","10.1021/acsami.0c23138","","","0.7","synchrotron","","0.149","0.0982","","","0.2569","0.3001","","","","","","0.997","","","","has coordinates","263571","2021-04-04","09:55:36",""
"4518540","12.7695","0.0003","11.3269","0.0002","23.2057","0.0006","90","","104.041","0.003","90","","3256.16","0.13","297","","297","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba9 Cr4 S19 -","- Ba9 Cr4 S19 -","- Ba36 Cr16 S76 -","4","0.5","","Yan, Hong; Matsushita, Yoshitaka; Chikamatsu, Akira; Hasegawa, Tetsuya; Yamaura, Kazunari; Tsujimoto, Yoshihiro","Flux Crystal Growth, Crystal Structure, and Magnetic Properties of a Ternary Chromium Disulfide Ba<sub>9</sub>Cr<sub>4</sub>S<sub>19</sub> with Unusual Cr<sub>4</sub>S<sub>15</sub> Tetramer Units.","ACS omega","2021","6","10","6842","6847","10.1021/acsomega.0c06017","","x-ray","0.71073","MoKα","","0.0362","0.0257","","","0.0411","0.0431","","","","","","1.035","","","","has coordinates","263585","2021-04-04","09:58:54",""
"4518541","19.1327","0.0017","7.2972","0.0005","6.373","0.0005","90","","91.194","0.008","90","","889.57","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H16 O S -","- C26 H16 O S -","- C52 H32 O2 S2 -","2","1","","Wang, Jiangfeng; He, Yaowu; Guo, Shenghui; Ali, Muhammad Umair; Zhao, Changbin; Zhu, Yanan; Wang, Tao; Wang, Yunrui; Miao, Jingsheng; Wei, Guodan; Meng, Hong","Multifunctional Benzo[4,5]thieno[3,2-<i>b</i>]benzofuran Derivative with High Mobility and Luminescent Properties.","ACS applied materials & interfaces","2021","13","10","12250","12258","10.1021/acsami.0c21286","","x-ray","0.71073","MoKα","","0.0872","0.0841","","","0.2262","0.2287","","","","","","1.099","","","","has coordinates","263570","2021-04-04","09:55:25",""
"4518542","8.6539","0.0002","7.8453","0.0002","13.4413","0.0004","90","","106.621","0.003","90","","874.43","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C38 H34 N2 O12 -","2","1","","Liang, Juncong; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Inverse Evolution of Helicity from the Molecular to the Macroscopic Level Based on N-Terminal Aromatic Amino Acids","ACS Nano","2021","","","","","10.1021/acsnano.0c10876","","x-ray","1.54184","CuKα","","0.0542","0.043","","","0.1025","0.1105","","","","","","1.041","","","","has coordinates","262889","2021-03-08","22:49:30",""
"4518543","8.6041","0.0003","7.8124","0.0002","13.3755","0.0005","90","","106.743","0.004","90","","860.97","0.05","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 N O6 -","- C19 H17 N O6 -","- C38 H34 N2 O12 -","2","1","","Liang, Juncong; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Inverse Evolution of Helicity from the Molecular to the Macroscopic Level Based on N-Terminal Aromatic Amino Acids","ACS Nano","2021","","","","","10.1021/acsnano.0c10876","","x-ray","1.54184","CuKα","","0.0808","0.0784","","","0.1906","0.1937","","","","","","1.064","","","","has coordinates","262890","2021-03-08","22:49:50",""
"4518544","22.5321","0.0006","8.3857","0.0002","22.2758","0.0005","90","","100.736","0.003","90","","4135.28","0.18","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C176 H192 Br8 N8 O24 S8 -","8","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0524","0.0471","","","0.1216","0.1285","","","","","","1.035","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518545","8.3815","0.0002","16.1769","0.0003","28.5494","0.0006","90","","90","","90","","3870.92","0.14","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Br2 N2 O6 S2 -","- C40 H40 Br2 N2 O6 S2 -","- C160 H160 Br8 N8 O24 S8 -","4","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0602","0.052","","","0.138","0.1704","","","","","","1.111","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518546","6.923","0.003","21.697","0.01","15.616","0.008","90","","90","","90","","2345.7","1.9","273","2","273","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","","0.71073","MoKα","","0.1445","0.0868","","","0.1951","0.2354","","","","","","1.071","","","","has coordinates,has disorder","263581","2021-04-04","09:57:58",""
"4518547","7.9105","0.0008","10.1433","0.0014","12.1778","0.0013","68.787","0.005","73.015","0.004","71.871","0.005","847.74","0.17","170","2","169.96","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C40 H54 N2 O4 -","2","1","","Zhou, Kun; Hao, Hong-Yan; Mao, Yang-Jie; Wu, Qiu-Zi; Chen, Lei; Wang, Shuang; Jin, Wu; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Solvent-less Dehydrogenative C‒H Etherification with Alcohols Using Mechanochemistry","ACS Sustainable Chemistry & Engineering","2021","9","12","4433","4439","10.1021/acssuschemeng.0c08201","","","1.34139","GaKα","","0.0509","0.0452","","","0.1212","0.1275","","","","","","1.051","","","","has coordinates","263591","2021-04-04","10:00:09",""
"4518548","9.0104","0.0006","16.6022","0.001","18.9828","0.0011","90","","90","","90","","2839.7","0.3","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","z","","- C32 H33 N O5 S2 -","- C32 H33 N O5 S2 -","- C128 H132 N4 O20 S8 -","4","1","","Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan","Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols","ACS Catalysis","2021","11","6","3755","3761","10.1021/acscatal.1c00296","","","1.34138","GaKα","","0.0414","0.0359","","","0.0902","0.0924","","","","","","1.091","","","","has coordinates","263577","2021-04-04","09:57:20",""
"4518549","3.6227","0.0002","16.8605","0.0007","20.181","0.0011","90","","90.542","0.003","90","","1232.61","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Ag5 O18 -","- C18 H19 Ag5 O18 -","- C36 H38 Ag10 O36 -","2","0.5","","Fernandes, Tiago A.; Costa, Inês F M; Jorge, Paula; Sousa, Ana Catarina; André, Vânia; Cerca, Nuno; Kirillov, Alexander M.","Silver(I) Coordination Polymers Immobilized into Biopolymer Films for Antimicrobial Applications.","ACS applied materials & interfaces","2021","13","11","12836","12844","10.1021/acsami.0c19446","","","0.71073","MoKα","","0.0686","0.0483","","","0.0995","0.1075","","","","","","1.059","","","","has coordinates","263573","2021-04-04","09:55:58",""
"4518550","18.0157","0.0009","7.5287","0.0005","12.3181","0.0007","90","","132.675","0.005","90","","1228.36","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Ag O5 -","- C5 H4 Ag O5 -","- C40 H32 Ag8 O40 -","8","1","","Fernandes, Tiago A.; Costa, Inês F M; Jorge, Paula; Sousa, Ana Catarina; André, Vânia; Cerca, Nuno; Kirillov, Alexander M.","Silver(I) Coordination Polymers Immobilized into Biopolymer Films for Antimicrobial Applications.","ACS applied materials & interfaces","2021","13","11","12836","12844","10.1021/acsami.0c19446","","","0.71073","MoKα","","0.0361","0.0332","","","0.087","0.0899","","","","","","1.058","","","","has coordinates","263573","2021-04-04","09:55:58",""
"4518551","7.3043","0.0005","11.8154","0.0008","12.0064","0.0006","67.444","0.006","87.953","0.005","88.503","0.005","956.23","0.11","293","","293","","","","","","","","","4","P 1","P 1","1","-Epicatechin","(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol","","- C38 H42 N4 O21 -","- C38 H42 N4 O21 -","- C38 H42 N4 O21 -","1","1","","Budziak-Wieczorek, Iwona; Maciołek, Urszula","Synthesis and Characterization of a (−)-Epicatechin and Barbituric Acid Cocrystal: Single-Crystal X-ray Diffraction and Vibrational Spectroscopic Studies","ACS Omega","2021","6","12","8199","8209","10.1021/acsomega.0c06239","","","1.54184","CuKα","","0.067","0.0593","","","0.1554","0.1779","","","","","","1.08","","","","has coordinates","263589","2021-04-04","09:59:46",""
"4518552","13.3536","0.0007","13.7853","0.0007","26.6637","0.0015","87.12","0.002","85.473","0.002","63.756","0.002","4388","0.4","150.01","","150.01","","","","","","","","","8","P -1","-P 1","2","","","","- C92 H80 Au2 Cl2 N4 O12 P6 Pt -","- C92 H80 Au2 Cl2 N4 O12 P6 Pt -","- C184 H160 Au4 Cl4 N8 O24 P12 Pt2 -","2","1","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.051","0.0436","","","0.1182","0.1241","","","","","","1.029","","","","has coordinates,has disorder","263574","2021-04-04","09:56:27",""
"4518553","23.1201","0.0006","20.7108","0.0006","23.5545","0.0006","90","","110.966","0.001","90","","10532","0.5","174.17","","174.17","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C98 H104 Au2 Cl14 O12 P6 Pt -","- C98 H104 Au2 Cl14 O12 P6 Pt -","- C392 H416 Au8 Cl56 O48 P24 Pt4 -","4","0.5","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.0555","0.0362","","","0.0697","0.0784","","","","","","1.018","","","","has coordinates,has disorder","263574","2021-04-04","09:56:27",""
"4518554","13.1943","0.0007","13.6496","0.0007","14.7391","0.0007","72.828","0.002","66.057","0.002","81.14","0.002","2316.1","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H84 Au2 Cl10 O12 P6 Pt -","- C88 H84 Au2 Cl10 O12 P6 Pt -","- C88 H84 Au2 Cl10 O12 P6 Pt -","1","0.5","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.0462","0.0395","","","0.1052","0.1112","","","","","","1.038","","","","has coordinates","263574","2021-04-04","09:56:27",""
"4518555","13.2884","0.001","16.9733","0.0017","25.489","0.002","97.061","0.003","99.631","0.003","95.252","0.003","5587.9","0.8","100.02","","100.02","","","","","","","","","8","P -1","-P 1","2","","","","- C112 H98 Au Cl9 N2 O13 P6 Pt2 -","- C112 H98 Au Cl9.0001 N2 O13 P6 Pt2 -","- C224 H196 Au2 Cl18.0002 N4 O26 P12 Pt4 -","2","1","","Wang, Zhao-Yi; Zhang, Li-Yi; Xu, Liang-Jin; Shi, Lin-Xi; Wang, Jin-Yun; Chen, Zhong-Ning","Elaborate Design of d<sup>8</sup>-d<sup>10</sup> Heteronuclear Phosphors for Ultrahigh-Efficiency Solution-Processed Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","12","14433","14439","10.1021/acsami.1c00222","","","0.71073","MoKα","","0.0716","0.0621","","","0.1645","0.1715","","","","","","1.031","","","","has coordinates,has disorder","263574","2021-04-04","09:56:27",""
"4518556","19.207","0.008","17.052","0.005","18.322","0.007","90","","120","0.02","90","","5197","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Li2 N2 O12 Zn2 -","- C54 H34 Li2 N2 O12 Zn2 -","- C216 H136 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","","0.79313","synchrotron","","0.0936","0.0655","","","0.1778","0.1952","","","","","","1.058","","","","has coordinates,has disorder","263575","2021-04-04","09:56:46",""
"4518557","19.2232","0.0011","17.053","0.0011","18.2386","0.0013","90","","119.979","0.005","90","","5178.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H32 Li2 N2 O12 Zn2 -","- C52 H30 Li2 N2 O12 Zn2 -","- C208 H120 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","","0.79272","synchrotron","","0.0499","0.0432","","","0.1262","0.1304","","","","","","1.067","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518558","19.203","0.004","16.959","0.002","18.49","0.003","90","","120.276","0.01","90","","5200.2","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Li2 N2 O12 Zn2 -","- C54 H34 Li2 N2 O12 Zn2 -","- C216 H136 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","","0.79313","synchrotron","","0.0646","0.0541","","","0.153","0.1596","","","","","","1.078","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518559","18.9053","0.0003","17.21449","0.00018","18.3643","0.0003","90","","119.705","0.002","90","","5191.18","0.17","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H31 Li2 N2 O12 Zn2 -","- C50 H29 Li2 N2 O12 Zn2 -","- C200 H116 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","x-ray","0.71073","MoKα","","0.0449","0.0417","","","0.1382","0.1403","","","","","","1.085","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518560","17.514","0.0011","18.5021","0.0009","17.138","0.001","90","","114.783","0.007","90","","5042","0.6","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H33 Li2 N3 O13 Zn2 -","- C46 H24 Li2 N2 O12 Zn2 -","- C184 H96 Li8 N8 O48 Zn8 -","4","0.5","","Sapianik, Aleksandr A.; Dudko, Evgeny R.; Kovalenko, Konstantin A.; Barsukova, Marina O.; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P.","Metal-Organic Frameworks for Highly Selective Separation of Xylene Isomers and Single-Crystal X-ray Study of Aromatic Guest-Host Inclusion Compounds.","ACS applied materials & interfaces","2021","13","12","14768","14777","10.1021/acsami.1c02812","","x-ray","0.71073","MoKα","","0.0751","0.065","","","0.1973","0.2056","","","","","","1.082","","","","has coordinates,has disorder","263575","2021-04-04","09:56:47",""
"4518561","10.5311","0.0003","12.1035","0.0003","14.8941","0.0004","90","","100.65","0.003","90","","1865.75","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H61 Al N2 O3 -","- C38 H61 Al N2 O3 -","- C76 H122 Al2 N4 O6 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0551","0.0432","","","0.0932","0.1056","","","","","","1.034","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518562","14.2817","0.0003","19.6139","0.0002","16.3139","0.0003","90","","112.131","0.002","90","","4233.16","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H124 Al2 N4 O6 -","- C87 H124 Al2 N4 O6 -","- C174 H248 Al4 N8 O12 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0631","0.0555","","","0.1442","0.1582","","","","","","1.036","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518563","14.7009","0.0005","19.8009","0.0006","15.5738","0.0006","90","","112.532","0.004","90","","4187.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83.25 H120.5 Al2 Cl2.5 N4 O6 -","- C82 H118 Al2 N4 O6 -","- C164 H236 Al4 N8 O12 -","2","0.5","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","0.71073","MoKα","","0.1134","0.0864","","","0.2313","0.2563","","","","","","1.03","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518564","11.7864","0.0009","12.0598","0.0008","16.8359","0.0012","90","","105.394","0.002","90","","2307.2","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 N3 Ni P -","- C22 H30 Cl2 N3 Ni P -","- C88 H120 Cl8 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0487","0.0379","","","0.1621","0.2046","","","","","","1.091","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518565","8.853","0.002","16.369","0.004","18.452","0.004","105.791","0.008","100.542","0.009","105.669","0.008","2380.6","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H32 Cl0 N3 Ni O P -","- C25 H32 N3 Ni O P -","- C100 H128 N12 Ni4 O4 P4 -","4","2","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0929","0.0471","","","0.1175","0.1405","","","","","","1.099","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518566","16.1382","0.0015","8.1442","0.0008","16.0627","0.0018","90","","118.179","0.003","90","","1860.9","0.3","120","2","119.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl N3 Ni P -","- C18 H25 Cl N3 Ni P -","- C72 H100 Cl4 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0576","0.0407","","","0.0903","0.0959","","","","","","1.078","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518567","14.2865","0.0015","11.363","0.0013","14.9046","0.0016","90","","109.571","0.004","90","","2279.8","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl2 N3 Ni O P -","- C21 H30 Cl2 N3 Ni O P -","- C84 H120 Cl8 N12 Ni4 O4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0405","0.0378","","","0.0958","0.0981","","","","","","1.09","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518568","12.1286","0.0008","12.4385","0.0008","13.4746","0.0009","90","","95.4","0.003","90","","2023.8","0.2","136","2","136","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N3 Ni P -","- C18 H26 Cl2 N3 Ni P -","- C72 H104 Cl8 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0447","0.0357","","","0.1462","0.1615","","","","","","1.028","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518569","32.0854","0.0018","16.6338","0.0007","18.7396","0.0011","90","","106.521","0.002","90","","9588.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(3,5-dimethylpyrazole-1-carbonyl)hydrazine + ethanol-toluene solvents","","- C12 H16 N6 O2 -","- C12 H16 N6 O2 -","- C288 H384 N144 O48 -","24","3","","Glukhacheva, Vera S.; Il’yasov, Sergey G.; Kazantsev, Igor V.; Shestakova, Elena O.; Il’yasov, Dmitri S.; Eltsov, Ilia V.; Nefedov, Andrey A.; Gatilov, Yuri V.","New Reaction Products of Acetylacetone with Semicarbazide Derivatives","ACS Omega","2021","6","12","8637","8645","10.1021/acsomega.1c00518","","","0.71073","MoKα","","0.1097","0.0701","","","0.2211","0.2908","","","","","","1.093","","","","has coordinates","263587","2021-04-04","09:59:28",""
"4518570","8.0272","0.0006","10.3866","0.0008","21.6398","0.0015","90","","95.314","0.003","90","","1796.5","0.2","295","2","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O6 V2 Zn -","- C14 H14 N4 O6 V2 Zn -","- C56 H56 N16 O24 V8 Zn4 -","4","1","","Tian, Hongrui; Liu, Shumei; Zhang, Zhong; Dang, Tianyi; Lu, Ying; Liu, Shuxia","Highly Stable Polyoxovanadate-Based Zn‒MOF with Dual Active Sites as a Solvent-free Catalyst for C‒C Bond Formation","ACS Sustainable Chemistry & Engineering","2021","9","12","4660","4667","10.1021/acssuschemeng.1c00389","","","0.71073","MoKα","","0.0595","0.0351","","","0.0705","0.0793","","","","","","1.061","","","","has coordinates","263590","2021-04-04","10:00:02",""
"4518571","5.836","0.0007","10.2615","0.0016","21.051","0.003","82.853","0.013","85.165","0.012","89.89","0.012","1246.4","0.3","291.51","0.1","291.51","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C54 H60 N8 O6 -","2","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.1103","0.0723","","","0.173","0.1947","","","","","","1.101","","","","has coordinates,has disorder","263583","2021-04-04","09:58:19",""
"4518572","31.7124","0.0014","6.29804","0.00019","22.6491","0.0005","90","","93.248","0.003","90","","4516.3","0.3","285.3","0.4","285.3","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C200 H216 N24 O24 -","8","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.065","0.0555","","","0.1483","0.1555","","","","","","1.034","","","","has coordinates","263583","2021-04-04","09:58:19",""
"4518573","6.407","0.0005","11.0997","0.0012","31.594","0.004","90","","91.726","0.008","90","","2245.8","0.4","287","1","287","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.1099","0.0693","","","0.1752","0.2085","","","","","","1.088","","","","has coordinates","263583","2021-04-04","09:58:19",""
"4518574","7.5864","0.0004","12.9878","0.0007","21.6163","0.0012","90","","90","","90","","2129.9","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N4 O Ru S -","- C18 H24 Cl2 N4 O Ru S -","- C72 H96 Cl8 N16 O4 Ru4 S4 -","4","1","","Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh","Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity","ACS Omega","2021","6","12","8226","8238","10.1021/acsomega.0c06265","","","0.71073","MoKα","","0.0485","0.0452","","","0.1148","0.1175","","","","","","1.035","","","","has coordinates","263588","2021-04-04","09:59:35",""
"4518575","22.8691","0.0011","11.8858","0.0004","19.9571","0.001","90","","115.033","0.006","90","","4915.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C192 H192 Cl8 N24 O8 Ru8 -","- C192 H192 Cl8 N24 O8 Ru8 -","- C192 H192 Cl8 N24 O8 Ru8 -","1","0.25","","Ghosh, Rahul; Jana, Narayan Ch.; Panda, Surajit; Bagh, Bidraha","Transfer Hydrogenation of Aldehydes and Ketones in Air with Methanol and Ethanol by an Air-Stable Ruthenium‒Triazole Complex","ACS Sustainable Chemistry & Engineering","2021","","","","","10.1021/acssuschemeng.1c00633","","x-ray","0.71073","MoKα","","0.0469","0.0406","","","0.1091","0.1123","","","","","","1.072","","","","has coordinates","263218","2021-03-22","22:57:55",""
"4518576","7.131","0.0017","6.7157","0.0011","45.99","0.017","90","0.017","92.6","0.02","90","0.02","2200.2","1","150","2","150","2","","","","","","","synthesis as described","3","I 1 2/a 1","-I 2ya","15","PBNA","(2Z,2'Z)-3,3'-(1,4-phenylene)bis(2-(naphthalen-2-yl)acrylonitrile)","","- C16 H10 N -","- C16 H10 N -","- C128 H80 N8 -","8","1","","Liu, Liqun; Cai, Chang; Zhang, Zejian; Zhang, Shitong; Deng, Jian; Yang, Bing; Gu, Cheng; Ma, Yuguang","Lamellar Organic Light-Emitting Crystals Exhibiting Spectral Gain and 3.6% External Quantum Efficiency in Transistors","ACS Materials Letters","2021","","","428","432","10.1021/acsmaterialslett.1c00056","","x-ray","1.54178","CuKα","","0.1519","0.1195","","","0.3048","0.3421","","","","","","1.091","","","","has coordinates","263260","2021-03-23","22:42:33",""
"4518577","11.3831","0.0005","21.3979","0.0009","15.0936","0.0007","90","","106.685","0.0012","90","","3521.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 F9 Ir N5 O2 -","- C38 H29 F9 Ir N5 O2 -","- C152 H116 F36 Ir4 N20 O8 -","4","1","","Tai, Wun-Shan; Gnanasekaran, Premkumar; Chen, Yi-Yang; Hung, Wen-Yi; Zhou, Xiuwen; Chou, Tai-Che; Lee, Gene-Hsiang; Chou, Pi-Tai; You, Caifa; Chi, Yun","Rational Tuning of Bis-Tridentate Ir(III) Phosphors to Deep-Blue with High Efficiency and Sub-microsecond Lifetime","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c00238","","","0.71073","MoKα","","0.0447","0.0315","","","0.066","0.0733","","","","","","1.05","","","","has coordinates,has disorder","263293","2021-03-24","22:15:21",""
"4518578","18.3902","0.0005","20.8304","0.0005","15.3854","0.0004","90","","111.912","0.0006","90","","5468","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H57 F9 Ir N7 O4 -","- C56 H57 F9 Ir N7 O4 -","- C224 H228 F36 Ir4 N28 O16 -","4","0.5","","Tai, Wun-Shan; Gnanasekaran, Premkumar; Chen, Yi-Yang; Hung, Wen-Yi; Zhou, Xiuwen; Chou, Tai-Che; Lee, Gene-Hsiang; Chou, Pi-Tai; You, Caifa; Chi, Yun","Rational Tuning of Bis-Tridentate Ir(III) Phosphors to Deep-Blue with High Efficiency and Sub-microsecond Lifetime","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c00238","","","0.71073","MoKα","","0.03","0.0259","","","0.0666","0.0698","","","","","","1.092","","","","has coordinates,has disorder","263294","2021-03-24","22:15:46",""
"4518579","9.059","0.0003","11.001","0.0004","17.385","0.0006","95.258","0.003","100.869","0.003","92.228","0.003","1691.52","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 Fe N7 O6 -","- C38 H26 Fe N7 O6 -","- C76 H52 Fe2 N14 O12 -","2","1","","Wang, Kuaibing; Wang, Saier; Liu, Jiadi; Guo, Yuxuan; Mao, Feifei; Wu, Hua; Zhang, Qichun","Fe-Based Coordination Polymers as Battery-Type Electrodes in Semi-Solid-State Battery-Supercapacitor Hybrid Devices.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c01339","","x-ray","0.71069","MoKα","","0.0508","0.038","","","0.1017","0.1101","","","","","","1.04","","","","has coordinates","263325","2021-03-25","22:15:13",""
"4518580","8.674","0.0003","11.896","0.0004","16.939","0.0006","90.744","0.003","103.308","0.003","94.865","0.003","1693.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Fe N7 O7 -","- C38 H28 Fe N7 O7 -","- C76 H56 Fe2 N14 O14 -","2","1","","Wang, Kuaibing; Wang, Saier; Liu, Jiadi; Guo, Yuxuan; Mao, Feifei; Wu, Hua; Zhang, Qichun","Fe-Based Coordination Polymers as Battery-Type Electrodes in Semi-Solid-State Battery-Supercapacitor Hybrid Devices.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c01339","","x-ray","0.71069","MoKα","","0.0649","0.0424","","","0.1089","0.1182","","","","","","1.03","","","","has coordinates","263325","2021-03-25","22:15:14",""
"4518581","8.7423","0.0003","16.0218","0.0005","11.8664","0.0004","90","","103.672","0.001","90","","1615","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 F N O2 S -","- C19 H18 F N O2 S -","- C76 H72 F4 N4 O8 S4 -","4","1","","Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min","Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent","ACS Catalysis","2021","","","4372","4380","10.1021/acscatal.1c00240","","","0.71073","MoKα","","0.0483","0.0417","","","0.106","0.1119","","","","","","1.032","","","","has coordinates","263326","2021-03-25","22:26:48",""
"4518582","7.4865","0.0002","7.4865","0.0002","59.274","0.0019","90","","90","","90","","3322.17","0.16","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C21 H21 N O -","- C21 H21 N O -","- C168 H168 N8 O8 -","8","1","","Zhang, Xiao-Yu; Wu, Xiao-Yun; Zhang, Bo; Wei, Yin; Shi, Min","Silyl Radical-Mediated Carbocyclization of Acrylamide-/Vinyl Sulfonamide-Attached Alkylidenecyclopropanes via Photoredox Catalysis with a Catalytic Amount of Silane Reagent","ACS Catalysis","2021","","","4372","4380","10.1021/acscatal.1c00240","","","0.71073","MoKα","","0.0786","0.0684","","","0.175","0.1823","","","","","","1.098","","","","has coordinates","263327","2021-03-25","22:27:16",""
"4518583","8.9744","0.0003","11.0999","0.0003","11.1627","0.0003","79.842","0.001","84.411","0.001","80.144","0.001","1075.8","0.05","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N2 Ni4 O23.5 -","- C28 H29 N2 Ni4 O23.5 -","- C28 H29 N2 Ni4 O23.5 -","1","0.5","","Li, Shi-Fen; Wang, Quan; Li, Ye-Ping; Geng, Xiao; Zhao, LiJia; He, Mei; Du, Lin; Zhao, Qi-Hua","Different Phenomena in Magnetic/Electrical Properties of Co(II) and Ni(II) Isomorphous MOFs","ACS Omega","2021","","","","","10.1021/acsomega.1c00574","","","0.71073","MoKα","","0.0401","0.0335","","","0.0809","0.0853","","","","","","1.004","","","","has coordinates,has disorder","263370","2021-03-26","22:33:59",""
"4518584","8.8528","0.0002","11.1412","0.0003","11.3379","0.0003","78.961","0.001","83.955","0.001","81.296","0.001","1081.57","0.05","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 Co4 N3 O26 -","- C31 H39 Co4 N3 O26 -","- C31 H39 Co4 N3 O26 -","1","0.5","","Li, Shi-Fen; Wang, Quan; Li, Ye-Ping; Geng, Xiao; Zhao, LiJia; He, Mei; Du, Lin; Zhao, Qi-Hua","Different Phenomena in Magnetic/Electrical Properties of Co(II) and Ni(II) Isomorphous MOFs","ACS Omega","2021","","","","","10.1021/acsomega.1c00574","","","0.71073","MoKα","","0.0483","0.0393","","","0.0988","0.1052","","","","","","1.046","","","","has coordinates,has disorder","263371","2021-03-26","22:34:17",""
"4518585","10.3118","0.0002","6.4245","0.0001","11.7079","0.0002","90","","105.643","0.002","90","","746.9","0.02","104","6","104","6","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13.99 H21.99 O5 -","- C14 H22 O5 -","- C28 H44 O10 -","2","1","","Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis","ACS Omega","2021","","","","","10.1021/acsomega.0c06218","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0921","0.0927","","","","","","1.086","","","","has coordinates,has disorder","263372","2021-03-26","22:34:41",""
"4518586","11.8599","0.0001","24.2844","0.0003","29.9249","0.0003","90","","89.639","0.001","90","","8618.52","0.16","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H76.36 N8 O12 Zn2 -","- C48 H75.0787 N8 O12 Zn2 -","- C288 H450.472 N48 O72 Zn12 -","6","3","","Guo, Cui; Wang, Pei; Pang, Xiaoyan; Lin, Xiuping; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Discovery of a Dimeric Zinc Complex and Five Cyclopentenone Derivatives from the Sponge-Associated Fungus Aspergillus ochraceopetaliformis","ACS Omega","2021","","","","","10.1021/acsomega.0c06218","","x-ray","1.54184","CuKα","","0.083","0.0777","","","0.2125","0.2168","","","","","","1.044","","","","has coordinates,has disorder","263373","2021-03-26","22:35:19",""
"4518587","12.3397","0.0016","15.543","0.002","34.356","0.005","90","","90.699","0.002","90","","6588.9","1.5","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H154 Fe4 N2 O40 Ti8 -","- C102 H154 Fe4 N2 O40 Ti8 -","- C204 H308 Fe8 N4 O80 Ti16 -","2","0.5","","Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian","Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction","ACS Catalysis","2021","","","4510","4519","10.1021/acscatal.0c04495","","","0.71073","MoKα","","0.0888","0.0543","","","0.1454","0.1635","","","","","","1.009","","","","has coordinates","263418","2021-03-29","21:25:11",""
"4518588","31.653","0.006","14.083","0.003","20.207","0.004","90","","94.632","0.003","90","","8978","3","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H116 Fe2 O32 S2 Ti6 -","- C66 H116 Fe2 O32 S2 Ti6 -","- C264 H464 Fe8 O128 S8 Ti24 -","4","0.5","","Liu, Jing-Jing; Li, Ning; Sun, Jia-Wei; Liu, Jiang; Dong, Long-Zhang; Yao, Su-Juan; Zhang, Lei; Xin, Zhi-Feng; Shi, Jing-Wen; Wang, Jing-Xuan; Li, Shun-Li; Lan, Ya-Qian","Ferrocene-Functionalized Polyoxo-Titanium Cluster for CO2 Photoreduction","ACS Catalysis","2021","","","4510","4519","10.1021/acscatal.0c04495","","","0.71073","MoKα","","0.0672","0.047","","","0.1331","0.1525","","","","","","1.051","","","","has coordinates","263419","2021-03-29","21:25:38",""
"4518589","5.0288","0.0002","35.8475","0.0013","25.5419","0.0009","90","","91.426","0.004","90","","4603","0.3","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H37 N3 O6 -","- C58 H37 N3 O6 -","- C232 H148 N12 O24 -","4","1","","Gupta, Abhishek Kumar; Li, Wenbo; Ruseckas, Arvydas; Lian, Cheng; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Samuel, Ifor D. W.; Zysman-Colman, Eli","Thermally Activated Delayed Fluorescence Emitters with Intramolecular Proton Transfer for High Luminance Solution-Processed Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c02248","","x-ray","0.71073","MoKα","","0.0941","0.0681","","","0.1743","0.186","","","","","","1.05","","","","has coordinates","263452","2021-03-30","21:14:06",""
"4518590","7.9582","0.0011","9.7232","0.0013","11.9573","0.0015","69.282","0.005","78.205","0.005","74.208","0.005","826.72","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 F N O2 -","- C8 H10 F N O2 -","- C32 H40 F4 N4 O8 -","4","2","","Cotman, Andrej Emanuel; Guérin, Thomas; Kovačević, Ivana; Benedetto Tiz, Davide; Durcik, Martina; Fulgheri, Federica; Možina, Štefan; Secci, Daniela; Sterle, Maša; Ilaš, Janez; Zega, Anamarija; Zidar, Nace; Mašič, Lucija Peterlin; Tomašič, Tihomir; Leroux, Frédéric R.; Hanquet, Gilles; Kikelj, Danijel","Practical Synthesis and Application of Halogen-Doped Pyrrole Building Blocks","ACS Omega","2021","","","","","10.1021/acsomega.1c00331","","","0.71073","MoKα","","0.087","0.0733","","","0.2098","0.2221","","","","","","1.091","","","","has coordinates","263453","2021-03-30","21:34:34",""
"4518591","12.3507","0.0005","13.6579","0.0006","12.1808","0.0005","90","","90.577","0.002","90","","2054.61","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C80 H104 N8 O32 -","8","2","","Cotman, Andrej Emanuel; Guérin, Thomas; Kovačević, Ivana; Benedetto Tiz, Davide; Durcik, Martina; Fulgheri, Federica; Možina, Štefan; Secci, Daniela; Sterle, Maša; Ilaš, Janez; Zega, Anamarija; Zidar, Nace; Mašič, Lucija Peterlin; Tomašič, Tihomir; Leroux, Frédéric R.; Hanquet, Gilles; Kikelj, Danijel","Practical Synthesis and Application of Halogen-Doped Pyrrole Building Blocks","ACS Omega","2021","","","","","10.1021/acsomega.1c00331","","","0.71073","MoKα","","0.0549","0.0509","","","0.1414","0.1441","","","","","","1.12","","","","has coordinates","263454","2021-03-30","21:34:57",""
"4518592","13.359","0.003","49.113","0.012","51.861","0.012","90","","90","","90","","34026","14","183","2","183","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C46 H37 N0 O8 -","- C46 H37 O8 -","- C736 H592 O128 -","16","0.5","","Wang, Jia-Xin; Gu, Xiao-Wen; Lin, Yu-Xin; Li, Bin; Qian, Guodong","A Novel Hydrogen-Bonded Organic Framework with Highly Permanent Porosity for Boosting Ethane/Ethylene Separation","ACS Materials Letters","2021","","","497","503","10.1021/acsmaterialslett.1c00013","","","1.54178","CuKα","","0.1047","0.082","","","0.2056","0.2215","","","","","","1.125","","","","has coordinates","263456","2021-03-30","21:49:03",""
"4518593","33.407","0.013","33.407","0.013","33.407","0.013","90","","90","","90","","37283","3","","","300","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C20 I2 O5.333 Zr -","- C20 I2 O5.33333 Zr -","- C480 I48 O128 Zr24 -","24","0.125","","Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J.","Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal‒Organic Frameworks","ACS Materials Letters","2021","","","504","510","10.1021/acsmaterialslett.1c00077","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.03459","","0.08977","","1.499","","","","","","","has coordinates","263492","2021-03-31","21:50:07",""
"4518594","32.872","0.004","32.872","0.004","32.872","0.004","90","","90","","90","","35520","7","","","300","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C20 F4 O5.333 Zr -","- C20 F4 O5.33333 Zr -","- C480 F96 O128 Zr24 -","24","0.125","","Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J.","Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal‒Organic Frameworks","ACS Materials Letters","2021","","","504","510","10.1021/acsmaterialslett.1c00077","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.04711","","0.99463","","2.325","","","","","","","has coordinates","263493","2021-03-31","21:50:51",""
"4518595","33.946","0.016","33.946","0.016","33.946","0.016","90","","90","","90","","39117","3","","","300","","","","100","","","","","3","F m -3 m","-F 4 2 3","225","","","","- C22 O5.333 Zr -","- C22 O5.33333 Zr -","- C528 O128 Zr24 -","24","0.125","","Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J.","Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal‒Organic Frameworks","ACS Materials Letters","2021","","","504","510","10.1021/acsmaterialslett.1c00077","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.03764","","0.05302","","2.001","","","","","","","has coordinates","263494","2021-03-31","21:51:34",""
"4518596","33.261931","","33.261931","","33.261931","","90","","90","","90","","36799.5","","","","300","","","","100","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C26 O5.333 Si2 Zr -","- C26 O5.33333 Si2 Zr -","- C624 O128 Si48 Zr24 -","24","0.125","","Fairchild, David C.; Hossain, Mohammad I.; Cordova, Jesus; Glover, T. Grant; Uribe-Romo, Fernando J.","Steric and Electronic Effects on the Interaction of Xe and Kr with Functionalized Zirconia Metal‒Organic Frameworks","ACS Materials Letters","2021","","","504","510","10.1021/acsmaterialslett.1c00077","powder diffraction","x-ray","1.5405","Kα~1,2~","","","","","","0.10735","","0.22037","","5.744","","","","","","","has coordinates","263495","2021-03-31","21:52:22",""
"4518597","8.8213","0.0004","10.1609","0.0004","11.288","0.0004","104.489","0.003","103.879","0.004","91.518","0.003","946.96","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N3 Ni O2 -","- C24 H19 N3 Ni O2 -","- C48 H38 N6 Ni2 O4 -","2","1","","Nohira, Itsuki; Chatani, Naoto","Nickel-Catalyzed Cross-Electrophile Coupling between C(sp2)‒F and C(sp2)‒Cl Bonds by the Reaction of ortho-Fluoro-Aromatic Amides with Aryl Chlorides","ACS Catalysis","2021","11","8","4644","4649","10.1021/acscatal.1c01102","","","1.54184","CuKα","","0.0513","0.048","","","0.1334","0.137","","","","","","1.085","","","","has coordinates","264815","2021-05-04","00:47:53",""
"4518598","6.961","0.003","12.032","0.005","16.96","0.006","90","","90","","90","","1420.5","1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.0731","0.0496","","","0.1302","0.155","","","","","","1.106","","","","has coordinates","263558","2021-04-03","19:52:30",""
"4518599","10.5656","0.0009","14.7742","0.0015","7.8958","0.0008","90","","94.428","0.004","90","","1228.8","0.2","148","2","148","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.2058","0.0972","","","0.1862","0.2366","","","","","","0.893","","","","has coordinates","263559","2021-04-03","19:52:53",""
"4518600","9.3825","0.001","9.86","0.0011","13.868","0.0012","90","","90","","90","","1282.9","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N3 O2 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.128","0.0639","","","0.0961","0.11","","","","","","1.073","","","","has coordinates","263561","2021-04-03","19:53:20",""
"4518601","11.006","0.002","14.517","0.003","16.17","0.003","67.282","0.005","77.986","0.006","89.059","0.006","2325","0.8","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H70 N6 O2 Ti -","- C48 H70 N6 O2 Ti -","- C96 H140 N12 O4 Ti2 -","2","1","","Manßen, Manfred; Deng, Danfeng; Zheng, Cameron H. M.; DiPucchio, Rebecca C.; Chen, Dafa; Schafer, Laurel L.","Ureate Titanium Catalysts for Hydroaminoalkylation: Using Ligand Design to Increase Reactivity and Utility","ACS Catalysis","2021","","","4550","4560","10.1021/acscatal.1c00014","","","0.71073","MoKα","","0.0544","0.0413","","","0.0993","0.1061","","","","","","1.019","","","","has coordinates","263562","2021-04-03","19:53:57",""
"4518602","11.3688","0.0009","15.8213","0.0004","22.0726","0.0009","90","","90","","90","","3970.2","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N6 O -","- C44 H56 N6 O -","- C176 H224 N24 O4 -","4","1","","Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H.","Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis","ACS Catalysis","2021","11","8","4670","4681","10.1021/acscatal.0c05656","","","1.54184","CuKα","","0.1088","0.0874","","","0.2313","0.2539","","","","","","1.017","","","","has coordinates,has disorder","264816","2021-05-04","00:48:03",""
"4518603","17.5926","0.0004","8.7826","0.0002","20.6542","0.0005","90","","90","","90","","3191.26","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 I4 N2 Sn -","- C7 H12 I4 N2 Sn -","- C56 H96 I32 N16 Sn8 -","8","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0806","0.0442","","","0.0901","0.1067","","","","","","1.042","","","","has coordinates,has disorder","263868","2021-04-05","21:53:31",""
"4518604","12.3596","0.0006","26.0329","0.0014","28.918","0.0016","90","","91.828","0.002","90","","9299.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H11 I4 N3 Sn -","- C5 H11 I4 N3 Sn -","- C120 H264 I96 N72 Sn24 -","24","6","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.076","0.0512","","","0.1207","0.1396","","","","","","1.03","","","","has coordinates,has disorder","263869","2021-04-05","21:53:55",""
"4518605","12.4594","0.0004","19.6278","0.0007","12.469","0.0006","90","","96.2023","0.0016","90","","3031.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 I4 N3 Sn -","- C5 H11 I4 N3 Sn -","- C40 H88 I32 N24 Sn8 -","8","2","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0817","0.0476","","","0.0739","0.0867","","","","","","1.015","","","","has coordinates,has disorder","263870","2021-04-05","21:54:14",""
"4518606","6.3456","0.0006","12.4593","0.0011","19.8832","0.0019","90","","93.2113","0.0019","90","","1569.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 I4 N2 Sn -","- C7 H12 I4 N2 Sn -","- C28 H48 I16 N8 Sn4 -","4","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0799","0.0518","","","0.1183","0.1369","","","","","","1.056","","","","has coordinates","263871","2021-04-05","21:54:33",""
"4518607","18.8316","0.0008","13.0705","0.0009","12.4137","0.0007","90","","90","","90","","3055.5","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C10 H21 I8 N6 Sn2 -","- C10 H21 I8 N6 Sn2 -","- C40 H84 I32 N24 Sn8 -","4","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0996","0.0579","","","0.0848","0.1009","","","","","","0.982","","","","has coordinates","263872","2021-04-05","21:54:54",""
"4518608","6.2823","0.0003","12.4595","0.0005","20.1704","0.0008","90","","95.176","0.002","90","","1572.39","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 I4 N2 Sn -","- C7 H12 I4 N2 Sn -","- C28 H48 I16 N8 Sn4 -","4","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.078","0.0516","","","0.1159","0.1322","","","","","","1.051","","","","has coordinates","263873","2021-04-05","21:55:14",""
"4518609","10.672","0.002","12.356","0.002","12.71","0.003","90","","110.951","0.01","90","","1565.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 I4 N3 Pb -","- C5 H11 I4 N3 Pb -","- C20 H44 I16 N12 Pb4 -","4","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.1194","0.0759","","","0.1373","0.1565","","","","","","1.033","","","","has coordinates","263874","2021-04-05","21:55:33",""
"4518610","17.9119","0.0004","8.6987","0.0002","20.3708","0.0005","90","","90","","90","","3173.98","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H12 I4 N2 Sn -","- C7 H12 I4 N2 Sn -","- C56 H96 I32 N16 Sn8 -","8","1","","Febriansyah, Benny; Lekina, Yulia; Kaur, Jagjit; Hooper, Thomas J. N.; Harikesh, Padinhare Cholakkal; Salim, Teddy; Lim, Ming Hui; Koh, Teck Ming; Chakraborty, Sudip; Shen, Ze Xiang; Mathews, Nripan; England, Jason","Formation of Corrugated n = 1 2D Tin Iodide Perovskites and Their Use as Lead-Free Solar Absorbers","ACS Nano","2021","","","","","10.1021/acsnano.0c08204","","","0.71073","MoKα","","0.0484","0.0351","","","0.0755","0.083","","","","","","1.053","","","","has coordinates","263875","2021-04-05","21:55:56",""
"4518611","12.2212","0.0004","5.7554","0.0002","12.4922","0.0005","90","","115.284","0.004","90","","794.5","0.06","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C36 H36 O8 S2 -","2","1","","Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui","Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity","ACS Catalysis","2021","","","5287","5293","10.1021/acscatal.1c00225","","x-ray","1.54184","CuKα","","0.0536","0.053","","","0.1493","0.1503","","","","","","1.049","","","","has coordinates","264276","2021-04-17","21:18:03",""
"4518612","12.4647","0.0009","5.1138","0.0004","23.6809","0.0016","90","","101.514","0.007","90","","1479.09","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br O4 S -","- C14 H15 Br O4 S -","- C56 H60 Br4 O16 S4 -","4","2","","Liu, Yuexin; Jiao, Yang; Luo, Huajun; Huang, Nianyu; Lai, Mengnan; Zou, Kun; Yao, Hui","Catalyst-Controlled Regiodivergent Synthesis of 1- and 3-Thiosugars with High Stereoselectivity and Chemoselectivity","ACS Catalysis","2021","","","5287","5293","10.1021/acscatal.1c00225","","x-ray","1.54184","CuKα","","0.0834","0.0799","","","0.2512","0.253","","","","","","1.045","","","","has coordinates","264277","2021-04-17","21:18:26",""
"4518613","44.1023","0.0014","11.9357","0.0004","37.7488","0.001","90","","107.621","0.002","90","","18938.3","1","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91 H45 B F48 N3 Ni O -","- C91 H45 B F48 N3 Ni O -","- C728 H360 B8 F384 N24 Ni8 O8 -","8","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.1151","0.0703","","","0.1823","0.2087","","","","","","1.026","","","","has coordinates,has disorder","264314","2021-04-19","21:22:45",""
"4518614","12.2781","0.0005","22.6085","0.001","18.0159","0.0007","90","","106.372","0.003","90","","4798.2","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 N2 Ni O -","- C59 H60 N2 Ni O -","- C236 H240 N8 Ni4 O4 -","4","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.0822","0.0522","","","0.1279","0.145","","","","","","1.026","","","","has coordinates,has disorder","264315","2021-04-19","21:23:13",""
"4518615","13.606","","13.645","","17.543","","88.69","","69.98","","65.61","","2760.17","","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H31 F24 N2 Ni O -","- C56 H30.703 F24 N2 Ni O -","- C112 H61.406 F48 N4 Ni2 O2 -","2","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.0779","0.0595","","","0.1657","0.1818","","","","","","1.069","","","","has coordinates,has disorder","264316","2021-04-19","21:23:45",""
"4518616","16.7822","0.0005","18.2187","0.0006","18.2294","0.0005","109.732","0.002","101.015","0.002","110.139","0.002","4618.2","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C91 H72 B F24 N2 Ni O -","- C91 H73 B F24 N2 Ni O -","- C182 H146 B2 F48 N4 Ni2 O2 -","2","1","","Schiebel, Eva; Voccia, Maria; Falivene, Laura; Caporaso, Lucia; Mecking, Stefan","The Impact of Charge in a Ni(II) Polymerization Catalyst","ACS Catalysis","2021","","","5358","5368","10.1021/acscatal.1c00778","","","0.71073","MoKα","","0.07","0.0597","","","0.1528","0.1607","","","","","","1.015","","","","has coordinates,has disorder","264317","2021-04-19","21:24:35",""
"4518617","10.597","0.0003","11.754","0.0002","18.0639","0.0005","76.8308","0.0019","89","0.002","85.8243","0.0019","2185","0.1","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C47 H68 Fe N6 -","- C42 H56 Fe N6 -","- C84 H112 Fe2 N12 -","2","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","0.71073","MoKα","K-L~2,3~","0.0771","0.0501","","","0.1114","0.1239","","","","","","1.034","","","","has coordinates,has disorder","264481","2021-04-23","21:27:35",""
"4518618","26.4101","0.0005","26.4101","0.0005","10.6187","0.0002","90","","90","","120","","6414.2","0.2","120","1","120","1","","","","","","","","6","P 61","P 61","169","","","","- C40 H58 Cl2 Fe N4 O -","- C40 H58 Cl2 Fe N4 O -","- C240 H348 Cl12 Fe6 N24 O6 -","6","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.1329","0.0575","","","0.1202","0.1487","","","","","","0.984","","","","has coordinates","264482","2021-04-23","21:28:07",""
"4518619","13.8259","0.0003","10.7782","0.0002","27.1348","0.0005","90","","93.3137","0.0016","90","","4036.82","0.14","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Fe N4 -","- C48 H62 Fe N4 -","- C192 H248 Fe4 N16 -","4","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","0.71073","MoKα","K-L~2,3~","0.1062","0.0588","","","0.1184","0.1375","","","","","","1.019","","","","has coordinates","264483","2021-04-23","21:28:38",""
"4518620","13.71615","0.00014","20.52625","0.00018","17.35612","0.00018","90","","110.785","0.0012","90","","4568.43","0.09","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.77 H51.54 Cl5.54 Fe N4 -","- C44.769 H51.538 Cl5.538 Fe N4 -","- C179.076 H206.152 Cl22.152 Fe4 N16 -","4","1","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.0629","0.0554","","","0.1488","0.1548","","","","","","1.041","","","","has coordinates,has disorder","264484","2021-04-23","21:29:09",""
"4518621","14.3281","0.0006","15.1547","0.0005","15.3273","0.0004","89.69","0.002","83.236","0.003","73.71","0.003","3171","0.2","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C132 H204 Fe2 N12 Na2 O4 -","- C122 H180 Fe2 N12 Na2 O4 -","- C122 H180 Fe2 N12 Na2 O4 -","1","0.5","","Doll, Julianna S.; Eichelmann, Robert; Hertwig, Leif E.; Bender, Thilo; Kohler, Vincenz J.; Bill, Eckhard; Wadepohl, Hubert; Roşca, Dragoş-Adrian","Iron-Catalyzed Trimerization of Terminal Alkynes Enabled by Pyrimidinediimine Ligands: A Regioselective Method for the Synthesis of 1,3,5-Substituted Arenes","ACS Catalysis","2021","","","5593","5600","10.1021/acscatal.1c00978","","x-ray","1.54184","CuKα","K-L~2,3~","0.1015","0.0627","","","0.1646","0.1889","","","","","","1.03","","","","has coordinates,has disorder","264485","2021-04-23","21:29:44",""
"4518622","9.1137","0.0009","10.222","0.001","12.2985","0.0012","70.989","0.002","70.567","0.002","71.163","0.002","991.53","0.17","100","2","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O3 Pd -","- C22 H22 N2 O3 Pd -","- C44 H44 N4 O6 Pd2 -","2","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0171","0.0162","","","0.0422","0.0427","","","","","","1.063","","","","has coordinates","264486","2021-04-23","21:31:17",""
"4518623","11.0488","0.0007","12.4133","0.0008","15.6581","0.001","99.623","0.002","106.45","0.002","105.981","0.002","1908.8","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 O5 P2 Pd -","- C44 H40 O5 P2 Pd -","- C88 H80 O10 P4 Pd2 -","2","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0931","0.0541","","","0.0983","0.1133","","","","","","1.065","","","","has coordinates","264486","2021-04-23","21:31:17",""
"4518624","24.7326","0.0018","13.201","0.0008","23.4604","0.0017","90","","111.779","0.002","90","","7113","0.9","100","2","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H35 Cl O4 P2 Pd -","- C43.5 H35 Cl O4 P2 Pd -","- C348 H280 Cl8 O32 P16 Pd8 -","8","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0643","0.0384","","","0.0752","0.083","","","","","","1.019","","","","has coordinates","264486","2021-04-23","21:31:17",""
"4518625","26.339","0.012","8.38","0.004","17.649","0.009","90","","124.36","0.02","90","","3216","3","273","2","273.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H30 Fe O3 P2 Pd -","- C38 H30 Fe O3 P2 Pd -","- C152 H120 Fe4 O12 P8 Pd4 -","4","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.1594","0.1147","","","0.1435","0.1548","","","","","","1.271","","","","has coordinates","264486","2021-04-23","21:31:18",""
"4518626","18.282","0.004","18.506","0.004","20.018","0.004","90","","90","","90","","6773","2","273","2","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H50 O3 P Pd -","- C37 H51 O3 P Pd -","- C296 H408 O24 P8 Pd8 -","8","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0624","0.0415","","","0.0946","0.1104","","","","","","1.118","","","","has coordinates,has disorder","264486","2021-04-23","21:31:18",""
"4518627","12.848","0.002","18.223","0.003","16.659","0.003","90","","99.686","0.004","90","","3844.8","1.1","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H46.5 Cl2 N4 O3.5 P Pd -","- C39.5 H46.5 Cl2 N4 O3.5 P Pd -","- C158 H186 Cl8 N16 O14 P4 Pd4 -","4","1","","Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.","DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis","ACS Catalysis","2021","","","5636","5646","10.1021/acscatal.1c00288","","","0.71073","MoKα","","0.0525","0.0393","","","0.0975","0.1046","","","","","","1.033","","","","has coordinates,has disorder","264486","2021-04-23","21:31:18",""
"4518628","21.9999","0.0005","20.5062","0.0007","10.552","0.0005","90","","90","","90","","4760.4","0.3","293","2","293","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H17 N4 O S -","- C28 H17 N4 O S -","- C224 H136 N32 O8 S8 -","8","1","","Liu, Luqi; Wang, Xian; Wang, Li-Juan; Guo, Lianqin; Li, Yanbin; Bai, Bing; Fu, Fan; Lu, Hongguang; Zhao, Xiaowei","One-for-All Phototheranostic Agent Based on Aggregation-Induced Emission Characteristics for Multimodal Imaging-Guided Synergistic Photodynamic/Photothermal Cancer Therapy","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c02260","","x-ray","1.54184","CuKα","","0.0836","0.0606","","","0.1905","0.2153","","","","","","1.051","","","","has coordinates","264513","2021-04-25","21:14:18",""
"4518629","12.0421","0.0002","19.8448","0.0003","31.8609","0.0005","90","","91.057","0.002","90","","7612.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H40 N2 O4 -","- C50 H40 N2 O4 -","- C400 H320 N16 O32 -","8","2","","Lin, Yeo-Sin; Abate, Seid Yimer; Wang, Chun-I; Wen, Yuh-Sheng; Chen, Chih-I; Hsu, Chao-Ping; Chueh, Chu-Chen; Tao, Yu-Tai; Sun, Shih-Sheng","Low-Cost Hole-Transporting Materials Based on Carbohelicene for High-Performance Perovskite Solar Cells","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c02004","","","0.71073","MoKα","","0.0909","0.053","","","0.1129","0.1341","","","","","","1.013","","","","has coordinates,has disorder","264554","2021-04-26","21:14:21",""
"4518630","18.71438","0.0001","7.11566","0.00005","17.68547","0.00011","90","","98.0756","0.0005","90","","2331.73","0.03","296.86","0.1","296.86","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 O2 Si -","- C29 H26 O2 Si -","- C116 H104 O8 Si4 -","4","1","","Zhu, Ming-Hui; Zhang, Xiao-Wen; Usman, Muhammad; Cong, Hengjiang; Liu, Wen-Bo","Palladium-Catalyzed (4 + 4) Annulation of Silacyclobutanes and 2-Iodobiarenes to Eight-Membered Silacycles via C‒H and C‒Si Bond Activation","ACS Catalysis","2021","","","5703","5708","10.1021/acscatal.1c00975","","x-ray","1.54184","CuKα","","0.0372","0.0358","","","0.1023","0.1036","","","","","","1.058","","","","has coordinates","264556","2021-04-26","21:25:28",""
"4518631","10.0942","0.0005","10.0942","0.0005","15.88","0.001","90","","90","","90","","1618.06","0.15","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Br0.67 Cs I Mn0.33 -","- Br0.666667 Cs I Mn0.333333 -","- Br8 Cs12 I12 Mn4 -","12","0.375","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.0251","0.0227","","","0.0511","0.052","","","","","","1.097","","","","has coordinates","264592","2021-04-27","21:39:48",""
"4518632","9.6044","0.0006","9.6044","0.0006","15.5668","0.0013","90","","90","","90","","1435.95","0.17","297","2","297","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Br5 Cs3 Mn -","- Br5 Cs3 Mn -","- Br20 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","1.34138","GaKα","","0.0404","0.0401","","","0.1046","0.1048","","","","","","1.029","","","","has coordinates","264593","2021-04-27","21:40:15",""
"4518633","9.1751","0.0003","9.1751","0.0003","14.8827","0.001","90","","90","","90","","1252.86","0.1","298","2","298","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Cl5 Cs3 Mn -","- Cl5 Cs3 Mn -","- Cl20 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.1199","0.1189","","","0.3027","0.3042","","","","","","1.255","","","","has coordinates","264595","2021-04-27","21:40:37",""
"4518634","14.4125","0.0004","14.4125","0.0004","15.2106","0.0007","90","","90","","90","","3159.55","0.19","296","2","296","2","","","","","","","","4","P 4 21 2","P 4ab 2ab","90","","","","- Cl2 Cs3 I3 Mn -","- Cl2 Cs3 I3 Mn -","- Cl16 Cs24 I24 Mn8 -","8","1","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.1546","0.1385","","","0.3953","0.4101","","","","","","1.067","","","","has coordinates,has disorder","264596","2021-04-27","21:41:00",""
"4518635","9.499","0.0005","9.499","0.0005","15.089","0.0013","90","","90","","90","","1361.5","0.16","293","2","293","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Br3 Cl2 Cs3 Mn -","- Br3 Cl2 Cs3 Mn -","- Br12 Cl8 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.0351","0.0275","","","0.0565","0.0588","","","","","","1.113","","","","has coordinates","264597","2021-04-27","21:41:23",""
"4518636","9.466","0.0011","9.466","0.0011","14.999","0.004","90","","90","","90","","1344","0.4","298","2","298","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Br2 Cl3 Cs3 Mn -","- Br2 Cl3 Cs3 Mn -","- Br8 Cl12 Cs12 Mn4 -","4","0.125","","Yan, Siyu; Tang, Kaixin; Lin, Yuejian; Ren, Yuanhang; Tian, Wanli; Chen, Hua; Lin, Tingting; Qiu, Longzhen; Pan, Xiaoyong; Wang, Weizhi","Light-Emitting Diodes with Manganese Halide Tetrahedron Embedded in Anti-Perovskites","ACS Energy Letters","2021","","","1901","1911","10.1021/acsenergylett.1c00250","","","0.71073","MoKα","","0.0278","0.0267","","","0.0671","0.0677","","","","","","1.181","","","","has coordinates","264598","2021-04-27","21:41:47",""
"4518637","10.3954","0.0001","15.042","0.0002","16.9395","0.0003","90","","90","","90","","2648.79","0.06","100","0.1","100","0.1","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C120 H160 O32 -","8","1","","Alwaseem, Hanan; Giovani, Simone; Crotti, Michele; Welle, Kevin; Jordan, Craig T.; Ghaemmaghami, Sina; Fasan, Rudi","Comprehensive Structure‒Activity Profiling of Micheliolide and its Targeted Proteome in Leukemia Cells via Probe-Guided Late-Stage C‒H Functionalization","ACS Central Science","2021","","","","","10.1021/acscentsci.0c01624","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.0784","0.079","","","","","","1.073","","","","has coordinates,has disorder","264699","2021-04-29","21:30:22",""
"4518638","12.4157","0.0006","13.2373","0.0007","13.6566","0.0007","90","","100.293","0.001","90","","2208.35","0.19","90","","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Ag3 Br2 Fe N7 -","- C17 H12 Ag3 Br2 Fe N7 -","- C68 H48 Ag12 Br8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0323","0.0303","","","0.0647","0.0652","","","","","","1.436","","","","has coordinates,has disorder","264700","2021-04-29","21:34:57",""
"4518639","12.7439","0.0007","13.6462","0.0008","14.0322","0.0008","90","","101.116","0.001","90","","2394.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 Ag3 Br2 Fe N7 -","- C17 H12 Ag3 Br2 Fe N7 -","- C68 H48 Ag12 Br8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0557","0.0447","","","0.1913","0.1965","","","","","","1.412","","","","has coordinates,has disorder","264701","2021-04-29","21:35:15",""
"4518640","12.467","0.0014","13.3156","0.0015","13.6789","0.0015","90","","100.331","0.002","90","","2234","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br4 Fe N7 -","- C15 H6 Ag3 Br4 Fe N7 -","- C60 H24 Ag12 Br16 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0325","0.0261","","","0.0591","0.0611","","","","","","1.039","","","","has coordinates","264702","2021-04-29","21:35:38",""
"4518641","12.806","0.011","13.584","0.011","13.973","0.011","90","","100.781","0.014","90","","2388","3","275","2","275","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br4 Fe N7 -","- C15 H6 Ag3 Br4 Fe N7 -","- C60 H24 Ag12 Br16 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0357","0.0272","","","0.0651","0.0679","","","","","","1.026","","","","has coordinates","264703","2021-04-29","21:35:55",""
"4518642","12.4285","0.0011","13.1096","0.0011","13.663","0.0012","90","","100.204","0.001","90","","2190.9","0.3","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C60 H24 Ag12 Br8 Cl8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0381","0.0272","","","0.0496","0.052","","","","","","1.063","","","","has coordinates","264704","2021-04-29","21:36:19",""
"4518643","12.7896","0.0011","13.5068","0.0011","13.9946","0.0012","90","","100.922","0.0015","90","","2373.7","0.3","275","2","275","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C15 H6 Ag3 Br2 Cl2 Fe N7 -","- C60 H24 Ag12 Br8 Cl8 Fe4 N28 -","4","0.5","","Kosone, Takashi; Okuda, Syogo; Kawata, Masaya; Arai, Shunsuke; Kosuge, Ryota; Kawasaki, Takeshi","A New Systematic Construction of Novel Three-Dimensional Spin Crossover Coordination Polymers Based on the [AgI2(CN)3] Building Unit","ACS Omega","2021","","","","","10.1021/acsomega.1c00892","","","0.71073","MoKα","","0.0444","0.0337","","","0.1112","0.1219","","","","","","0.841","","","","has coordinates","264705","2021-04-29","21:36:36",""
"4518644","25.1664","0.0007","17.0909","0.0006","22.9344","0.0007","90","","91.506","0.003","90","","9861.1","0.5","122.99","0.1","122.99","0.1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C180 H192 Ag Cu16 P12 S8 -","- C180 H192 Ag Cu16 P12 S8 -","- C360 H384 Ag2 Cu32 P24 S16 -","2","0.5","","Han, Bao-Liang; Wang, Zhi; Gupta, Rakesh Kumar; Feng, Lei; Wang, Suna; Kurmoo, Mohamedally; Gao, Zhi-Yong; Schein, Stan; Tung, Chen-Ho; Sun, Di","Precise Implantation of an Archimedean Ag@Cu<sub>12</sub> Cuboctahedron into a Platonic Cu<sub>4</sub>Bis(diphenylphosphino)hexane<sub>6</sub> Tetrahedron.","ACS nano","2021","","","","","10.1021/acsnano.1c00942","","x-ray","0.71073","MoKα","","0.0738","0.0537","","","0.1309","0.1404","","","","","","1.021","","","","has coordinates","264707","2021-04-29","21:55:05",""
"4518645","33.212","0.0003","33.212","0.0003","33.212","0.0003","90","","90","","90","","36634.1","0.6","123","0.1","123","0.1","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C180 H184 Ag Cu16 F6 P13 S8 -","- C180 H184 Ag Cu16 F6 P13 S8 -","- C1440 H1472 Ag8 Cu128 F48 P104 S64 -","8","0.0833333","","Han, Bao-Liang; Wang, Zhi; Gupta, Rakesh Kumar; Feng, Lei; Wang, Suna; Kurmoo, Mohamedally; Gao, Zhi-Yong; Schein, Stan; Tung, Chen-Ho; Sun, Di","Precise Implantation of an Archimedean Ag@Cu<sub>12</sub> Cuboctahedron into a Platonic Cu<sub>4</sub>Bis(diphenylphosphino)hexane<sub>6</sub> Tetrahedron.","ACS nano","2021","","","","","10.1021/acsnano.1c00942","","x-ray","1.54184","CuKα","","0.0759","0.069","","","0.2244","0.2351","","","","","","1.13","","","","has coordinates,has disorder","264707","2021-04-29","21:55:06",""
"4518646","8.1074","0.0004","5.0807","0.0002","10.7183","0.0005","90","","98.981","0.002","90","","436.09","0.03","170","","170","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H2 N5 O6 Rb -","- C4 H2 N5 O6 Rb -","- C8 H4 N10 O12 Rb2 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0297","0.0269","","","0.0582","0.06","","","","","","1.081","","","","has coordinates","264729","2021-04-30","21:26:44",""
"4518647","5.7421","0.0005","6.0539","0.0005","15.413","0.0011","98.325","0.002","92.112","0.002","116.292","0.002","472.21","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H Ag N6 O8 -","- C4 H Ag N6 O8 -","- C8 H2 Ag2 N12 O16 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0469","0.0401","","","0.1029","0.1072","","","","","","1.061","","","","has coordinates,has disorder","264730","2021-04-30","21:27:08",""
"4518648","6.6459","0.0014","7.8446","0.0015","10.325","0.002","83.128","0.005","83.253","0.005","80.482","0.005","524.43","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H4 N6 O9 -","- C4 H4 N6 O9 -","- C8 H8 N12 O18 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.212","0.0935","","","0.2013","0.2339","","","","","","1.084","","","","has coordinates,has disorder","264731","2021-04-30","21:27:30",""
"4518649","33.332","0.002","10.0131","0.0007","24.7047","0.0014","90","","90","","90","","8245.4","0.9","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H8 Cs4 N20 O26 -","- C16 H8 Cs4 N20 O26 -","- C128 H64 Cs32 N160 O208 -","8","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0653","0.0427","","","0.102","0.1109","","","","","","1.066","","","","has coordinates,has disorder","264732","2021-04-30","21:27:59",""
"4518650","23.435","0.008","7.953","0.003","11.759","0.004","90","","114.942","0.009","90","","1987.2","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H3 K N12 O16 -","- C8 H3 K N12 O16 -","- C32 H12 K4 N48 O64 -","4","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0759","0.0456","","","0.1079","0.1224","","","","","","1.044","","","","has coordinates","264733","2021-04-30","21:28:31",""
"4518651","8.1507","0.0007","5.0435","0.0003","10.4445","0.0008","90","","99.428","0.003","90","","423.55","0.05","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C4 H2 K N5 O6 -","- C4 H2 K N5 O6 -","- C8 H4 K2 N10 O12 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Oxygen-Enriched Metal‒Organic Frameworks Based on 1-(Trinitromethyl)-1H-1,2,4-Triazole-3-Carboxylic Acid and Their Thermal Decomposition and Effects on the Decomposition of Ammonium Perchlorate","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c03110","","","0.71073","MoKα","","0.0284","0.026","","","0.0603","0.0612","","","","","","1.117","","","","has coordinates","264734","2021-04-30","21:29:21",""
"4518652","7.35482","0.00014","7.35482","","15.5119","0.0004","90","","90","","90","","839.09","0.03","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.2 Cu O10 Si4 Sr0.8 -","- Ca0.2 Cu O10 Si4 Sr0.8 -","- Ca0.8 Cu4 O40 Si16 Sr3.2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.27","","","","","","","has coordinates","264771","2021-05-03","18:49:47",""
"4518653","7.335","0.0007","7.335","","15.4083","0.0015","90","","90","","90","","829","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.4 Cu O10 Si4 Sr0.6 -","- Ca0.4 Cu O10 Si4 Sr0.6 -","- Ca1.6 Cu4 O40 Si16 Sr2.4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.24","","","","","","","has coordinates","264772","2021-05-03","18:50:10",""
"4518654","7.342","0.0007","7.342","","15.4547","0.0015","90","","90","","90","","833.09","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.3 Cu O10 Si4 Sr0.7 -","- Ca0.3 Cu O10 Si4 Sr0.7 -","- Ca1.2 Cu4 O40 Si16 Sr2.8 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.19","","","","","","","has coordinates","264773","2021-05-03","18:50:31",""
"4518655","7.3633","0.0007","7.3633","","15.5607","0.0014","90","","90","","90","","843.67","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.1 Cu O10 Si4 Sr0.9 -","- Ca0.1 Cu O10 Si4 Sr0.9 -","- Ca0.4 Cu4 O40 Si16 Sr3.6 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","264774","2021-05-03","18:50:58",""
"4518656","7.2986","0.0006","7.2986","","15.1269","0.0012","90","","90","","90","","805.8","0.09","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca Cu O10 Si4 -","- Ca Cu O10 Si4 -","- Ca4 Cu4 O40 Si16 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.17","","","","","","","has coordinates","264775","2021-05-03","18:51:19",""
"4518657","7.31379","0.00013","7.31379","","15.2284","0.0004","90","","90","","90","","814.59","0.03","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.8 Cu O10 Si4 Sr0.2 -","- Ca0.8 Cu O10 Si4 Sr0.2 -","- Ca3.2 Cu4 O40 Si16 Sr0.8 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.2","","","","","","","has coordinates","264776","2021-05-03","18:51:40",""
"4518658","7.4432","0.0009","7.4432","","16.1448","0.0019","90","","90","","90","","894.44","0.15","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Ba Cu O10 Si4 -","- Ba Cu O10 Si4 -","- Ba4 Cu4 O40 Si16 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.8","","","","","","","has coordinates","264777","2021-05-03","18:52:02",""
"4518659","7.3129","0.0007","7.3129","","15.2631","0.0015","90","","90","","90","","816.25","0.11","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.7 Cu O10 Si4 Sr0.3 -","- Ca0.7 Cu O10 Si4 Sr0.3 -","- Ca2.8 Cu4 O40 Si16 Sr1.2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.38","","","","","","","has coordinates","264778","2021-05-03","18:52:23",""
"4518660","7.3033","0.0005","7.3033","","15.1774","0.0011","90","","90","","90","","809.54","0.08","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.9 Cu O10 Si4 Sr0.1 -","- Ca0.9 Cu O10 Si4 Sr0.1 -","- Ca3.6 Cu4 O40 Si16 Sr0.4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","264779","2021-05-03","18:52:43",""
"4518661","7.3223","0.0008","7.3223","","15.32","0.0017","90","","90","","90","","821.4","0.13","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.6 Cu O10 Si4 Sr0.4 -","- Ca0.6 Cu O10 Si4 Sr0.4 -","- Ca2.4 Cu4 O40 Si16 Sr1.6 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.03","","","","","","","has coordinates","264780","2021-05-03","18:53:04",""
"4518662","7.32","0.0005","7.32","","15.3171","0.001","90","","90","","90","","820.73","0.08","298","","298","","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- Ca0.5 Cu O10 Si4 Sr0.5 -","- Ca0.5 Cu O10 Si4 Sr0.5 -","- Ca2 Cu4 O40 Si16 Sr2 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.04","","","","","","","has coordinates","264781","2021-05-03","18:53:25",""
"4518663","7.3703","0.0007","7.3703","","15.5999","0.0015","90","","90","","90","","847.41","0.11","298","","298","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- Cu O10 Si4 Sr -","- Cu O10 Si4 Sr -","- Cu4 O40 Si16 Sr4 -","4","0.25","","Qin, Jincheng; Liu, Zhifu; Ma, Mingsheng; Liu, Feng; Qi, Ze-Ming; Li, Yongxiang","Structure and Microwave Dielectric Properties of Gillespite-Type ACuSi<sub>4</sub>O<sub>10</sub> (A = Ca, Sr, Ba) Ceramics and Quantitative Prediction of the <i>Q</i> ×<i>f</i> Value via Machine Learning.","ACS applied materials & interfaces","2021","13","15","17817","17826","10.1021/acsami.1c01909","powder diffraction","","","","","","","","","","","","","1.5","","","","","","","has coordinates","264782","2021-05-03","18:53:45",""
"4518664","13.4192","0.0002","25.996","0.0004","18.4476","0.0002","90","","101.882","0.001","90","","6297.48","0.15","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H36 B Cl2 F24 P -","- C58 H32 B F24 P -","- C232 H128 B4 F96 P4 -","4","1","","Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L.","Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis","ACS Catalysis","2021","","","5452","5462","10.1021/acscatal.1c01133","","x-ray","1.54184","CuKα","","0.081","0.067","","","0.1944","0.2087","","","","","","1.047","","","","has coordinates,has disorder","264783","2021-05-03","19:19:06",""
"4518665","10.5938","0.0002","15.2705","0.0002","16.8486","0.0002","90","","95.456","0.001","90","","2713.29","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F3 O5 P S -","- C29 H24 F3 O5 P S -","- C116 H96 F12 O20 P4 S4 -","4","1","","Gasperini, Danila; Neale, Samuel E.; Mahon, Mary F.; Macgregor, Stuart A.; Webster, Ruth L.","Phosphirenium Ions as Masked Phosphenium Catalysts: Mechanistic Evaluation and Application in Synthesis","ACS Catalysis","2021","","","5452","5462","10.1021/acscatal.1c01133","","x-ray","1.54184","CuKα","","0.0426","0.0354","","","0.0869","0.0914","","","","","","1.028","","","","has coordinates","264783","2021-05-03","19:19:07",""
"4518666","8.374","0.003","10.255","0.004","12.556","0.005","82.813","0.012","70.937","0.011","72.094","0.015","969.4","0.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C46 H58 N2 O4 -","2","1","","Gockel, Samuel N.; Lee, SangHyun; Gay, Brittany L.; Hull, Kami L.","Oxidative Three-Component Carboamination of Vinylarenes with Alkylboronic Acids","ACS Catalysis","2021","","","5166","5171","10.1021/acscatal.1c00105","","","0.71073","MoKα","","0.1088","0.0526","","","0.1057","0.1222","","","","","","1.034","","","","has coordinates","264784","2021-05-03","19:19:57",""
"4518667","6.0333","0.0003","29.8691","0.0015","9.4917","0.0005","90","","101.456","0.002","90","","1676.41","0.15","153.15","","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br N O -","- C22 H18 Br N O -","- C88 H72 Br4 N4 O4 -","4","1","","Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei","Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles","ACS Catalysis","2021","","","4929","4935","10.1021/acscatal.1c01052","","","1.54178","CuKα","","0.0734","0.0731","","","0.157","0.1571","","","","","","1.22","","","","has coordinates","264785","2021-05-03","19:20:20",""
"4518668","9.7726","0.0009","12.1642","0.0011","16.4042","0.0015","94.461","0.003","102.259","0.004","105.75","0.003","1814.9","0.3","153","","153","","","","","","","","","5","P 1","P 1","1","","","","- C24 H16.5 Br N O1.25 -","- C24 H16.5 Br N O1.25 -","- C96 H66 Br4 N4 O5 -","4","4","","Kong, Lingheng; Han, Xi; Chen, Haohua; Sun, Huaming; Lan, Yu; Li, Xingwei","Rhodium(II)-Catalyzed Regioselective Remote C‒H Alkylation of Protic Indoles","ACS Catalysis","2021","","","4929","4935","10.1021/acscatal.1c01052","","","1.54178","CuKα","","0.0884","0.0766","","","0.2335","0.241","","","","","","1.04","","","","has coordinates","264786","2021-05-03","19:20:43",""
"4518669","12.2356","0.0005","11.8474","0.0004","13.7752","0.0005","90","","109.204","0.004","90","","1885.74","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 Si -","- C21 H23 N3 Si -","- C84 H92 N12 Si4 -","4","1","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.0463","0.0448","","","0.1165","0.1178","","","","","","1.082","","","","has coordinates","264787","2021-05-03","19:21:46",""
"4518670","8.4772","0.0003","23.1025","0.0008","9.866","0.0003","90","","109.061","0.004","90","","1826.26","0.11","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N3 Si -","- C19 H27 N3 Si -","- C76 H108 N12 Si4 -","4","1","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.097","0.0822","","","0.2248","0.2675","","","","","","1.098","","","","has coordinates","264788","2021-05-03","19:22:19",""
"4518671","8.5057","0.0004","10.2435","0.0006","10.405","0.0002","95.532","0.003","92.916","0.003","111.087","0.005","838.34","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 Si -","- C16 H21 N3 Si -","- C32 H42 N6 Si2 -","2","1","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.0749","0.0697","","","0.1927","0.1987","","","","","","1.06","","","","has coordinates","264789","2021-05-03","19:22:41",""
"4518672","11.1967","0.0004","22.1378","0.0005","24.3143","0.0005","76.519","0.0019","88.79","0.002","86.768","0.002","5851.2","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Cl Ir N3 -","- C21 H24.5 Cl Ir N3 -","- C252 H294 Cl12 Ir12 N36 -","12","6","","Khake, Shrikant M.; Yamazaki, Ken; Ano, Yusuke; Chatani, Naoto","Iridium(III)-Catalyzed Branch-Selective C‒H Alkenylation of Aniline Derivatives with Alkenes","ACS Catalysis","2021","","","5463","5471","10.1021/acscatal.1c00714","","","1.54184","CuKα","","0.1391","0.1148","","","0.3017","0.3475","","","","","","1.116","","","","has coordinates","264790","2021-05-03","19:23:24",""
"4518673","9.8814","0.0011","18.093","0.002","15.1203","0.0017","90","","105.261","0.002","90","","2607.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 O14 P2 Ru -","- C22 H24 N4 O14 P2 Ru -","- C88 H96 N16 O56 P8 Ru4 -","4","1","","Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni","Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions","ACS Catalysis","2021","","","5240","5247","10.1021/acscatal.0c05363","","","0.71073","MoKα","","0.0381","0.0317","","","0.069","0.0724","","","","","","1.111","","","","has coordinates","264791","2021-05-03","19:24:06",""
"4518674","11.5083","0.001","8.8372","0.0008","27.547","0.003","90","","101.328","0.004","90","","2747","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N4 O7 P Ru -","- C26 H31 N4 O7 P Ru -","- C104 H124 N16 O28 P4 Ru4 -","4","1","","Vereshchuk, Nataliia; Holub, Jan; Gil-Sepulcre, Marcos; Benet-Buchholz, Jordi; Llobet, Antoni","Fate of the Molecular Ru‒Phosphonate Water Oxidation Catalyst under Turnover Conditions","ACS Catalysis","2021","","","5240","5247","10.1021/acscatal.0c05363","","","0.71073","MoKα","","0.09","0.0527","","","0.1228","0.1397","","","","","","1.055","","","","has coordinates,has disorder","264791","2021-05-03","19:24:16",""
"4518675","13.737","0.003","14.478","0.003","22.319","0.005","79.86","0.03","77.01","0.03","76.01","0.03","4162.1","1.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C208 H232 N8 O8 -","8","4","","Yin, Ge; Li, Yue; Wang, Rong-Hua; Li, Jiang-Fei; Xu, Xue-Tao; Luan, Yu-Xin; Ye, Mengchun","Ligand-Controlled Ni(0)‒Al(III) Bimetal-Catalyzed C3‒H Alkenylation of 2-Pyridones by Reversing Conventional Selectivity","ACS Catalysis","2021","11","8","4606","4612","10.1021/acscatal.1c00750","","","0.71073","MoKα","","0.0999","0.0717","","","0.1892","0.2149","","","","","","1.097","","","","has coordinates","264792","2021-05-03","19:25:15",""
"4518676","8.38863","0.00008","11.45356","0.0001","24.7725","0.0002","90","","90","","90","","2380.13","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 F3 N O4 Si -","- C22 H28 F3 N O4 Si -","- C88 H112 F12 N4 O16 Si4 -","4","1","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0329","0.0311","","","0.078","0.0797","","","","","","0.972","","","","has coordinates","264793","2021-05-03","19:25:39",""
"4518677","11.3628","0.0001","14.9417","0.0001","32.8659","0.0003","90","","90","","90","","5579.96","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Br N O4 Si -","- C26 H38 Br N O4 Si -","- C208 H304 Br8 N8 O32 Si8 -","8","2","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0297","0.0285","","","0.0717","0.0726","","","","","","1.007","","","","has coordinates","264794","2021-05-03","19:26:06",""
"4518678","14.5798","0.0005","9.6574","0.0003","15.0886","0.0005","90","","115.724","0.001","90","","1913.97","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl F N -","- C22 H23 Cl F N -","- C88 H92 Cl4 F4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","0.71073","MoKα","","0.0394","0.0342","","","0.088","0.0932","","","","","","1.037","","","","has coordinates","264795","2021-05-03","19:26:29",""
"4518679","6.4598","0.0002","13.9948","0.0003","21.6147","0.0005","90","","90","","90","","1954.05","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl N -","- C22 H24 Cl N -","- C88 H96 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0352","0.0336","","","0.0873","0.0886","","","","","","1.06","","","","has coordinates","264796","2021-05-03","19:26:53",""
"4518680","19.1956","0.0005","5.6975","0.0002","16.7242","0.0004","90","","114.44","0.0011","90","","1665.19","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N -","- C21 H20 Cl N -","- C84 H80 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0396","0.035","","","0.0875","0.091","","","","","","1.051","","","","has coordinates","264797","2021-05-03","19:27:16",""
"4518681","6.1774","0.0018","22.134","0.007","11.445","0.004","90","","99.446","0.004","90","","1543.7","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N Nd O8 -","- C12 H14 N Nd O8 -","- C48 H56 N4 Nd4 O32 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0266","0.025","","","0.0654","0.0666","","","","","","0.603","","","","has coordinates","264798","2021-05-03","19:56:11",""
"4518682","5.9855","0.0007","22.116","0.003","6.1152","0.0007","90","","110.656","0.002","90","","757.46","0.16","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Gd N O8 -","- C12 H14 Gd N O8 -","- C24 H28 Gd2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0691","0.0506","","","0.1167","0.135","","","","","","1.01","","","","has coordinates","264799","2021-05-03","19:56:36",""
"4518683","6.1775","0.0004","22.1665","0.0013","11.4573","0.0008","90","","99.435","0.001","90","","1547.67","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Sm -","- C12 H14 N O8 Sm -","- C48 H56 N4 O32 Sm4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0403","0.0386","","","0.1201","0.1209","","","","","","1.113","","","","has coordinates","264800","2021-05-03","19:56:59",""
"4518684","6.2123","0.0008","22.161","0.003","11.4967","0.0015","90","","99.387","0.002","90","","1561.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N O8 Pr -","- C12 H14 N O8 Pr -","- C48 H56 N4 O32 Pr4 -","4","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.046","0.0445","","","0.1201","0.1216","","","","","","0.741","","","","has coordinates","264801","2021-05-03","19:57:23",""
"4518685","5.9823","0.0008","22.145","0.003","6.1201","0.0008","90","","110.649","0.001","90","","758.69","0.18","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Eu N O8 -","- C12 H14 Eu N O8 -","- C24 H28 Eu2 N2 O16 -","2","1","","Liu, Ming-li; Shi, Quan; Liu, Lei-fang; Li, Wen-bo","Lanthanide-Aromatic Iminodiacetate Frameworks with Helical Tubes: Structure, Properties, and Low-Temperature Heat Capacity","ACS Omega","2021","6","15","10475","10485","10.1021/acsomega.1c01052","","","0.71073","MoKα","","0.0454","0.0379","","","0.0955","0.1075","","","","","","1.024","","","","has coordinates","264802","2021-05-03","19:57:47",""
"4518686","8.7359","0.0004","13.6139","0.0008","13.9957","0.0008","111.821","0.005","100.122","0.004","103.297","0.005","1439.58","0.16","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H20 Au F5 N4 S -","- C35 H20 Au F5 N4 S -","- C70 H40 Au2 F10 N8 S2 -","2","1","","Zou, Hang; Zhang, Jing; Wu, Changmeng; He, Benzhao; Hu, Yubing; Sung, Herman H. Y.; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Zheng, Lei; Tang, Ben Zhong","Making Aggregation-Induced Emission Luminogen More Valuable by Gold: Enhancing Anticancer Efficacy by Suppressing Thioredoxin Reductase Activity","ACS Nano","2021","","","","","10.1021/acsnano.1c02882","","","1.54184","CuKα","","0.04","0.035","","","0.0836","0.0862","","","","","","0.994","","","","has coordinates","264805","2021-05-03","21:52:30",""
"4518687","9.0685","0.0002","21.2193","0.0001","14.4387","0.0005","90","","125.301","0.002","90","","2267.53","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Cu I2 N -","- C16 H36 Cu I2 N -","- C64 H144 Cu4 I8 N4 -","4","1","","Lian, Linyuan; Zhang, Peng; Liang, Guijie; Wang, Song; Wang, Xi; Wang, Ya; Zhang, Xiuwen; Gao, Jianbo; Zhang, Daoli; Gao, Liang; Song, Haisheng; Chen, Rong; Lan, Xinzheng; Liang, Wenxi; Niu, Guangda; Tang, Jiang; Zhang, Jianbing","Efficient Dual-Band White-Light Emission with High Color Rendering from Zero-Dimensional Organic Copper Iodide.","ACS applied materials & interfaces","2021","13","19","22749","22756","10.1021/acsami.1c03881","","","1.54178","CuKα","","0.0449","0.0431","","","0.1223","0.1238","","","","","","1.044","","","","has coordinates","265744","2021-06-04","00:56:31",""
"4518688","5.9557","0.0009","10.9058","0.0017","24.74","0.004","90","","90","","90","","1606.9","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,4aS,7aR)-2-(3-bromophenyl)-4,4,7,7- tetramethylhexahydrocyclopenta[d][1,3]dioxine","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C68 H92 Br4 O8 -","4","1","","Ishihara, Hideyuki; Huang, Jianhao; Mochizuki, Takuya; Hatano, Manabu; Ishihara, Kazuaki","Enantio- and Diastereoselective Carbonyl-Ene Cyclization‒Acetalization Tandem Reaction Catalyzed by Tris(pentafluorophenyl)borane-Assisted Chiral Phosphoric Acids","ACS Catalysis","2021","11","10","6121","6127","10.1021/acscatal.1c01242","","","0.71075","MoKα","","0.0372","0.0305","","","0.0637","0.0646","","","","","","0.954","","","","has coordinates","265748","2021-06-04","00:57:49",""
"4518689","8.7531","0.0005","38.961","0.002","9.6515","0.0005","90","","112.175","0.002","90","","3048","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 B F2 N3 O S -","- C37 H36 B F2 N3 O S -","- C148 H144 B4 F8 N12 O4 S4 -","4","1","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34138","GaKα","","0.0646","0.0556","","","0.151","0.1597","","","","","","1.073","","","","has coordinates","264988","2021-05-06","21:55:36",""
"4518690","36.544","0.003","19.7923","0.0015","10.9076","0.0007","90","","105.654","0.003","90","","7596.7","1","140","2","140","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H44 B F2 N3 O S -","- C41 H44 B F2 N3 O S -","- C328 H352 B8 F16 N24 O8 S8 -","8","1","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34138","GaKα","","0.07","0.0551","","","0.16","0.1712","","","","","","1.062","","","","has coordinates,has disorder","264989","2021-05-06","21:56:06",""
"4518691","15.7206","0.0008","10.5473","0.0005","20.3876","0.001","90","","108.924","0.002","90","","3197.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 B F2 N3 O3 S -","- C37 H36 B F2 N3 O3 S -","- C148 H144 B4 F8 N12 O12 S4 -","4","1","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34139","GaKα","","0.0428","0.0389","","","0.1152","0.1224","","","","","","1.051","","","","has coordinates","264990","2021-05-06","21:56:32",""
"4518692","10.7612","0.0005","11.7802","0.0006","15.3173","0.0007","96.507","0.002","108.637","0.002","99.482","0.002","1785.96","0.15","143","2","143","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H32 B F2 N3 O3 S3 -","- C41 H32 B F2 N3 O3 S3 -","- C82 H64 B2 F4 N6 O6 S6 -","2","1","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34138","GaKα","","0.0536","0.0518","","","0.1469","0.1488","","","","","","1.031","","","","has coordinates","264991","2021-05-06","21:56:56",""
"4518693","24.34","0.002","11.3359","0.0008","12.757","0.0012","90","","102.276","0.004","90","","3439.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 B F2 N3 O S3 -","- C41 H32 B F2 N3 O S3 -","- C164 H128 B4 F8 N12 O4 S12 -","4","1","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34138","GaKα","","0.0471","0.041","","","0.1123","0.1174","","","","","","1.039","","","","has coordinates","264992","2021-05-06","21:57:22",""
"4518694","9.832","0.0016","8.4802","0.0011","18.522","0.003","90","","96.039","0.006","90","","1535.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O S -","- C18 H19 N O S -","- C72 H76 N4 O4 S4 -","4","1","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34138","GaKα","","0.0364","0.0324","","","0.085","0.0883","","","","","","1.049","","","","has coordinates","264993","2021-05-06","21:57:45",""
"4518695","15.0382","0.0004","18.0089","0.0006","27.7549","0.0009","90","","95.728","0.001","90","","7479.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B F2 N3 O3 S -","- C41 H44 B F2 N3 O3 S -","- C328 H352 B8 F16 N24 O24 S8 -","8","2","","Liu, Yawei; Li, Yanzhong; Wen, Yue; Su, Xianlong; Xu, Ming; Feng, Wei; Liu, Qian; Li, Fuyou","Significantly Enhanced Afterglow Brightness via Intramolecular Energy Transfer","ACS Materials Letters","2021","","","713","720","10.1021/acsmaterialslett.1c00183","","","1.34138","GaKα","","0.0697","0.0574","","","0.1681","0.1814","","","","","","1.023","","","","has coordinates","264994","2021-05-06","21:58:12",""
"4518696","37.1792","0.0017","23.4037","0.0012","7.155","0.0002","90","","90","","90","","6225.8","0.5","293","2","293","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C16 H10 In2 O14 -","- C16 H10 In2 O14 -","- C128 H80 In16 O112 -","8","0.5","","Lei, Jiao; Wang, Bingqiang; Li, Yong-Peng; Ji, Wen-Juan; Wang, Ke; Qi, Honglan; Chou, Pi-Tai; Zhang, Miao-Miao; Bian, Hongtao; Zhai, Quan-Guo","A New Molecular Recognition Concept: Multiple Hydrogen Bonds and Their Optically Triggered Proton Transfer in Confined Metal-Organic Frameworks for Superior Sensing Element.","ACS applied materials & interfaces","2021","13","19","22457","22465","10.1021/acsami.1c03410","","","1.54178","CuKα","","0.0403","0.0344","","","0.0781","0.0798","","","","","","1.052","","","","has coordinates","265743","2021-06-04","00:56:21",""
"4518697","9.14307","0.00019","11.5592","0.0003","19.6135","0.0004","90","","90","","90","","2072.88","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 F3 N3 O4 -","- C20 H22 F3 N3 O4 -","- C80 H88 F12 N12 O16 -","4","1","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0312","0.0295","","","0.071","0.0723","","","","","","1.047","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518698","17.3627","0.0004","7.45954","0.00017","20.2256","0.0005","90","","92.932","0.002","90","","2616.15","0.11","100","0.12","100","0.12","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Cl F6 N5 O0.5 S -","- C24 H25 Cl F6 N5 O0.5 S -","- C96 H100 Cl4 F24 N20 O2 S4 -","4","2","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0631","0.0591","","","0.1607","0.1681","","","","","","1.019","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518699","7.7081","0.0004","15.6681","0.0007","7.7483","0.0004","90","","113.824","0.002","90","","856.04","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O6 Zn -","- C7 H7 N O6 Zn -","- C28 H28 N4 O24 Zn4 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0374","0.0264","","","0.0538","0.0567","","","","","","1.08","","","","has coordinates","265749","2021-06-04","00:58:13",""
"4518700","7.8597","0.0005","15.9234","0.001","8.0981","0.0005","90","","114.849","0.002","90","","919.67","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.0249","0.0208","","","0.0462","0.0477","","","","","","1.078","","","","has coordinates","265749","2021-06-04","00:58:14",""
"4518701","21.7641","0.0013","17.4903","0.001","9.3685","0.0005","90","","90","","90","","3566.2","0.4","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C56 H48 Cu4 K4 N12 O32 -","- C56 H44 Cu4 K4 N12 O32 -","- C112 H88 Cu8 K8 N24 O64 -","2","0.25","","Pandey, Rampal; Singh, Durgesh; Thakur, Neha; Raj, Krishna K.","Catalytic C-H Bond Activation and Knoevenagel Condensation Using Pyridine-2,3-Dicarboxylate-Based Metal-Organic Frameworks.","ACS omega","2021","6","20","13240","13259","10.1021/acsomega.1c01155","","","0.71073","MoKα","","0.1638","0.1104","","","0.2224","0.2423","","","","","","1.173","","","","has coordinates,has disorder","265749","2021-06-04","00:58:14",""
"4518702","18.9644","0.0014","21.3587","0.0016","24.0976","0.0014","102.656","0.005","106.031","0.006","114.606","0.007","7881.4","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H132 N8 O16 -","- C108 H132 N8 O16 -","- C216 H264 N16 O32 -","2","1","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.2397","0.1522","","","0.394","0.4761","","","","","","1.071","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518703","20.4736","0.0002","22.3662","0.0003","30.2829","0.0003","90","","93.322","0.001","90","","13843.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C132 H156 N12 O24 -","- C132 H148 N12 O25 -","- C528 H592 N48 O100 -","4","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1766","0.1585","","","0.4472","0.4793","","","","","","2.2","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518704","15.3502","0.001","15.3692","0.0007","16.3714","0.001","70.07","0.005","87.677","0.005","63.77","0.006","3229.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C150 H190 N8 O18 -","- C150 H190 N8 O18 -","- C150 H190 N8 O18 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1371","0.0891","","","0.2864","0.3139","","","","","","1.092","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518705","13.9505","0.0004","14.4066","0.0005","17.9329","0.0005","87.868","0.003","81.167","0.003","70.56","0.003","3357.99","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H145 Cl3 N8 O16 -","- C117 H145 Cl3 N8 O16 -","- C117 H145 Cl3 N8 O16 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1343","0.1052","","","0.3244","0.3555","","","","","","1.351","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518706","17.2006","0.0005","19.4445","0.0007","21.6853","0.0005","86.642","0.002","74.203","0.002","81.661","0.003","6903.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H185 N8 O16 -","- C156 H193 N8 O16 -","- C312 H386 N16 O32 -","2","1","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.0955","0.0672","","","0.1851","0.2242","","","","","","0.717","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518707","18.7447","0.0003","16.0246","0.0002","21.76","0.0003","90","","99.098","0.001","90","","6453.96","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C140 H176 N8 O16 -","- C140 H174 N8 O16 -","- C280 H348 N16 O32 -","2","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.0954","0.0713","","","0.2445","0.2812","","","","","","1.133","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518708","14.1691","0.0007","14.2947","0.0005","19.3506","0.001","104.038","0.004","101.711","0.004","111.164","0.004","3358","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H152 Cl12 N8 O16 -","- C144 H152 Cl12 N8 O16 -","- C144 H152 Cl12 N8 O16 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1271","0.0871","","","0.2357","0.2654","","","","","","1.038","","","","has coordinates,has disorder","265745","2021-06-04","00:57:01",""
"4518709","14.1928","0.0005","14.8249","0.0005","17.5646","0.0007","97.157","0.003","106.347","0.003","101.21","0.003","3415","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H140 Cl4 N8 O16 -","- C120 H140 Cl4 N8 O16 -","- C120 H140 Cl4 N8 O16 -","1","0.5","","Wang, Wenjing; Su, Kongzhao; El-Sayed, El-Sayed M; Yang, Miao; Yuan, Daqiang","Solvatomorphism Influence of Porous Organic Cage on C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> Separation.","ACS applied materials & interfaces","2021","13","20","24042","24050","10.1021/acsami.1c04573","","","1.54184","CuKα","","0.1271","0.1127","","","0.3747","0.4044","","","","","","1.752","","","","has coordinates","265745","2021-06-04","00:57:01",""
"4518710","6.7593","0.0003","11.1929","0.0004","20.8815","0.0009","90","","90","","90","","1579.81","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O S -","- C17 H21 N O S -","- C68 H84 N4 O4 S4 -","4","1","","Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.","Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers","ACS Catalysis","2021","","","6357","6362","10.1021/acscatal.1c01457","","x-ray","1.54184","CuKα","","0.0474","0.0401","","","0.0915","0.0973","","","","","","1.051","","","","has coordinates","265184","2021-05-13","21:29:21",""
"4518711","19.2387","0.0009","12.2869","0.0002","10.5907","0.0005","90","","130.407","0.007","90","","1906.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.","Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers","ACS Catalysis","2021","","","6357","6362","10.1021/acscatal.1c01457","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0704","0.0708","","","","","","1.057","","","","has coordinates","265185","2021-05-13","21:29:44",""
"4518712","6.5747","0.0003","28.3155","0.0016","32.6239","0.0017","90","","91.334","0.004","90","","6071.8","0.5","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C75 H68 -","- C65 H44 -","- C260 H176 -","4","1","","Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh","Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0617","0.0507","","","0.1396","0.1461","","","","","","1.051","","","","has coordinates","265186","2021-05-13","21:37:01",""
"4518713","16.3451","0.0006","16.3451","0.0006","80.409","0.003","90","","90","","120","","18604.2","1.2","173","2","173","2","","","","","","","","2","R 3 c :H","R 3 -2""c","161","","","","- C53 H36 -","- C53 H36 -","- C954 H648 -","18","1","","Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh","Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0631","0.0453","","","0.1071","0.1148","","","","","","0.93","","","","has coordinates,has disorder","265187","2021-05-13","21:37:33",""
"4518714","12.3702","0.0005","15.2429","0.0006","12.0344","0.0004","90","","112.703","0.001","90","","2093.36","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Br2 O2 -","- C25 H22 Br2 O2 -","- C100 H88 Br8 O8 -","4","1","","Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh","Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.0344","0.0313","","","0.0848","0.087","","","","","","1.044","","","","has coordinates","265188","2021-05-13","21:37:55",""
"4518715","9.9507","0.0004","17.1984","0.0007","32.214","0.0012","82.982","0.002","85.75","0.002","89.947","0.002","5456.4","0.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C71 H64 O3 -","- C71 H64 O3 -","- C284 H256 O12 -","4","2","","Maust, Ruth L.; Li, Penghao; Shao, Baihao; Zeitler, Sarah M.; Sun, Peiguan B.; Reid, Harrison W.; Zakharov, Lev N.; Golder, Matthew R.; Jasti, Ramesh","Controlled Polymerization of Norbornene Cycloparaphenylenes Expands Carbon Nanomaterials Design Space","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00345","","","1.54178","CuKα","","0.1454","0.0978","","","0.2717","0.3101","","","","","","1.058","","","","has coordinates","265189","2021-05-13","21:38:21",""
"4518716","7.3124","0.0012","8.0674","0.0014","11.1844","0.0017","90.429","0.013","96.849","0.014","93.54","0.014","653.76","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br N O2 S2 -","- C12 H8 Br N O2 S2 -","- C24 H16 Br2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.1533","0.0859","","","0.2208","0.2932","","","","","","1.013","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518717","7.5012","0.0013","7.6684","0.0014","12.37","0.002","77.306","0.015","82.115","0.015","74.588","0.015","666.8","0.2","299.5","0.2","299.5","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br N O2 S2 -","- C12 H8 Br N O2 S2 -","- C24 H16 Br2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0651","0.0473","","","0.105","0.1169","","","","","","1.145","","","","has coordinates,has disorder","265752","2021-06-04","00:58:59",""
"4518718","7.4862","0.0008","7.6173","0.0007","12.26","0.0009","77.313","0.007","81.768","0.008","74.085","0.009","653.34","0.11","299.8","0.2","299.8","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl N O2 S2 -","- C12 H8 Cl N O2 S2 -","- C24 H16 Cl2 N2 O4 S4 -","2","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0433","0.0393","","","0.1005","0.1035","","","","","","1.078","","","","has coordinates,has disorder","265752","2021-06-04","00:58:59",""
"4518719","6.637","0.0005","24.4347","0.0018","7.9539","0.0009","90","","93.577","0.008","90","","1287.4","0.2","299.4","0.4","299.4","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 S2 -","- C13 H11 N O2 S2 -","- C52 H44 N4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0538","0.0352","","","0.0663","0.0749","","","","","","1.102","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518720","5.4415","0.0011","7.9266","0.0009","30.427","0.005","90","","94.695","0.019","90","","1308","0.4","299.1","0.3","299.1","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cl O2 S2 -","- C13 H9 Cl O2 S2 -","- C52 H36 Cl4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.1121","0.0966","","","0.2322","0.2589","","","","","","1.061","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518721","5.4811","0.0003","7.9282","0.0003","30.7236","0.0013","90","","95.134","0.005","90","","1329.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br O2 S2 -","- C13 H9 Br O2 S2 -","- C52 H36 Br4 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0499","0.0443","","","0.1248","0.1304","","","","","","1.09","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518722","5.9037","0.0002","12.98","0.0004","17.9041","0.0006","90","","90","","90","","1371.99","0.08","299.4","0.3","299.4","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.0744","0.0757","","","","","","1.037","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518723","5.7416","0.0003","13.0516","0.001","14.497","0.0008","90","","90","","90","","1086.36","0.12","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F2 S2 -","- C12 H8 F2 S2 -","- C48 H32 F8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0779","0.0609","","","0.1362","0.1578","","","","","","1.193","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518724","7.7242","0.0008","28.033","0.004","5.9565","0.0005","90","","90","","90","","1289.8","0.3","293","","293","","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C12 H8 Br2 S2 -","- C12 H8 Br2 S2 -","- C48 H32 Br8 S8 -","4","0.5","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","0.71","MoKα","","0.093","0.0535","","","0.0993","0.1186","","","","","","0.983","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518725","24.1736","0.0007","10.243","0.0003","18.8716","0.0005","90","","121.705","0.001","90","","3975.5","0.2","100","","100","","","","","","","","","7","C 1 c 1","C -2yc","9","","(bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)bis(tetrafluoroborate)","","- C38 H39 B2 Co F8 N2 P3 -","- C38 H39 B2 Co F8 N2 P3 -","- C152 H156 B8 Co4 F32 N8 P12 -","4","1","","Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.","Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes","ACS Catalysis","2021","","","6384","6389","10.1021/acscatal.1c00781","","x-ray","0.71073","MoKα","","0.1077","0.0592","","","0.0982","0.1088","","","","","","1.025","","","","has coordinates,has disorder","265226","2021-05-14","21:24:54",""
"4518726","10.8813","0.0012","21.4","0.002","15.7081","0.0016","90","","95.165","0.004","90","","3642.9","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)tetrafluoroborate","","- C38 H39 B Co F4 N2 P3 -","- C38 H39 B Co F4 N2 P3 -","- C152 H156 B4 Co4 F16 N8 P12 -","4","1","","Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M.","Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes","ACS Catalysis","2021","","","6384","6389","10.1021/acscatal.1c00781","","x-ray","0.71073","MoKα","","0.0606","0.0498","","","0.1143","0.1212","","","","","","1.268","","","","has coordinates,has disorder","265227","2021-05-14","21:25:20",""
"4518727","13.3663","0.0002","10.80081","0.00018","17.0804","0.0003","90","","102.718","0.0017","90","","2405.35","0.07","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Yu, Hongmei; Zhang, Yong; Xing, Cheng; Wang, Ying; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Venlafaxine Caffeic Acid Salt: Synthesis, Structural Characterization, and Hypoglycemic Effect Analysis","ACS Omega","2021","6","21","13895","13903","10.1021/acsomega.1c01581","","","1.54184","CuKα","","0.0532","0.0451","","","0.1161","0.1246","","","","","","1.039","","","","has coordinates","265750","2021-06-04","00:58:22",""
"4518728","8.5057","0.0003","9.0045","0.0004","26.6249","0.0012","90","","90","","90","","2039.19","0.15","270","2","270","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer","Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites","ACS Nano","2021","","","","","10.1021/acsnano.1c02022","","","0.71073","MoKα","","0.0527","0.0413","","","0.1011","0.1065","","","","","","1.045","","","","has coordinates","265310","2021-05-18","21:51:35",""
"4518729","8.8763","0.0003","8.6936","0.0003","27.6162","0.0013","90","","90","","90","","2131.06","0.14","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer","Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites","ACS Nano","2021","","","","","10.1021/acsnano.1c02022","","","0.71073","MoKα","","0.0352","0.0256","","","0.0586","0.0616","","","","","","1.071","","","","has coordinates","265311","2021-05-18","21:52:10",""
"4518730","8.4223","0.0002","8.9958","0.0002","26.0751","0.0006","90","","90","","90","","1975.59","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Menahem, Matan; Dai, Zhenbang; Aharon, Sigalit; Sharma, Rituraj; Asher, Maor; Diskin-Posner, Yael; Korobko, Roman; Rappe, Andrew M.; Yaffe, Omer","Strongly Anharmonic Octahedral Tilting in Two-Dimensional Hybrid Halide Perovskites","ACS Nano","2021","","","","","10.1021/acsnano.1c02022","","","0.71073","MoKα","","0.0382","0.0339","","","0.0883","0.0911","","","","","","1.111","","","","has coordinates","265312","2021-05-18","21:52:26",""
"4518731","19.1548","0.0006","14.4591","0.0004","21.2542","0.0006","90","","104.153","0.002","90","","5707.9","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C312 H240 O36 -","12","3","","Hu, Chao; Farshadfar, Kaveh; Dietl, Martin C.; Cervantes-Reyes, Alejandro; Wang, Tao; Adak, Tapas; Rudolph, Matthias; Rominger, Frank; Li, Jun; Ariafard, Alireza; Hashmi, A. Stephen K.","Gold-Catalyzed [5,5]-Rearrangement","ACS Catalysis","2021","","","6510","6518","10.1021/acscatal.1c01108","","","0.71073","MoKα","","0.1329","0.0616","","","0.157","0.1995","","","","","","0.998","","","","has coordinates","265330","2021-05-19","21:26:09",""
"4518732","18.977","0.003","11.6497","0.0018","12.004","0.002","90","","97.393","0.01","90","","2631.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F9 O4 -","- C25 H22 B F9 O4 -","- C100 H88 B4 F36 O16 -","4","1","","Gatlik, Beata; Chaładaj, Wojciech","Pd-Catalyzed Perfluoroalkylative Aryloxycarbonylation of Alkynes with Formates as CO Surrogates","ACS Catalysis","2021","","","6547","6559","10.1021/acscatal.1c00671","","","1.54178","CuKα","","0.1514","0.1029","","","0.3031","0.351","","","","","","1.101","","","","has coordinates,has disorder","265331","2021-05-19","21:26:33",""
"4518733","24.8417","0.0006","14.2633","0.0004","17.1697","0.0004","90","","128.915","0.001","90","","4733.6","0.2","100.02","","100.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cu N2 O4 -","- C28 H24 Cu N2 O4 -","- C224 H192 Cu8 N16 O32 -","8","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.0291","0.0251","","","0.0698","0.0723","","","","","","1.066","","","","has coordinates","265751","2021-06-04","00:58:32",""
"4518734","12.028","0.0009","14.7995","0.0012","13.5238","0.001","90","","110.518","0.004","90","","2254.6","0.3","100.33","","100.33","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl2 Cu N2 O4 -","- C26 H18 Cl2 Cu N2 O4 -","- C104 H72 Cl8 Cu4 N8 O16 -","4","1","","Yusuf, Tunde L.; Oladipo, Segun D.; Zamisa, Sizwe; Kumalo, Hezekiel M.; Lawal, Isiaka A.; Lawal, Monsurat M.; Mabuba, Nonhlangabezo","Design of New Schiff-Base Copper(II) Complexes: Synthesis, Crystal Structures, DFT Study, and Binding Potency toward Cytochrome P450 3A4","ACS Omega","2021","6","21","13704","13718","10.1021/acsomega.1c00906","","x-ray","0.71073","MoKα","","0.112","0.1023","","","0.3183","0.3223","","","","","","1.182","","","","has coordinates","265751","2021-06-04","00:58:33",""
"4518735","24.293","0.004","6.1225","0.0009","21.491","0.003","90","","113.254","0.005","90","","2936.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cd N2 O7 -","- C11 H15 Cd N2 O7 -","- C88 H120 Cd8 N16 O56 -","8","1","","Bej, Sourav; Mandal, Sukdeb; Mondal, Amita; Pal, Tapan K.; Banerjee, Priyabrata","Solvothermal Synthesis of High-Performance d<sup>10</sup>-MOFs with Hydrogel Membranes @ ""Turn-On"" Monitoring of Formaldehyde in Solution and Vapor Phase.","ACS applied materials & interfaces","2021","13","21","25153","25163","10.1021/acsami.1c05998","","","0.71073","MoKα","","0.0817","0.0573","","","0.1417","0.1566","","","","","","1.047","","","","has coordinates","265746","2021-06-04","00:57:16",""
"4518736","34.418","0.004","10.179","0.0011","18.202","0.002","90","","103.084","0.003","90","","6211.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H10 Cd3 N6 O16 -","- C32 H10 Cd3 N6 O16 -","- C128 H40 Cd12 N24 O64 -","4","0.5","","Bej, Sourav; Mandal, Sukdeb; Mondal, Amita; Pal, Tapan K.; Banerjee, Priyabrata","Solvothermal Synthesis of High-Performance d<sup>10</sup>-MOFs with Hydrogel Membranes @ ""Turn-On"" Monitoring of Formaldehyde in Solution and Vapor Phase.","ACS applied materials & interfaces","2021","13","21","25153","25163","10.1021/acsami.1c05998","","","0.71073","MoKα","","0.1299","0.1076","","","0.3203","0.3471","","","","","","1.387","","","","has coordinates","265746","2021-06-04","00:57:16",""
"4518737","8.6935","0.0004","11.1078","0.0004","15.4392","0.0006","103.343","0.0013","102.776","0.0013","103.769","0.0013","1347.51","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl3 N O2 Rh -","- C27 H33 Cl3 N O2 Rh -","- C54 H66 Cl6 N2 O4 Rh2 -","2","1","","Jin, Seongho; Kim, Jinwoo; Kim, Dongwook; Park, Jung-Woo; Chang, Sukbok","Electrolytic C‒H Oxygenation via Oxidatively Induced Reductive Elimination in Rh Catalysis","ACS Catalysis","2021","","","6590","6595","10.1021/acscatal.1c01670","","","0.71073","MoKα","","0.0412","0.0333","","","0.0701","0.0748","","","","","","1.13","","","","has coordinates","265379","2021-05-20","21:26:44",""
"4518738","16.666","0.003","10.1915","0.0018","16.848","0.003","90","","115.579","0.009","90","","2581.2","0.8","226","","226","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl2 I N2 O2 -","- C25 H29 Cl2 I N2 O2 -","- C100 H116 Cl8 I4 N8 O8 -","4","1","","Mi, Ruijie; Zhang, Xuepeng; Wang, Jinlei; Chen, Haohua; Lan, Yu; Wang, Fen; Li, Xingwei","Rhodium-Catalyzed Regio-, Diastereo-, and Enantioselective Three-Component Carboamination of Dienes via C‒H Activation","ACS Catalysis","2021","","","6692","6697","10.1021/acscatal.1c01615","","","1.54178","CuKα","","0.0845","0.0762","","","0.2174","0.2273","","","","","","1.062","","","","has coordinates","265466","2021-05-24","21:24:26",""
"4518739","7.8347","0.0001","33.8529","0.0003","10.5604","0.0001","90","","111.636","0.001","90","","2603.57","0.05","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H78 B2 N2 O6 P2 -","- C52 H78 B2 N2 O6 P2 -","- C104 H156 B4 N4 O12 P4 -","2","1","","Kubota, Koji; Miura, Daiyo; Takeuchi, Takumi; Osaki, Shun; Ito, Hajime","Synthesis of Chiral α-Amino Tertiary Boronates via the Catalytic Enantioselective Nucleophilic Borylation of Dialkyl Ketimines","ACS Catalysis","2021","","","6733","6740","10.1021/acscatal.1c01689","","x-ray","1.54184","CuKα","","0.0332","0.0324","","","0.0931","0.0939","","","","","","1.109","","","","has coordinates,has disorder","265485","2021-05-25","21:23:21",""
"4518740","8.617","0.002","21.565","0.007","13.651","0.004","90","","90","","90","","2536.7","1.3","110","2","109.67","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H26 N2 O4 -","- C34 H26 N2 O4 -","- C136 H104 N8 O16 -","4","0.5","","Das, Riyanka; Bej, Sourav; Hirani, Harish; Banerjee, Priyabrata","Trace-Level Humidity Sensing from Commercial Organic Solvents and Food Products by an AIE/ESIPT-Triggered Piezochromic Luminogen and ppb-Level “OFF‒ON‒OFF” Sensing of Cu2+: A Combined Experimental and Theoretical Outcome","ACS Omega","2021","","","","","10.1021/acsomega.1c00565","","","0.71073","MoKα","","0.1484","0.0767","","","0.1733","0.2189","","","","","","1.055","","","","has coordinates","265486","2021-05-25","21:34:26",""
"4518741","29.4226","0.0019","44.447","0.004","35.326","0.003","90","","108.777","0.002","90","","43739","6","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C216.5 H197.5 N18.5 O83 Zn14 -","- C216.5 H157 N18.5 O83 Zn14 -","- C866 H628 N74 O332 Zn56 -","4","0.5","","Wang, Zhonghe; Zeng, Le; He, Cheng; Duan, Chunying","Photocatalytic C-H Activation with Alcohol as a Hydrogen Atom Transfer Agent in a 9-Fluorenone Based Metal-Organic Framework.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c03098","","","0.71073","MoKα","","0.154","0.0914","","","0.2818","0.3249","","","","","","1.061","","","","has coordinates,has disorder","265585","2021-05-28","21:23:01",""
"4518742","7.0688","0.0002","19.4569","0.0005","15.0383","0.0004","90","","93.641","0.002","90","","2064.15","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn-Bpeb","","- C20 H18 Cl4 N2 Zn -","- C20 H18 Cl4 N2 Zn -","- C80 H72 Cl16 N8 Zn4 -","4","1","","Wu, Siqin; Zhou, Bo; Yan, Dongpeng","Low-Dimensional Organic Metal Halide Hybrids with Excitation-Dependent Optical Waveguides from Visible to Near-Infrared Emission.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c03926","","x-ray","1.54184","CuKα","","0.049","0.0433","","","0.1078","0.1107","","","","","","1.15","","","","has coordinates","265586","2021-05-28","21:23:33",""
"4518743","7.1137","0.0002","19.6771","0.0004","15.1342","0.0003","90","","96.795","0.002","90","","2103.56","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cd Cl4 N0.25 -","- C20 H18 Cd Cl4 N2 -","- C80 H72 Cd4 Cl16 N8 -","4","1","","Wu, Siqin; Zhou, Bo; Yan, Dongpeng","Low-Dimensional Organic Metal Halide Hybrids with Excitation-Dependent Optical Waveguides from Visible to Near-Infrared Emission.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c03926","","x-ray","1.54184","CuKα","","0.0284","0.0267","","","0.0626","0.0635","","","","","","1.099","","","","has coordinates","265587","2021-05-28","21:24:10",""
"4518744","4.2816","0.0001","12.0065","0.0004","14.4461","0.0005","98.133","0.003","95.017","0.003","96.152","0.003","726.95","0.04","100","10","100","10","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl8 N2 O0 Pb3 -","- C20 H18 Cl8 N2 Pb3 -","- C20 H18 Cl8 N2 Pb3 -","1","0.5","","Wu, Siqin; Zhou, Bo; Yan, Dongpeng","Low-Dimensional Organic Metal Halide Hybrids with Excitation-Dependent Optical Waveguides from Visible to Near-Infrared Emission.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c03926","","","1.54178","CuKα","","0.0364","0.0351","","","0.0971","0.0986","","","","","","1.038","","","","has coordinates","265588","2021-05-28","21:24:38",""
"4518745","11.0531","0.0003","12.6868","0.0003","16.6049","0.0005","75.757","0.002","83.114","0.002","66.615","0.003","2070.87","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 D12 N6 O6 S4 -","- C40 H36 D12 N6 O6 S4 -","- C80 H72 D24 N12 O12 S8 -","2","1","","Stroganova, Tatyana A.; Vasilin, Vladimir K.; Dotsenko, Victor V.; Aksenov, Nicolai A.; Morozov, Pavel G.; Vassiliev, Pavel M.; Volynkin, Vitaly A.; Krapivin, Gennady D.","Unusual Oxidative Dimerization in the 3-Aminothieno[2,3-b]pyridine-2-carboxamide Series","ACS Omega","2021","","","","","10.1021/acsomega.1c00341","","x-ray","1.54184","CuKα","","0.0536","0.0502","","","0.1327","0.1363","","","","","","1.068","","","","has coordinates","265590","2021-05-28","21:46:17",""
"4518746","11.202","0.003","13.817","0.004","19.03","0.007","69.497","0.007","83.942","0.006","71.051","0.005","2609.2","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Moris680b (Konstantin)","","","- C41 H76 N6 Si6 U -","- C41 H76 N6 Si6 U -","- C82 H152 N12 Si12 U2 -","2","1","","Makarov, Konstantin; Saha, Sayantani; Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Remodeling of N-Heterocyclic Iminato Ligand Frameworks for the Facile Synthesis of Isoureas from Alcohols and Carbodiimides Promoted by Organoactinide (Th, U) Complexes","ACS Omega","2021","","","","","10.1021/acsomega.1c01836","","","0.71073","MoKα","","0.112","0.0645","","","0.1206","0.1372","","","","","","0.838","","","","has coordinates","265591","2021-05-28","21:46:39",""
"4518747","11.2761","0.0014","13.825","0.002","19.081","0.002","69.338","0.004","83.924","0.003","71.128","0.002","2633.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","Moris678b (Konstantin)","","- C41 H76 N6 Si6 Th -","- C41 H76 N6 Si6 Th -","- C82 H152 N12 Si12 Th2 -","2","1","","Makarov, Konstantin; Saha, Sayantani; Ghatak, Tapas; Fridman, Natalia; Eisen, Moris S.","Remodeling of N-Heterocyclic Iminato Ligand Frameworks for the Facile Synthesis of Isoureas from Alcohols and Carbodiimides Promoted by Organoactinide (Th, U) Complexes","ACS Omega","2021","","","","","10.1021/acsomega.1c01836","","","0.71073","MoKα","","0.0483","0.0352","","","0.0697","0.0734","","","","","","0.829","","","","has coordinates","265592","2021-05-28","21:47:02",""
"4518748","8.1723","0.0008","11.5815","0.001","12.0792","0.001","110.821","0.008","99.527","0.007","108.076","0.008","965.69","0.18","293.8","0.18","293.8","0.18","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.0603","0.0455","","","0.1045","0.1134","","","","","","1.0686","","","","has coordinates","265593","2021-05-28","21:48:16",""
"4518749","13.3338","0.0012","14.5767","0.0009","11.8146","0.0014","90","","103.407","0.009","90","","2233.7","0.4","294.38","0.1","294.38","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C108 H96 O24 -","4","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.1019","0.0551","","","0.1146","0.1362","","","","","","1.022","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518750","13.285","0.002","14.4225","0.0013","11.9517","0.0012","90","","105.632","0.012","90","","2205.3","0.5","296.44","0.15","296.44","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 Cl3 O6 -","- C24 H15 Cl3 O6 -","- C96 H60 Cl12 O24 -","4","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.1887","0.0827","","","0.1007","0.1303","","","","","","1.047","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518751","9.8005","0.0006","10.7669","0.0004","11.3858","0.0006","84.965","0.003","71.99","0.005","81.26","0.004","1128.24","0.11","292","0.6","292","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O6 -","- C27 H24 O6 -","- C54 H48 O12 -","2","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.0658","0.045","","","0.1038","0.1147","","","","","","1.03","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518752","8.053","0.0006","24.436","0.003","12.3129","0.0012","90","","100.869","0.007","90","","2379.5","0.4","294.1","0.7","294.1","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 O9 -","- C27 H24 O9 -","- C108 H96 O36 -","4","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.1081","0.056","","","0.1108","0.1366","","","","","","1.0617","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518753","9.1302","0.0006","11.5971","0.001","12.5478","0.0009","103.762","0.007","96.584","0.006","90.048","0.006","1281.41","0.17","293.55","0.11","293.55","0.11","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","1","","Marpna, Ibakyntiew D.; Shangpliang, O. Risuklang; Wanniang, Kmendashisha; Kshiar, Baskhemlang; Lipon, Tyrchain Mitre; Laloo, Badaker M.; Myrboh, Bekington","Trifluoroacetic Acid-Mediated Oxidative Self-Condensation of Acetophenones in the Presence of SeO2: A Serendipitous Approach for the Synthesis of Fused [1,3]Dioxolo[4,5-d][1,3]dioxoles","ACS Omega","2021","","","","","10.1021/acsomega.1c01466","","x-ray","0.71073","MoKα","","0.0815","0.0502","","","0.1147","0.1271","","","","","","1.027","","","","has coordinates","265593","2021-05-28","21:48:17",""
"4518754","17.354","0.004","17.817","0.004","24.358","0.005","90","","90","","90","","7531","3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H78 F18 Fe2 N6 O13 -","- C72 H78 F18 Fe2 N6 O13 -","- C288 H312 F72 Fe8 N24 O52 -","4","1","","Wang, Yuefei; Li, Qing; Zhang, Jiaxing; Qi, Wei; You, Shengping; Su, Rongxin; He, Zhimin","Self-Templated, Enantioselective Assembly of an Amyloid-like Dipeptide into Multifunctional Hierarchical Helical Arrays","ACS Nano","2021","","","","","10.1021/acsnano.1c00746","","","0.71073","MoKα","","0.0841","0.0725","","","0.1706","0.179","","","","","","1.095","","","","has coordinates","265594","2021-05-28","22:06:53",""
"4518755","17.318","0.004","17.786","0.004","24.349","0.005","90","","90","","90","","7500","3","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H78 F18 Fe2 N6 O13 -","- C72 H78 F18 Fe2 N6 O13 -","- C288 H312 F72 Fe8 N24 O52 -","4","1","","Wang, Yuefei; Li, Qing; Zhang, Jiaxing; Qi, Wei; You, Shengping; Su, Rongxin; He, Zhimin","Self-Templated, Enantioselective Assembly of an Amyloid-like Dipeptide into Multifunctional Hierarchical Helical Arrays","ACS Nano","2021","","","","","10.1021/acsnano.1c00746","","","0.71073","MoKα","","0.0808","0.0657","","","0.1598","0.1707","","","","","","1.071","","","","has coordinates","265595","2021-05-28","22:07:15",""
"4518756","10.2799","0.0002","5.2046","0.0001","12.4362","0.0002","90","","91.289","0.001","90","","665.2","0.02","169.99","0.11","169.99","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C28 H34 N2 O8 -","2","1","","Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase","ACS Catalysis","2021","","","6900","6907","10.1021/acscatal.1c01220","","x-ray","1.54184","CuKα","","0.0326","0.0316","","","0.0815","0.0823","","","","","","1.049","","","","has coordinates","265616","2021-05-29","21:24:43",""
"4518757","7.999","0.0002","14.9431","0.0003","11.0324","0.0002","90","","95.829","0.002","90","","1311.88","0.05","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O8 -","- C28 H34 N2 O8 -","- C56 H68 N4 O16 -","2","1","","Ao, Yu-Fei; Hu, Hui-Juan; Zhao, Cheng-Xin; Chen, Peng; Huang, Tingting; Chen, Hui; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Reversal and Amplification of the Enantioselectivity of Biocatalytic Desymmetrization toward Meso Heterocyclic Dicarboxamides Enabled by Rational Engineering of Amidase","ACS Catalysis","2021","","","6900","6907","10.1021/acscatal.1c01220","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0763","0.0779","","","","","","1.077","","","","has coordinates","265617","2021-05-29","21:25:05",""
"4518758","11.0437","0.0005","16.1591","0.0007","17.43","0.0007","90.558","0.002","93.66","0.002","93.443","0.002","3098.3","0.2","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H71 N3 O9 -","- C80 H71 N3 O9 -","- C160 H142 N6 O18 -","2","1","","Wei, Yuefang; Zheng, Aibin; Xie, Xinrui; Zhang, Jingfeng; He, Lifei; Wang, Peng","A Pyrrole-Bridged Bis(oxa[5]helicene)-Based Molecular Semiconductor for Efficient and Durable Perovskite Solar Cells: Microscopic Insights","ACS Materials Letters","2021","","","947","955","10.1021/acsmaterialslett.1c00291","","","0.71073","MoKα","","0.0777","0.0522","","","0.1302","0.1464","","","","","","1.033","","","","has coordinates,has disorder","265655","2021-06-01","21:52:26",""
"4518759","12.5963","0.0011","15.8309","0.0012","21.3399","0.0016","90","","94.305","0.007","90","","4243.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C81 H95 Co2 N3 O42 -","- C72 H61 Co2 O34 -","- C144 H122 Co4 O68 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1448","0.0814","","","0.2101","0.2503","","","","","","1.027","","","","has coordinates","266953","2021-07-04","01:29:20",""
"4518760","12.4181","0.0012","15.923","0.0015","21.1268","0.0018","90","","99.729","0.003","90","","4117.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C78 H82 Co2 N2 O38 -","- C75 H69 Co2 N O35 -","- C150 H138 Co4 N2 O70 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1781","0.1145","","","0.2815","0.3235","","","","","","1.064","","","","has coordinates,has disorder","266953","2021-07-04","01:29:24",""
"4518761","12.5759","0.0006","15.8171","0.0007","21.3319","0.001","90","","93.982","0.002","90","","4233","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C78 H82 Co2 N14 O58 -","- C78 H80 Co2 N4 O41 -","- C156 H160 Co4 N8 O82 -","2","0.5","","Ma, Yun-Xiang; Gao, Bin; Li, Yongxin; Wei, Wei; Zhao, Yanli; Ma, Jian-Fang","Macrocycle-Based Metal-Organic Frameworks with NO<sub>2</sub>-Driven On/Off Switch of Conductivity.","ACS applied materials & interfaces","2021","13","23","27066","27073","10.1021/acsami.1c05481","","","0.71073","MoKα","","0.1403","0.0761","","","0.2045","0.251","","","","","","1.023","","","","has coordinates,has disorder","266953","2021-07-04","01:29:24",""
"4518762","9.1864","0.0003","20.8702","0.0007","13.5759","0.0005","90","","101.606","0.003","90","","2549.58","0.15","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H46 B Mn O2 P4 -","- C18 H46 B Mn O2 P4 -","- C72 H184 B4 Mn4 O8 P16 -","4","1","","Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P.","Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives","ACS Catalysis","2021","","","6857","6864","10.1021/acscatal.1c01563","","x-ray","0.71073","MoKα","","0.0398","0.0323","","","0.0651","0.0684","","","","","","1.058","","","","has coordinates","265722","2021-06-03","19:10:52",""
"4518763","10.4506","0.0003","11.3275","0.0003","13.0799","0.0004","67.787","0.002","86.307","0.002","71.524","0.002","1356.88","0.07","250","0.1","250","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 B Mn N2 P4 -","- C22 H42 B Mn N2 P4 -","- C44 H84 B2 Mn2 N4 P8 -","2","1","","Britton, Luke; Skrodzki, Maciej; Nichol, Gary S.; Dominey, Andrew P.; Pawluć, Piotr; Docherty, Jamie H.; Thomas, Stephen P.","Manganese-Catalyzed C(sp2)‒H Borylation of Furan and Thiophene Derivatives","ACS Catalysis","2021","","","6857","6864","10.1021/acscatal.1c01563","","x-ray","1.54184","CuKα","","0.0655","0.0576","","","0.1495","0.1549","","","","","","1.033","","","","has coordinates","265723","2021-06-03","19:11:16",""
"4518764","11.2079","0.0002","7.4007","0.0001","12.3548","0.0002","90","","107.452","0.001","90","","977.61","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C48 H50 N2 O6 -","2","1","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","1.54178","CuKα","","0.0326","0.0304","","","0.0758","0.0781","","","","","","1.044","","","","has coordinates","265724","2021-06-03","19:11:37",""
"4518765","18.9333","0.0005","18.9333","0.0005","13.1408","0.0005","90","","90","","90","","4710.6","0.3","193","2","193","","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C14 H27 Ag F6 N3 O4 S2 -","- C14 H27 Ag F6 N3 O4 S2 -","- C112 H216 Ag8 F48 N24 O32 S16 -","8","1","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","0.71073","MoKα","","0.0744","0.0655","","","0.1931","0.2065","","","","","","1.079","","","","has coordinates,has disorder","265725","2021-06-03","19:12:01",""
"4518766","6.9069","0.0002","7.5708","0.0002","15.0339","0.0004","89.354","0.001","84.929","0.001","87.912","0.001","782.51","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H20 O -","- C21 H20 O -","- C42 H40 O2 -","2","2","","Zou, Chuncheng; Yang, Lei; Zhang, Lei; Liu, Chengyu; Ma, Yueyue; Song, Gonghua; Liu, Zhen; Cheng, Ruihua; Ye, Jinxing","Enantioselective Vinylogous Conia-Ene Reaction Catalyzed by a Disilver(I)/Bisdiamine Complex","ACS Catalysis","2021","","","6865","6871","10.1021/acscatal.1c01033","","","1.54178","CuKα","","0.041","0.0388","","","0.103","0.1058","","","","","","1.053","","","","has coordinates","265726","2021-06-03","19:12:23",""
"4518767","9.9232","0.0002","13.1316","0.0003","14.5808","0.0003","115.22","0.001","107.436","0.001","94.04","0.001","1596.11","0.06","170","2","169.97","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H48 Ca N4 -","- C27 H48 Ca N4 -","- C54 H96 Ca2 N8 -","2","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0641","0.0577","","","0.1618","0.1676","","","","","","1.039","","","","has coordinates","265727","2021-06-03","19:12:54",""
"4518768","10.0487","0.0002","11.1824","0.0002","17.1691","0.0003","84.698","0.001","84.857","0.001","76.81","0.001","1865.65","0.06","170","2","169.97","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H58 Ca N4 Si -","- C31 H58 Ca N4 Si -","- C62 H116 Ca2 N8 Si2 -","2","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0375","0.0356","","","0.0991","0.101","","","","","","1.074","","","","has coordinates","265728","2021-06-03","19:13:20",""
"4518769","14.0817","0.0004","20.8984","0.0006","21.3489","0.0006","90","","90","","90","","6282.7","0.3","170","2","169.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H52 Ca N4 Si -","- C28 H52 Ca N4 Si -","- C224 H416 Ca8 N32 Si8 -","8","1","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0551","0.0427","","","0.1059","0.1143","","","","","","1.038","","","","has coordinates","265729","2021-06-03","19:13:56",""
"4518770","19.5031","0.0005","49.3831","0.0015","13.0859","0.0003","90","","90","","90","","12603.3","0.6","170","2","170.04","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H84 Ca2 N8 -","- C48 H84 Ca2 N8 -","- C384 H672 Ca16 N64 -","8","0.5","","Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH","ACS Catalysis","2021","","","6348","6356","10.1021/acscatal.1c00463","","","1.34139","GaKα","","0.0633","0.0478","","","0.1194","0.1313","","","","","","1.045","","","","has coordinates","265730","2021-06-03","19:14:26",""
"4518771","26.8708","0.0018","7.3323","0.0007","20.6528","0.0014","90","","95.548","0.006","90","","4050.1","0.5","150","2","150","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C152 H200 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0744","0.0537","","","0.1391","0.1534","","","","","","1.02","","","","has coordinates","265731","2021-06-03","19:48:47",""
"4518772","8.2535","0.0002","14.1548","0.0004","18.1606","0.0007","100.206","0.003","99.075","0.003","102.165","0.002","1998.79","0.11","150","2","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N5 O6 -","- C19 H25 N5 O6 -","- C76 H100 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0703","0.0495","","","0.124","0.1369","","","","","","1.046","","","","has coordinates","265732","2021-06-03","19:49:10",""
"4518773","7.7392","0.0004","15.8949","0.0016","17.396","0.002","110.066","0.011","90.729","0.007","90.19","0.007","2009.8","0.4","150","2","149.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C18.6 H23.8 N5 O6 -","- C18.6 H23.8 N5 O6 -","- C74.4 H95.2 N20 O24 -","4","2","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.1407","0.0621","","","0.1311","0.1536","","","","","","0.786","","","","has coordinates","265733","2021-06-03","19:49:32",""
"4518774","7.7446","0.0001","15.5385","0.0002","36.6455","0.0007","90","","91.337","0.002","90","","4408.7","0.12","150","2","150.01","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H29 N5 O6 -","- C21 H29 N5 O6 -","- C168 H232 N40 O48 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0509","0.047","","","0.1337","0.1367","","","","","","1.076","","","","has coordinates,has disorder","265734","2021-06-03","19:49:56",""
"4518775","5.9795","0.0002","10.4226","0.0005","8.2748","0.0003","90","","95.08","0.004","90","","513.68","0.04","150","2","150.01","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0764","0.0773","","","","","","1.052","","","","has coordinates","265735","2021-06-03","19:50:17",""
"4518776","14.0556","0.0003","8.4265","0.0002","23.4225","0.0006","90","","90","","90","","2774.15","0.11","150","2","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H22 Cl N O3 -","- C13 H22 Cl N O3 -","- C104 H176 Cl8 N8 O24 -","8","1","","Zeng, Ziyu; Kociok-Köhn, Gabriele; Woodman, Timothy J.; Rowan, Michael G.; Blagbrough, Ian S.","The <sup>1</sup>H NMR Spectroscopic Effect of Steric Compression Is Found in [3.3.1]Oxa- and Azabicycles and Their Analogues.","ACS omega","2021","6","19","12769","12786","10.1021/acsomega.1c01093","","x-ray","1.54184","CuKα","","0.0465","0.0449","","","0.117","0.1185","","","","","","1.065","","","","has coordinates","265736","2021-06-03","19:50:41",""
"4518777","43.339","0.006","43.339","0.006","43.339","0.006","90","","90","","90","","81402","2","173","2","173","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C151 H130 Cl5 Ir0.5 N7.5 O40 Zr12 -","- C139.488 H65.4912 Cl4.9998 Ir0.5004 N13.4976 O40 Zr12 -","- C1115.9 H523.93 Cl39.9984 Ir4.0032 N107.981 O320 Zr96 -","8","0.0416667","","Qi, Xiangjuan; Zhong, Ronglin; Chen, Mengmeng; Sun, Chunyi; You, Siqi; Gu, Jianxia; Shan, Guogang; Cui, Dongxu; Wang, Xinlong; Su, Zhongmin","Single Metal‒Organic Cage Decorated with an Ir(III) Complex for CO2 Photoreduction","ACS Catalysis","2021","11","12","7241","7248","10.1021/acscatal.1c01974","","","1.54178","CuKα","","0.2263","0.1908","","","0.4761","0.5176","","","","","","2.337","","","","has coordinates,has disorder","266960","2021-07-04","01:34:50",""
"4518778","7.1681","0.0002","7.1681","0.0002","7.2748","0.0003","90","","90","","90","","373.79","0.02","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","Na2.97SbS3.97Cl0.03 tetragonal","","","- M4 Na2.97 Sb -","- M4 Na2.97 Sb -","- M8 Na5.94 Sb2 -","2","0.25","","Gamo, Hirotada; Phuc, Nguyen Huu Huy; Muto, Hiroyuki; Matsuda, Atsunori","Effects of Substituting S with Cl on the Structural and Electrochemical Characteristics of Na3SbS4 Solid Electrolytes","ACS Applied Energy Materials","2021","4","6","6125","6134","10.1021/acsaem.1c00927","powder diffraction","","1.54059","CuKα~1~","","0.0205","","","","","","0.01887","0.03816","1.6259","","","","","","","has coordinates","266946","2021-07-04","01:22:31",""
"4518779","7.1653","0.0001","7.1653","0.0001","7.2896","0.0002","90","","90","","90","","374.259","0.013","","","","","","","","","","","","3","P -4 21 c","P -4 2n","114","Na3SbS4 tetragonal","","","- Na3 S4 Sb -","- Na3 S4 Sb -","- Na6 S8 Sb2 -","2","0.25","","Gamo, Hirotada; Phuc, Nguyen Huu Huy; Muto, Hiroyuki; Matsuda, Atsunori","Effects of Substituting S with Cl on the Structural and Electrochemical Characteristics of Na3SbS4 Solid Electrolytes","ACS Applied Energy Materials","2021","4","6","6125","6134","10.1021/acsaem.1c00927","powder diffraction","","1.54059","CuKα~1~","","0.02236","","","","","","0.02309","0.03194","1.516","","","","","","","has coordinates","266946","2021-07-04","01:22:42",""
"4518780","21.6169","0.001","9.6595","0.0007","23.7518","0.0011","90","","101.541","0.004","90","","4859.3","0.5","293","2","293","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C28 H32 O3 -","- C28 H33 O3 -","- C224 H264 O24 -","8","1","","Liao, Rui; Wang, Xiumei; Peng, Ling; Sun, Huibin; Huang, Wei","Achieving Organic Smart Fluorophores by Controlling the Balance between Intermolecular Interactions and External Stimuli.","ACS applied materials & interfaces","2021","13","23","27491","27499","10.1021/acsami.1c07252","","","0.71073","MoKα","","0.1294","0.0697","","","0.1925","0.2402","","","","","","1.006","","","","has coordinates","266954","2021-07-04","01:30:00",""
"4518781","14.1982","0.0015","16.0559","0.0017","16.8088","0.0019","94.221","0.003","99.465","0.003","103.118","0.003","3656.4","0.7","130.15","","130.15","","","","","","","","","5","P -1","-P 1","2","","","","- C59 H44 Co3 N6 O16 -","- C59 H44 Co3 N6 O16 -","- C118 H88 Co6 N12 O32 -","2","1","","Seal, Nilanjan; Palakkal, Athulya S.; Singh, Manpreet; Goswami, Ranadip; Pillai, Renjith S.; Neogi, Subhadip","Chemically Robust and Bifunctional Co(II)-Framework for Trace Detection of Assorted Organo-toxins and Highly Cooperative Deacetalization-Knoevenagel Condensation with Pore-Fitting-Induced Size-Selectivity.","ACS applied materials & interfaces","2021","13","24","28378","28389","10.1021/acsami.1c07273","","","0.71073","MoKα","","0.1432","0.0945","","","0.2556","0.2987","","","","","","1.0851","","","","has coordinates","266949","2021-07-04","01:26:16",""
"4518782","9.3728","0.0014","3.9812","0.0007","22.161","0.004","90","","93.573","0.005","90","","825.3","0.2","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 O0 -","- C10 H6 N2 -","- C40 H24 N8 -","4","1","","Seal, Nilanjan; Palakkal, Athulya S.; Singh, Manpreet; Goswami, Ranadip; Pillai, Renjith S.; Neogi, Subhadip","Chemically Robust and Bifunctional Co(II)-Framework for Trace Detection of Assorted Organo-toxins and Highly Cooperative Deacetalization-Knoevenagel Condensation with Pore-Fitting-Induced Size-Selectivity.","ACS applied materials & interfaces","2021","13","24","28378","28389","10.1021/acsami.1c07273","","","0.71073","MoKα","","0.1348","0.0609","","","0.1513","0.1964","","","","","","1.002","","","","has coordinates","266949","2021-07-04","01:26:33",""
"4518783","13.8699","0.0003","17.5411","0.0003","27.7173","0.0003","90","","94.007","0.001","90","","6726.9","0.2","130","2","130","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N6 O9 Zn -","- C34 H28 N6 O9 Zn -","- C272 H224 N48 O72 Zn8 -","8","1","","Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz","Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.","ACS applied materials & interfaces","2021","13","24","28503","28513","10.1021/acsami.1c07268","","x-ray","0.71073","MoKα","","0.1066","0.0594","","","0.1118","0.1278","","","","","","1.085","","","","has coordinates","266950","2021-07-04","01:27:11",""
"4518784","12.98","0.003","18.06","0.004","27.94","0.006","90","","94.34","0.03","90","","6531","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 O7 Zn -","- C34 H24 N6 O7 Zn -","- C272 H192 N48 O56 Zn8 -","8","1","","Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz","Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.","ACS applied materials & interfaces","2021","13","24","28503","28513","10.1021/acsami.1c07268","","","0.8939","synchrotron","","0.0741","0.0556","","","0.1448","0.1769","","","","","","1.098","","","","has coordinates","266950","2021-07-04","01:27:18",""
"4518785","16.9782","0.0013","18.508","0.0014","26.157","0.002","90","","101.653","0.008","90","","8050","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 O7 Zn -","- C34 H24 N6 O7 Zn -","- C272 H192 N48 O56 Zn8 -","8","1","","Roztocki, Kornel; Rauche, Marcus; Bon, Volodymyr; Kaskel, Stefan; Brunner, Eike; Matoga, Dariusz","Combining <i>In Situ</i> Techniques (XRD, IR, and <sup>13</sup>C NMR) and Gas Adsorption Measurements Reveals CO<sub>2</sub>-Induced Structural Transitions and High CO<sub>2</sub>/CH<sub>4</sub> Selectivity for a Flexible Metal-Organic Framework JUK-8.","ACS applied materials & interfaces","2021","13","24","28503","28513","10.1021/acsami.1c07268","","x-ray","0.71073","MoKα","","0.1551","0.1193","","","0.3288","0.351","","","","","","1.032","","","","has coordinates,has disorder","266950","2021-07-04","01:27:18",""
"4518786","17.2358","0.0008","4.9787","0.0002","25.0265","0.0009","90","","97.307","0.004","90","","2130.13","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H50 N2 O6 S2 -","- C50 H50 N2 O6 S2 -","- C100 H100 N4 O12 S4 -","2","1","","Liang, Juncong; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","Hierarchically Evolved Supramolecular Chirality Mediated by Arene-Perfluoroarene Interaction.","ACS applied materials & interfaces","2021","13","24","29170","29178","10.1021/acsami.1c07720","","x-ray","1.54184","CuKα","","0.0714","0.0566","","","0.1442","0.1531","","","","","","1.049","","","","has coordinates","266951","2021-07-04","01:27:50",""
"4518787","13.347","0.003","7.9177","0.0016","13.683","0.003","90","","91.98","0.002","90","","1445.1","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 B F2 N -","- C18 H14 B F2 N -","- C72 H56 B4 F8 N4 -","4","2","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0519","0.0432","","","0.0935","0.0982","","","","","","1.055","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518788","7.791","0.002","10.316","0.003","13.717","0.004","72.903","0.004","78.602","0.004","70.427","0.004","986.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B N O2 -","- C24 H26 B N O2 -","- C48 H52 B2 N2 O4 -","2","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.1083","0.0695","","","0.1589","0.1753","","","","","","1.061","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518789","8.2846","0.0005","11.5452","0.0007","17.4901","0.001","90","","90","","90","","1672.88","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","1.54178","CuKα","","0.0223","0.0216","","","0.053","0.0535","","","","","","1.057","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518790","7.738","0.003","11.313","0.004","11.517","0.004","90","","95.132","0.004","90","","1004.2","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.67 H3.67 Cl0.33 N0.33 O0.67 -","- C3.66667 H3.66667 Cl0.333333 N0.333333 O0.666667 -","- C44 H44 Cl4 N4 O8 -","12","3","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0525","0.0413","","","0.11","0.1186","","","","","","1.035","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518791","9.3814","0.0001","12.2395","0.0002","21.7629","0.0003","85.937","0.001","85.118","0.001","71.918","0.002","2364.26","0.06","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 P4 Re2 -","- C54 H60 P4 Re2 -","- C108 H120 P8 Re4 -","2","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0549","0.0421","","","0.0683","0.072","","","","","","1.176","","","","has coordinates,has disorder","266961","2021-07-04","01:35:44",""
"4518792","12.9998","0.0002","29.3027","0.0004","14.5738","0.0002","90","","102.888","0.001","90","","5411.73","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H67 B K O8 P2 Re -","- C45 H67 B K O8 P2 Re -","- C180 H268 B4 K4 O32 P8 Re4 -","4","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0297","0.0286","","","0.0633","0.0637","","","","","","1.151","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518793","11.5282","0.0003","24.9634","0.0008","26.1194","0.0009","90","","90","","90","","7516.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","ReH6(dppp)(Bpin)","","- C40 H52 B O2 P2 Re -","- C40 H52 B O2 P2 Re -","- C320 H416 B8 O16 P16 Re8 -","8","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0585","0.0381","","","0.0503","0.0541","","","","","","1.095","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518794","7.8674","0.0012","10.8182","0.0015","16.305","0.003","94.407","0.007","91.928","0.007","97.087","0.007","1371.8","0.4","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N4 O2 -","- C16 H12 N4 O2 -","- C64 H48 N16 O8 -","4","2","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","0.71075","MoKα","","","0.083","","","","0.288","","","","","","1.038","","","","has coordinates","266964","2021-07-04","01:37:55",""
"4518795","16.516","0.0013","14.1547","0.0011","7.1025","0.0007","90","","91.122","0.006","90","","1660.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH60_14_09_17","","","- C20 H10 Cl N5 -","- C20 H10 Cl N5 -","- C80 H40 Cl4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.1315","0.0627","","","0.1646","0.1904","","","","","","1.129","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518796","7.4315","0.0003","15.4721","0.0007","13.5859","0.0006","90","","91.551","0.002","90","","1561.55","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Hamada_GH68C_11_10_17","","","- C20 H12 N6 -","- C20 H12 N6 -","- C80 H48 N24 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0506","0.0441","","","0.1112","0.1177","","","","","","1.164","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518797","16.8422","0.0008","14.1742","0.0008","7.0948","0.0004","90","","90.995","0.004","90","","1693.45","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH64C_27_09_17","","","- C20 H10 Br N5 -","- C20 H10 Br N5 -","- C80 H40 Br4 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0727","0.0551","","","0.1585","0.1819","","","","","","1.053","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518798","18.444","0.002","12.6807","0.0012","6.8046","0.0007","90","","90","","90","","1591.5","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H13 N5 -","- C21 H13 N5 -","- C84 H52 N20 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.0756","0.0687","","","0.1728","0.1781","","","","","","1.088","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518799","16.3529","0.0014","14.2319","0.0013","7.2576","0.0008","90","","97.256","0.008","90","","1675.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hamada_GH61_17_09_17","","","- C21 H13 N5 O -","- C21 H13 N5 O -","- C84 H52 N20 O4 -","4","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.159","0.0712","","","0.1798","0.2235","","","","","","1.106","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518800","7.0765","0.0005","14.1844","0.0009","15.9271","0.001","76.326","0.004","77.458","0.005","88.903","0.005","1515.44","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","Hamada_GH59_13_09_17","","","- C40 H22 N10 -","- C40 H22 N10 -","- C80 H44 N20 -","2","1","","Ibrahim, Hamada Mohamed; Behbehani, Haider","TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.","ACS omega","2021","6","24","16086","16099","10.1021/acsomega.1c01980","","","1.54178","CuKα","","0.079","0.0497","","","0.1505","0.1997","","","","","","0.738","","","","has coordinates","266964","2021-07-04","01:38:06",""
"4518801","9.0705","0.0005","10.4979","0.0006","12.268","0.0007","94.399","0.003","106.772","0.003","96.64","0.003","1103.51","0.11","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H37 N3 O Si2 Sr -","- C14 H37 N3 O Si2 Sr -","- C28 H74 N6 O2 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0723","0.0553","","","0.1362","0.1445","","","","","","0.966","","","","has coordinates","266965","2021-07-04","01:38:59",""
"4518802","10.027","0.002","10.505","0.002","12.868","0.003","86.037","0.012","72.8","0.01","81.722","0.011","1280.8","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C17 H43 N3 O2 Si2 Sr -","- C17 H43 N3 O2 Si2 Sr -","- C34 H86 N6 O4 Si4 Sr2 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0767","0.0553","","","0.1473","0.1654","","","","","","1.105","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518803","12.2155","0.0009","18.9312","0.0014","20.4702","0.0016","90","","90","","90","","4733.8","0.6","100","1","100","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H39 N3 O Si2 Sr -","- C15 H39 N3 O Si2 Sr -","- C120 H312 N24 O8 Si16 Sr8 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0627","0.0346","","","0.0783","0.0913","","","","","","1.045","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518804","18.04","0.0014","11.5817","0.0009","35.591","0.003","90","","103.789","0.004","90","","7221.9","1","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H61 N4 O4 Sr1.5 -","- C29 H61 N4 O4 Sr1.5 -","- C232 H488 N32 O32 Sr12 -","8","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1126","0.0527","","","0.1219","0.144","","","","","","1.026","","","","has coordinates","266965","2021-07-04","01:39:09",""
"4518805","17.582","0.0007","14.2227","0.0005","23.1741","0.0009","90","","97.147","0.002","90","","5750","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 F18 N6 O9 Sr3 -","- C39 H60 F18 N6 O9 Sr3 -","- C156 H240 F72 N24 O36 Sr12 -","4","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.0877","0.0566","","","0.1454","0.1665","","","","","","1.035","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518806","12.058","0.003","12.438","0.003","21.422","0.006","93.087","0.016","101.598","0.014","110.133","0.013","2928.3","1.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H66 F18 N6 O9 Sr3 -","- C42 H66 F18 N6 O9 Sr3 -","- C84 H132 F36 N12 O18 Sr6 -","2","1","","Park, Chanwoo; Hwang, Jeong Min; Go, Yongmin; Choi, Heenang; Park, Bo Keun; Kim, Chang Gyoun; Ryu, Ji Yeon; Hong, Chang Seop; Chung, Taek-Mo","Synthesis and Crystal Structures of New Strontium Complexes with Aminoalkoxy and β-Diketonato Ligands.","ACS omega","2021","6","24","15948","15956","10.1021/acsomega.1c01624","","","0.71073","MoKα","","0.1047","0.0628","","","0.1545","0.175","","","","","","1.013","","","","has coordinates,has disorder","266965","2021-07-04","01:39:09",""
"4518807","5.0497","0.0002","6.4021","0.0002","12.9263","0.0005","82.558","0.003","84.65","0.003","70.411","0.003","389.83","0.03","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H5 N8 O3 -","- C4 H5 N8 O3 -","- C8 H10 N16 O6 -","2","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","","1.54178","CuKα","","0.0452","0.0401","","","0.1137","0.1191","","","","","","1.085","","","","has coordinates,has disorder","266948","2021-07-04","01:25:21",""
"4518808","6.519","0.0003","11.9913","0.0004","11.7693","0.0004","90","","91.414","0.001","90","","919.74","0.06","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Cl N6 O6 -","- C4 H5 Cl N6 O6 -","- C16 H20 Cl4 N24 O24 -","4","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","","0.71073","MoKα","","0.0742","0.0453","","","0.0935","0.1127","","","","","","1.046","","","","has coordinates","266948","2021-07-04","01:25:29",""
"4518809","9.6613","0.0001","11.1387","0.0002","15.57","0.0002","90","","90","","90","","1675.55","0.04","295.51","0.14","295.51","0.14","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H5 N7 O5 -","- C4 H5 N7 O5 -","- C32 H40 N56 O40 -","8","1","","Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua","Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.","ACS applied materials & interfaces","2021","13","24","28390","28397","10.1021/acsami.1c07558","","x-ray","1.54184","CuKα","","0.0407","0.0362","","","0.0993","0.104","","","","","","1.063","","","","has coordinates","266948","2021-07-04","01:25:29",""
"4518810","9.167","0.003","9.525","0.003","11.969","0.004","79.705","0.008","87.577","0.008","80.445","0.008","1013.9","0.6","129","2","129","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl5 N4 Zn -","- C19 H13 Cl5 N4 Zn -","- C38 H26 Cl10 N8 Zn2 -","2","1","","Das, Siuli; Mondal, Rakesh; Chakraborty, Gargi; Guin, Amit Kumar; Das, Abhishek; Paul, Nanda D.","Zinc Stabilized Azo-anion Radical in Dehydrogenative Synthesis of N-Heterocycles. An Exclusively Ligand Centered Redox Controlled Approach","ACS Catalysis","2021","11","12","7498","7512","10.1021/acscatal.1c00275","","","0.71073","MoKα","","0.0373","0.0312","","","0.0843","0.0873","","","","","","1.065","","","","has coordinates","266962","2021-07-04","01:36:33",""
"4518811","11.2672","0.001","10.7013","0.001","29.775","0.003","90","","90.307","0.001","90","","3590","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N3 O Rh -","- C40 H54 N3 O Rh -","- C160 H216 N12 O4 Rh4 -","4","1","","Galiana-Cameo, María; Urriolabeitia, Asier; Barrenas, Eduardo; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Di Giuseppe, Andrea; Polo, Víctor; Castarlenas, Ricardo","Metal‒Ligand Cooperative Proton Transfer as an Efficient Trigger for Rhodium-NHC-Pyridonato Catalyzed gem-Specific Alkyne Dimerization","ACS Catalysis","2021","11","12","7553","7567","10.1021/acscatal.1c00602","","","0.71073","MoKα","","0.0366","0.0282","","","0.06","0.0635","","","","","","1.041","","","","has coordinates,has disorder","266963","2021-07-04","01:37:01",""
"4518812","18.0282","0.0008","18.0282","0.0008","13.0723","0.0008","90","","90","","120","","3679.5","0.3","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C43 H75 Cl Cu6 N10 O30 S6 Sr -","- C42.999 H36 Cl0.9999 Cu6 N9.9996 O24 S6 Sr -","- C85.998 H72 Cl1.9998 Cu12 N19.9992 O48 S12 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.71073","MoKα","","0.106","0.0835","","","0.2488","0.2761","","","","","","1.075","","","","has coordinates","266947","2021-07-04","01:24:19",""
"4518813","18.009","0.0008","18.009","0.0008","13.0756","0.0008","90","","90","","120","","3672.6","0.3","100","2","100","2","","","","","","","","8","P 63","P 6c","173","","","","- C43 H91 Cl Cu6 N10 O39 S7 Sr -","- C42.999 Cl0.9999 Cu6 N9.9996 O24 S6.9999 Sr -","- C85.998 Cl1.9998 Cu12 N19.9992 O48 S13.9998 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.71073","MoKα","","0.0949","0.0693","","","0.2149","0.2274","","","","","","1.575","","","","has coordinates","266947","2021-07-04","01:24:31",""
"4518814","17.8207","0.00005","17.8207","0.00005","12.9538","0.00006","90","","90","","120","","3562.68","0.02","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C33 H118 Cu6 N6 O57 S6 Sr -","- C33 H42 Cu6 N6 O21 S6 Sr -","- C66 H84 Cu12 N12 O42 S12 Sr2 -","2","0.333333","","Negro, Cristina; Martínez Pérez-Cejuela, Héctor; Simó-Alfonso, Ernesto F; Herrero-Martínez, José Manuel; Bruno, Rosaria; Armentano, Donatella; Ferrando-Soria, Jesús; Pardo, Emilio","Highly Efficient Removal of Neonicotinoid Insecticides by Thioether-Based (Multivariate) Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","24","28424","28432","10.1021/acsami.1c08833","","","0.6889","Synchrotron","","0.0929","0.0574","","","0.1718","0.1847","","","","","","0.976","","","","has coordinates","266947","2021-07-04","01:24:31",""
"4518815","7.42689","0.0001","8.53905","0.00015","13.3756","0.0002","82.1589","0.0014","76.4697","0.0013","88.4765","0.0012","817","0.02","160","2","160.15","","","","","","","","","6","P -1","-P 1","2","","C10H36Ba2N8O24P4","","- C10 H36 Ba2 N8 O24 P4 -","- C10 H36 Ba2 N8 O24 P4 -","- C10 H36 Ba2 N8 O24 P4 -","1","0.5","","Salmeia, Khalifah A.; Dolabella, Simone; Parida, Dambarudhar; Frankcombe, Terry J.; Afaneh, Akef T.; Cordova, Kyle E.; Al-Maythalony, Bassem; Zhao, Shanyu; Civioc, Romain; Marashdeh, Ali; Spingler, Bernhard; Frison, Ruggero; Neels, Antonia","Robust Barium Phosphonate Metal‒Organic Frameworks Synthesized under Aqueous Conditions","ACS Materials Letters","2021","","","1010","1015","10.1021/acsmaterialslett.1c00275","","","0.71073","MoKα","","0.0179","0.0161","","","0.0381","0.0386","","","","","","1.062","","","","has coordinates","266478","2021-06-15","21:42:50",""
"4518816","14.0869","0.0011","13.5308","0.001","7.0893","0.0005","90","","104.185","0.006","90","","1310.07","0.17","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","C10H18Ba2N8O16P4","","- C10 H20 Ba2 N8 O16 P4 -","- C10 H20 Ba2 N8 O16 P4 -","- C20 H40 Ba4 N16 O32 P8 -","2","0.5","","Salmeia, Khalifah A.; Dolabella, Simone; Parida, Dambarudhar; Frankcombe, Terry J.; Afaneh, Akef T.; Cordova, Kyle E.; Al-Maythalony, Bassem; Zhao, Shanyu; Civioc, Romain; Marashdeh, Ali; Spingler, Bernhard; Frison, Ruggero; Neels, Antonia","Robust Barium Phosphonate Metal‒Organic Frameworks Synthesized under Aqueous Conditions","ACS Materials Letters","2021","","","1010","1015","10.1021/acsmaterialslett.1c00275","","","0.71073","MoKα","","0.0311","0.0292","","","0.0886","0.0901","","","","","","1.134","","","","has coordinates","266479","2021-06-15","21:43:11",""
"4518817","20.401","","8.446","","18.581","","90","","122.18","","90","","2709.8","","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Br4 N2 Pb0.87 Sn0.14 -","- C20 H44 Br4 N2 Pb0.864 Sn0.136 -","- C80 H176 Br16 N8 Pb3.456 Sn0.544 -","4","0.5","","Fan, Liubing; Liu, Kunjie; Zeng, Qindan; Li, Mingyang; Cai, Hao; Zhou, Jun; He, Shihui; Zhao, Jing; Liu, Quanlin","Efficiency-Tunable Single-Component White-Light Emission Realized in Hybrid Halides Through Metal Co-Occupation","ACS Applied Materials & Interfaces","2021","13","25","29835","29842","10.1021/acsami.1c07636","","","0.71069","MoKα","","0.0548","0.0522","","","0.1318","0.1349","","","","","","1.05","","","","has coordinates","266952","2021-07-04","01:28:24",""
"4518818","16.8193","0.001","17.3271","0.001","21.1897","0.0015","107.161","0.008","99.537","0.007","100.103","0.007","5651.6","0.7","160","","160","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","- C156 H203 B2 F20 Fe12 N24 O40 -","1","0.5","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54187","CuKα","","0.1491","0.1049","","","0.281","0.3259","","","","","","1.037","","","","has coordinates,has disorder","266966","2021-07-04","01:39:57",""
"4518819","17.9936","0.0004","37.0613","0.0007","20.437","0.0014","90","","113.409","0.008","90","","12507","1.2","163","","163","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 H131 B3 F18 Fe6 N13 O14 -","- C116 H131 B3 F18 Fe6 N13 O14 -","- C464 H524 B12 F72 Fe24 N52 O56 -","4","1","","De Silva, D. Nirosha T.; Dais, Tyson N.; Jameson, Geoffrey B.; Cutler, Daniel J.; Brechin, Euan K.; Davies, Casey G.; Jameson, Guy N. L.; Plieger, Paul G.","Synthesis and Characterization of Symmetrically versus Unsymmetrically Proton-Bridged Hexa-Iron Clusters","ACS Omega","2021","6","25","16661","16669","10.1021/acsomega.1c02255","","","1.54178","CuKα","","0.1894","0.1012","","","0.2518","0.3043","","","","","","0.97","","","","has coordinates,has disorder","266966","2021-07-04","01:40:10",""
"4518820","6.5335","0.0004","9.7082","0.0006","21.2586","0.0013","90","","90","","90","","1348.4","0.14","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0302","0.0299","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518821","5.5908","0.0006","12.4361","0.0012","16.2473","0.0015","90","","90","","90","","1129.64","0.19","237","2","237","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0304","0.0295","","","0.072","0.0726","","","","","","1.054","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518822","9.7823","0.0005","6.7565","0.0003","11.0023","0.0005","90","","90.42","0.002","90","","727.17","0.06","246","2","246","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0329","0.0321","","","0.0787","0.0796","","","","","","1.084","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518823","5.5111","0.0002","13.0823","0.0004","19.6436","0.0006","90","","90","","90","","1416.26","0.08","155","2","155","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0298","0.0292","","","0.0777","0.0782","","","","","","1.065","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518824","6.5561","0.0007","10.1014","0.0013","22.992","0.002","90","","90","","90","","1522.7","0.3","267","2","267","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0482","0.0433","","","0.1126","0.1179","","","","","","1.044","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518825","7.7829","0.0003","6.2561","0.0003","14.2118","0.0006","90","","91.797","0.002","90","","691.64","0.05","270","2","270","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0373","0.0337","","","0.0874","0.0903","","","","","","1.082","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518826","10.2602","0.0009","10.2602","0.0009","61.043","0.005","90","","90","","120","","5565.2","0.8","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C16 H19 Br Mn N3 O3 -","- C16 H19 Br Mn N3 O3 -","- C192 H228 Br12 Mn12 N36 O36 -","12","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0479","0.039","","","0.1022","0.1068","","","","","","1","","","","has coordinates","266956","2021-07-04","01:31:59",""
"4518827","13.1249","0.001","18.8575","0.0014","20.0527","0.0015","90","","90","","90","","4963.1","0.6","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Mn N3 O3 -","- C21 H19 Br Mn N3 O3 -","- C168 H152 Br8 Mn8 N24 O24 -","8","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0458","0.0389","","","0.0938","0.0964","","","","","","1.098","","","","has coordinates","266956","2021-07-04","01:32:00",""
"4518828","29.0406","0.0016","16.9643","0.0009","19.5677","0.0011","90","","102.448","0.001","90","","9413.5","0.9","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H61 Hf N O2 -","- C55 H61 Hf N O2 -","- C440 H488 Hf8 N8 O16 -","8","1","","Goryunov, Georgy P.; Sharikov, Mikhail I.; Iashin, Andrei N.; Canich, Jo Ann M.; Mattler, Sarah J.; Hagadorn, John R.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Rigid Postmetallocene Catalysts for Propylene Polymerization: Ligand Design Prevents the Temperature-Dependent Loss of Stereo- and Regioselectivities","ACS Catalysis","2021","11","13","8079","8086","10.1021/acscatal.1c01611","","","0.71073","MoKα","","0.027","0.0218","","","0.049","0.0517","","","","","","1.027","","","","has coordinates","266957","2021-07-04","01:32:31",""
"4518829","10.9084","0.0001","11.7353","0.0002","16.7685","0.0002","90","","90","","90","","2146.59","0.05","297","","297","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N4 O2 -","- C22 H29 Cl N4 O2 -","- C88 H116 Cl4 N16 O8 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0388","0.0376","","","0.1045","0.1055","","","","","","1.051","","","","has coordinates,has disorder","266958","2021-07-04","01:33:09",""
"4518830","19.2893","0.0001","19.2893","0.0001","6.0504","0.0001","90","","90","","90","","2251.22","0.04","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H24 Cl N3 O3 -","- C23 H24 Cl N3 O3 -","- C92 H96 Cl4 N12 O12 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.039","0.0363","","","0.098","0.0998","","","","","","1.047","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518831","14.6667","0.0002","15.3682","0.0002","23.1466","0.0003","90","","90","","90","","5217.26","0.12","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H65 Cl3 N8 O5 -","- C55 H65 Cl3 N8 O5 -","- C220 H260 Cl12 N32 O20 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0519","0.0503","","","0.1373","0.1391","","","","","","1.037","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518832","18.9312","0.0009","7.1744","0.0003","20.7067","0.0009","90","","113.281","0.001","90","","2583.4","0.2","293.34","","293.34","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 O4 S -","- C32 H24 N2 O4 S -","- C128 H96 N8 O16 S4 -","4","1","","Cao, Dongdong; Chen, Gang; Chen, Dingben; Xia, Zhijun; Li, Zongyang; Wang, Yi; Xu, Dongqing; Yang, Jianguo","Synthesis of 4-Hydroxycarbazole Derivatives by Benzannulation of 3-Nitroindoles with Alkylidene Azlactones","ACS Omega","2021","","","","","10.1021/acsomega.1c01992","","","0.71073","MoKα","","0.0773","0.0629","","","0.1523","0.1609","","","","","","1.122","","","","has coordinates","266688","2021-06-25","21:35:15",""
"4518833","18.7939","0.001","22.4746","0.0012","10.3719","0.0005","90","","90","","90","","4380.9","0.4","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","voacamine","","","- C43 H57 N4 O7.5 -","- C43 H52 N4 O7.5 -","- C172 H208 N16 O30 -","4","1","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","","1.54178","CuKα","","0.1552","0.1276","","","0.34","0.3659","","","","","","1.071","","","","has coordinates,has disorder","266689","2021-06-25","21:36:05",""
"4518834","21.993","0.003","54.505","0.006","10.1583","0.0011","90","","90","","90","","12177","3","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","voacamine","","","- C43 H54 N4 O6 -","- C43 H54 N4 O6 -","- C516 H648 N48 O72 -","12","3","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","","1.54178","CuKα","","0.1788","0.0877","","","0.1811","0.2249","","","","","","0.988","","","","has coordinates,has disorder","266689","2021-06-25","21:36:06",""
"4518835","9.386","0.0005","10.6137","0.0008","18.3018","0.001","90","","90","","90","","1823.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O -","- C20 H27 Cl N2 O -","- C80 H108 Cl4 N8 O4 -","4","1","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","x-ray","1.54178","CuKα","","0.0632","0.0604","","","0.1459","0.1482","","","","","","1.085","","","","has coordinates,has disorder","266690","2021-06-25","21:36:35",""
"4518836","6.5187","0.0011","9.1305","0.0016","15.218","0.003","80.786","0.016","77.885","0.016","73.818","0.015","845.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","DBFTFQ","","- C23 H11 F4 O2 -","- C23 H11 F4 O2 -","- C46 H22 F8 O4 -","2","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.075","0.05","","","0.1056","0.1263","","","","","","1.058","","","","has coordinates","266700","2021-06-26","00:29:29",""
"4518837","10.759","0.003","17.616","0.004","23.624","0.006","90","","90","","90","","4477","2","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.1487","0.0824","","","0.1726","0.2084","","","","","","1.131","","","","has coordinates","266701","2021-06-26","00:30:03",""
"4518838","10.7705","0.0019","17.623","0.003","23.643","0.004","90","","90","","90","","4487.6","1.3","296","2","296","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.0917","0.0499","","","0.1338","0.1612","","","","","","0.878","","","","has coordinates","266702","2021-06-26","00:30:21",""
"4518839","7.3722","0.0005","9.069","0.001","14.8974","0.0014","94.027","0.009","99.706","0.007","91.048","0.007","978.88","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","DBFTCQ","","- C23 H11 Cl4 O2 -","- C23 H11 Cl4 O2 -","- C46 H22 Cl8 O4 -","2","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.1182","0.0637","","","0.1385","0.1753","","","","","","1.052","","","","has coordinates","266703","2021-06-26","00:30:45",""
"4518840","10.7726","0.0004","17.6372","0.0007","23.6168","0.0008","90","","90","","90","","4487.2","0.3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Barman, Debasish; Gopikrishna, Peddaboodi; Iyer, Parameswar Krishnan","Stimuli-Responsive Trimorphs and Charge-Transfer Complexes of a Twisted Molecular Donor.","Langmuir : the ACS journal of surfaces and colloids","2021","","","","","10.1021/acs.langmuir.1c01172","","","0.71073","MoKα","","0.0869","0.0503","","","0.1386","0.1708","","","","","","0.932","","","","has coordinates","266704","2021-06-26","00:31:08",""
"4518841","17.1759","0.0003","18.9809","0.0004","19.2456","0.0003","71.1697","0.0016","82.1883","0.0013","65.9852","0.0017","5424.41","0.19","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C168 H280 Cl8 N32 O24 Se8 Si16 -","8","4","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71073","MoKα","","0.0695","0.0418","","","0.0713","0.0777","","","","","","1.008","","","","has coordinates","266738","2021-06-28","21:33:24",""
"4518842","22.866","0.003","9.3514","0.0007","25.515","0.002","90","","90.893","0.009","90","","5455.2","0.9","103","","103","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C168 H280 Cl8 N32 O24 Se8 Si16 -","8","2","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","1.54184","CuKα","","0.1681","0.0979","","","0.2429","0.2819","","","","","","1.038","","","","has coordinates","266739","2021-06-28","21:34:00",""
"4518843","11.39","0.003","5.9749","0.0019","12.292","0.003","90","","107.52","0.03","90","","797.7","0.4","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","2b","(3R,4R/3S,4S)-Tetrahydroselenophene-3,4-diyl dibenzoate","","- C18 H16 O4 Se -","- C18 H16 O4 Se -","- C36 H32 O8 Se2 -","2","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71075","MoKα","","0.1855","0.1348","","","0.3477","0.3988","","","","","","1.067","","","","has coordinates","266740","2021-06-28","21:34:23",""
"4518844","9.7088","0.0011","10.2175","0.0009","21.667","0.002","90","","96.632","0.004","90","","2135","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4b'","(3R,4R/3S,4S)-Tetrahydroselenophene-2,3,4-triyl tribenzoate","","- C25 H20 O6 Se -","- C25 H20 O6 Se -","- C100 H80 O24 Se4 -","4","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71075","MoKα","","0.0592","0.0372","","","0.0873","0.0982","","","","","","1.042","","","","has coordinates","266741","2021-06-28","21:35:04",""
"4518845","18.7678","0.0005","9.517","0.0002","15.5255","0.0005","90","","110.018","0.003","90","","2605.52","0.13","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C84 H140 Cl4 N16 O12 Se4 Si8 -","4","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71073","MoKα","","0.0564","0.0397","","","0.0758","0.0803","","","","","","1.04","","","","has coordinates","266742","2021-06-28","21:35:28",""
"4518846","8.8839","0.0002","9.592","0.0002","17.6313","0.0005","84.285","0.002","80.343","0.002","63.044","0.002","1319.76","0.06","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl N4 O3 Se Si2 -","- C21 H35 Cl N4 O3 Se Si2 -","- C42 H70 Cl2 N8 O6 Se2 Si4 -","2","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","0.71073","MoKα","","0.0961","0.0765","","","0.2473","0.2908","","","","","","1.159","","","","has coordinates","266743","2021-06-28","21:35:54",""
"4518847","8.5156","0.0004","14.64","0.0004","20.2074","0.0005","90","","90","","90","","2519.22","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","10a","(3R,4R/3S,4S)-2-Acetamidotetrahydroselenophene-3,4-diyl diacetate","","- C10 H15 N O5 Se -","- C10 H15 N O5 Se -","- C80 H120 N8 O40 Se8 -","8","1","","Iwaoka, Michio; Hiyoshi, Yuta; Arai, Shota; Ito, Takeru","Synthesis of 4-Selenothreofuranose Derivatives via Pummerer-Type Reactions of trans-3,4-Dioxygenated Tetrahydroselenophenes Mediated by a Selenonium Intermediate","ACS Omega","2021","","","","","10.1021/acsomega.1c02160","","","1.54187","CuKα","","0.0743","0.0671","","","0.1695","0.1775","","","","","","1.106","","","","has coordinates,has disorder","266744","2021-06-28","21:36:24",""
"4518848","17.1276","0.0012","17.7163","0.0012","17.8919","0.0013","112.381","0.002","115.776","0.002","90.585","0.002","4418.7","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 Cl3 F3 O10 P3 Pt S -","- C35 H35 Cl3 F3 O10 P3 Pt S -","- C140 H140 Cl12 F12 O40 P12 Pt4 S4 -","4","2","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0787","0.0593","","","0.1527","0.1675","","","","","","1.057","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518849","9.3276","0.0006","10.4475","0.0007","21.4237","0.0014","98.845","0.002","100.326","0.002","94.635","0.002","2016.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H35 F6 Fe O7 P3 Pt S2 -","- C38 H35 F6 Fe O7 P3 Pt S2 -","- C76 H70 F12 Fe2 O14 P6 Pt2 S4 -","2","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0478","0.0406","","","0.0908","0.0944","","","","","","1.095","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518850","12.0101","0.0007","13.0185","0.0008","20.5982","0.0012","89.708","0.003","73.604","0.003","66.285","0.003","2807.1","0.3","150","","150","","","","","","","","","10","P -1","-P 1","2","","","","- C55.5 H51 F6 Fe I N O7 P3 Pt S2 -","- C55.5 H51 F6 Fe I N O7 P3 Pt S2 -","- C111 H102 F12 Fe2 I2 N2 O14 P6 Pt2 S4 -","2","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","1.54184","CuKα","","0.0543","0.0515","","","0.1301","0.1331","","","","","","1.048","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518851","14.8139","0.0007","9.5761","0.0005","27.8457","0.0012","90","","102.566","0.002","90","","3855.6","0.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl4 F3 O4 P3 Pt S -","- C34 H32 Cl4 F3 O4 P3 Pt S -","- C136 H128 Cl16 F12 O16 P12 Pt4 S4 -","4","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","1.54178","CuKα","","0.0386","0.0358","","","0.1093","0.1117","","","","","","1.111","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518852","11.1267","0.0013","13.0225","0.0015","28.766","0.004","102.068","0.004","96.51","0.004","93.444","0.004","4034.6","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H35 Cl3 F3 O4 P3 Pt S -","- C38 H35 Cl3 F3 O4 P3 Pt S -","- C152 H140 Cl12 F12 O16 P12 Pt4 S4 -","4","2","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0792","0.0558","","","0.1163","0.125","","","","","","1.047","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518853","9.9852","0.0003","9.9852","0.0003","12.768","0.0004","90","","90","","90","","1273.02","0.07","150","2","150","","","","","","","","","3","P 43","P 4cw","78","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Pan, Yongkai; Wang, Donglei; Chen, Yunrong; Zhang, DeKun; Liu, Wei; Yang, Xiaoyu","Kinetic Resolution of α-Tertiary Propargylic Amines through Asymmetric Remote Aminations of Anilines","ACS Catalysis","2021","","","8443","8448","10.1021/acscatal.1c02331","","","1.54178","CuKα","","0.0479","0.0427","","","0.0982","0.103","","","","","","1.107","","","","has coordinates","266936","2021-07-03","19:32:07",""
"4518854","9.2006","0.0011","6.3392","0.0012","12.694","0.0018","90","","94.419","0.012","90","","738.2","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 F3 O -","- C17 H15 F3 O -","- C34 H30 F6 O2 -","2","1","","Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe","Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes","ACS Catalysis","2021","","","8527","8537","10.1021/acscatal.1c01483","","","0.71073","MoKα","","0.0779","0.0424","","","0.0818","0.1018","","","","","","1.041","","","","has coordinates","266937","2021-07-03","19:32:29",""
"4518855","6.3512","0.0005","15.7186","0.0013","17.6114","0.0017","95.974","0.007","99.576","0.007","94.985","0.007","1714.5","0.3","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H15 F3 N0 O0 -","- C22 H15 F3 -","- C88 H60 F12 -","4","4","","Zhang, Xinyu; Tian, Chunqi; Wang, Zhanjing; Sivaguru, Paramasivam; Nolan, Steven P.; Bi, Xihe","Fluoroalkyl N-Triftosylhydrazones as Easily Decomposable Diazo Surrogates for Asymmetric [2 + 1] Cycloaddition: Synthesis of Chiral Fluoroalkyl Cyclopropenes and Cyclopropanes","ACS Catalysis","2021","","","8527","8537","10.1021/acscatal.1c01483","","","0.71073","MoKα","","0.1254","0.0544","","","0.116","0.1529","","","","","","1.005","","","","has coordinates","266938","2021-07-03","19:32:54",""
"4518856","10.4985","0.0013","11.4124","0.001","13.4302","0.0012","79.15","0.007","89.525","0.008","79.395","0.009","1552.8","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","1","0.5","","So, Chau Ming; Yuen, On Ying; Ng, Shan Shan; Chen, Zicong","General Chemoselective Suzuki‒Miyaura Coupling of Polyhalogenated Aryl Triflates Enabled by an Alkyl-Heteroaryl-Based Phosphine Ligand","ACS Catalysis","2021","11","13","7820","7827","10.1021/acscatal.1c02146","","x-ray","0.71073","MoKα","","0.1135","0.0662","","","0.1031","0.1246","","","","","","0.998","","","","has coordinates","266939","2021-07-03","19:34:25",""
"4518857","18.9569","0.0014","14.9929","0.0011","23.8375","0.0018","90","","104.419","0.001","90","","6561.7","0.8","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H88 B2 N4 Na O5 Rh S2 -","- C73 H88 B2 N4 Na O5 Rh S2 -","- C292 H352 B8 N16 Na4 O20 Rh4 S8 -","4","1","","Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.","Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction","ACS Catalysis","2021","11","13","8155","8164","10.1021/acscatal.1c01527","","","0.71073","MoKα","","0.0602","0.0438","","","0.1067","0.1165","","","","","","1.032","","","","has coordinates,has disorder","266940","2021-07-03","19:34:48",""
"4518858","8.2674","0.0009","9.8268","0.001","10.9563","0.0011","116.565","0.0011","96.392","0.0012","103.022","0.0011","752.35","0.14","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H19 B F4 N O Rh S2 -","- C9 H19 B F4 N O Rh S2 -","- C18 H38 B2 F8 N2 O2 Rh2 S4 -","2","1","","Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.","Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction","ACS Catalysis","2021","11","13","8155","8164","10.1021/acscatal.1c01527","","","0.71073","MoKα","","0.0211","0.0204","","","0.0541","0.0546","","","","","","1.068","","","","has coordinates","266941","2021-07-03","19:35:10",""
"4518859","16.3353","0.0011","14.4426","0.0011","12.0371","0.0009","90","","90","","90","","2839.8","0.4","103","2","103","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H43 B F4 Mn N O2 P2 -","- C25 H43 B F4 Mn N O2 P2 -","- C100 H172 B4 F16 Mn4 N4 O8 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0556","0.0398","","","0.0715","0.0764","","","","","","0.994","","","","has coordinates,has disorder","266942","2021-07-03","19:36:19",""
"4518860","17.7198","0.0007","12.1114","0.0005","15.6986","0.0007","90","","112.202","0.002","90","","3119.3","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Mn N O5 P2 -","- C30 H50 Mn N O5 P2 -","- C120 H200 Mn4 N4 O20 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0722","0.04","","","0.0759","0.0863","","","","","","1.018","","","","has coordinates","266942","2021-07-03","19:36:20",""
"4518861","14.762","0.008","15.414","0.008","19.157","0.01","104.574","0.019","100.59","0.02","113.484","0.016","3666","3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 K Mn N O5.5 P2 -","- C32 H54 K Mn N O5.5 P2 -","- C128 H216 K4 Mn4 N4 O22 P8 -","4","2","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.1445","0.0838","","","0.1926","0.2324","","","","","","1.052","","","","has coordinates,has disorder","266942","2021-07-03","19:36:20",""
"4518862","40.52","0.005","11.0361","0.0012","29.824","0.003","90","","99.137","0.003","90","","13168","3","165","2","165","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H105 K Mn N O15 P2 -","- C58 H105 K Mn N O15 P2 -","- C464 H840 K8 Mn8 N8 O120 P16 -","8","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0599","0.0443","","","0.1209","0.1332","","","","","","1.056","","","","has coordinates,has disorder","266942","2021-07-03","19:36:20",""
"4518863","10.5231","0.0013","35.876","0.004","15.4557","0.0018","90","","99.269","0.007","90","","5758.8","1.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H49 B F20 N4 Zn -","- C63 H49 B F20 N4 Zn -","- C252 H196 B4 F80 N16 Zn4 -","4","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.0761","0.0523","","","0.1102","0.1188","","","","","","1.122","","","","has coordinates","267345","2021-07-07","21:33:54",""
"4518864","10.5845","0.0006","12.273","0.0007","16.9985","0.001","98.799","0.003","92.551","0.003","106.999","0.002","2077.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H57 N4 Zn -","- C42.5 H53 N4 Zn -","- C85 H106 N8 Zn2 -","2","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.042","0.0352","","","0.1009","0.104","","","","","","1.103","","","","has coordinates,has disorder","267345","2021-07-07","21:33:55",""
"4518865","12.0286","0.0018","15.196","0.002","17.896","0.003","92.842","0.007","101.515","0.007","100.685","0.007","3137","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 K N6 O6 Zn -","- C64 H93 K N6 O6 Zn -","- C128 H186 K2 N12 O12 Zn2 -","2","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.1132","0.0756","","","0.2174","0.2452","","","","","","1.081","","","","has coordinates","267345","2021-07-07","21:33:55",""
"4518866","10.5804","0.0014","17.603","0.002","18.015","0.002","93.949","0.005","100.383","0.005","104.21","0.005","3176.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H97 K N6 O7.5 Zn -","- C63 H97 K N6 O7.5 Zn -","- C126 H194 K2 N12 O15 Zn2 -","2","1","","Li, Bin; Geoghegan, Blaise L.; Wölper, Christoph; Cutsail, George E.; Schulz, Stephan","Redox Activity of Noninnocent 2,2′-Bipyridine in Zinc Complexes: An Experimental and Theoretical Study","ACS Omega","2021","","","","","10.1021/acsomega.1c02201","","","0.71073","MoKα","","0.0945","0.0638","","","0.1449","0.1637","","","","","","1.077","","","","has coordinates,has disorder","267345","2021-07-07","21:33:55",""
"4518867","16.956","0.0007","21.4248","0.0014","12.6214","0.0006","90","","121.167","0.003","90","","3923.3","0.4","103","2","103","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C48 H18 N3 Na2 O31 P3 Tb2 -","- C48 H18 N3 Na2 O31 P3 Tb2 -","- C96 H36 N6 Na4 O62 P6 Tb4 -","2","0.5","","Jia, Peng; Gao, Liang; Zheng, Yan; Zheng, Xian; Wang, Chang; Yang, Chaolong; Li, Youbing; Zhao, Yanli","Ultrastable Tb-Organic Framework as a Selective Sensor of Phenylglyoxylic Acid in Urine.","ACS applied materials & interfaces","2021","13","28","33546","33556","10.1021/acsami.1c09202","","","1.54178","CuKα","","0.0988","0.079","","","0.2103","0.2269","","","","","","1.042","","","","has coordinates,has disorder","267924","2021-08-03","23:28:15",""
"4518868","20.918","0.01","20.918","0.01","16.08","0.009","90","","90","","120","","6093","5","293","2","293","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C60 H15 Co2.04 N6 O16 V0.96 -","- C60 H15 Co2.04 N6 O16 V0.96 -","- C120 H30 Co4.08 N12 O32 V1.92 -","2","0.0833333","","Hong, Anh N.; Yang, Huajun; Li, Tong; Wang, Yong; Wang, Yanxiang; Jia, Xiaoxia; Zhou, Angel; Kusumoputro, Emily; Li, Jinping; Bu, Xianhui; Feng, Pingyun","Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c10391","","","0.71073","MoKα","","0.1159","0.0839","","","0.2516","0.2917","","","","","","1.174","","","","has coordinates","267401","2021-07-08","21:16:42",""
"4518869","16.799","0.005","16.799","0.005","20.706","0.007","90","","90","","120","","5061","3","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H30 Co1.98 N6 O13 V1.02 -","- C54 H30 Co1.98 N6 O13 V1.02 -","- C108 H60 Co3.96 N12 O26 V2.04 -","2","0.0833333","","Hong, Anh N.; Yang, Huajun; Li, Tong; Wang, Yong; Wang, Yanxiang; Jia, Xiaoxia; Zhou, Angel; Kusumoputro, Emily; Li, Jinping; Bu, Xianhui; Feng, Pingyun","Pore-Space Partition and Optimization for Propane-Selective High-Performance Propane/Propylene Separation","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c10391","","","0.71073","MoKα","","0.1133","0.0905","","","0.2327","0.2513","","","","","","1.096","","","","has coordinates","267401","2021-07-08","21:16:43",""
"4518870","5.9302","0.0003","21.3945","0.001","13.9168","0.0006","90","","95.871","0.001","90","","1756.41","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","2","","Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana","Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates","ACS Catalysis","2021","","","8968","8977","10.1021/acscatal.1c01826","","","0.71073","MoKα","","0.1011","0.0546","","","0.1044","0.1208","","","","","","1.023","","","","has coordinates","267402","2021-07-08","21:30:50",""
"4518871","6.2331","0.0009","10.6409","0.0016","14.154","0.002","100.755","0.004","94.852","0.003","105.369","0.003","880.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C44 H34 N2 O8 -","2","1","","Medina-Mercado, Ignacio; Colin-Molina, Abraham; Barquera-Lozada, José Enrique; Rodríguez-Molina, Braulio; Porcel, Susana","Gold-Catalyzed Ascorbic Acid-Induced Arylative Carbocyclization of Alkynes with Aryldiazonium Tetrafluoroborates","ACS Catalysis","2021","","","8968","8977","10.1021/acscatal.1c01826","","","0.71073","MoKα","","0.2369","0.0819","","","0.1567","0.2115","","","","","","0.983","","","","has coordinates","267403","2021-07-08","21:31:33",""
"4518872","11.4744","0.0001","17.1601","0.0002","12.5381","0.0002","90","","113.976","0.002","90","","2255.76","0.06","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C100 H100 Ir4 N16 O2 -","- C100 H100 Ir4 N16 O2 -","- C100 H100 Ir4 N16 O2 -","1","0.25","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0254","0.0208","","","0.0468","0.0493","","","","","","1.065","","","","has coordinates,has disorder","267404","2021-07-08","21:32:03",""
"4518873","10.5762","0.0002","12.2061","0.0002","34.8949","0.0006","90","","90","","90","","4504.73","0.14","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 Cl Ir N4 O -","- C24 H26 Cl Ir N4 O -","- C192 H208 Cl8 Ir8 N32 O8 -","8","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0393","0.0294","","","0.0617","0.0661","","","","","","1.064","","","","has coordinates","267405","2021-07-08","21:32:34",""
"4518874","18.708","0.0003","9.78149","0.00014","24.7192","0.0004","90","","90","","90","","4523.42","0.12","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H23 Br Cl Ir N4 -","- C23 H23 Br Cl Ir N4 -","- C184 H184 Br8 Cl8 Ir8 N32 -","8","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0627","0.0354","","","0.055","0.0626","","","","","","1.046","","","","has coordinates","267406","2021-07-08","21:33:03",""
"4518875","9.3205","0.0002","24.9862","0.0002","15.3632","0.0003","90","","131.483","0.004","90","","2680.35","0.18","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Ir N4 O2 -","- C28 H27 Ir N4 O2 -","- C112 H108 Ir4 N16 O8 -","4","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","1.54184","CuKα","","0.0296","0.0287","","","0.0655","0.066","","","","","","1.091","","","","has coordinates,has disorder","267407","2021-07-08","21:33:49",""
"4518876","11.74509","0.00017","12.84178","0.00011","22.3981","0.0003","83.3036","0.0011","84.813","0.0012","72.8119","0.0011","3199.79","0.07","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C55 H60 F9 Ir2 N10 O12 S3 -","- C55 H60 F9 Ir2 N10 O12 S3 -","- C110 H120 F18 Ir4 N20 O24 S6 -","2","1","","Alshakova, Iryna D.; Albrecht, Martin","Cascade Reductive Friedel‒Crafts Alkylation Catalyzed by Robust Iridium(III) Hydride Complexes Containing a Protic Triazolylidene Ligand","ACS Catalysis","2021","","","8999","9007","10.1021/acscatal.1c00740","","x-ray","0.71073","MoKα","","0.0446","0.0362","","","0.0812","0.0864","","","","","","1.05","","","","has coordinates","267408","2021-07-08","21:34:24",""
"4518877","35.658","0.004","12.1247","0.0013","20.754","0.003","90","","119.477","0.0014","90","","7811.4","1.7","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H108 F24 N12 O12 P4 Pt4 Rh2 -","- C44 H108 F24 N12 O12 P4 Pt4 Rh2 -","- C176 H432 F96 N48 O48 P16 Pt16 Rh8 -","4","0.5","","Uemura, Kazuhiro; Yasuda, Erina; Sugiyama, Yuko","Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties","ACS Omega","2021","","","","","10.1021/acsomega.1c02634","","","0.7107","MoKα","","0.0387","0.0347","","","0.0795","0.0822","","","","","","1.066","","","","has coordinates","267410","2021-07-08","21:42:14",""
"4518878","12.68","0.0016","12.8383","0.0015","15.356","0.002","80.918","0.005","89.778","0.006","64.518","0.003","2222.6","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H124 F18 N12 O14 P3 Pt4 Rh2 -","- C52 H124 F18 N12 O14 P3 Pt4 Rh2 -","- C52 H124 F18 N12 O14 P3 Pt4 Rh2 -","1","0.5","","Uemura, Kazuhiro; Yasuda, Erina; Sugiyama, Yuko","Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties","ACS Omega","2021","","","","","10.1021/acsomega.1c02634","","","0.7107","MoKα","","0.0521","0.045","","","0.1087","0.117","","","","","","1.105","","","","has coordinates","267411","2021-07-08","21:42:32",""
"4518879","10.799","0.003","14.482","0.004","15.787","0.005","77.164","0.009","89.966","0.011","77.378","0.008","2346.1","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H140 Cl4 N12 O28 Pt4 Rh2 -","- C60 H140 Cl4 N12 O28 Pt4 Rh2 -","- C60 H140 Cl4 N12 O28 Pt4 Rh2 -","1","0.5","","Uemura, Kazuhiro; Yasuda, Erina; Sugiyama, Yuko","Improving the Solubility of Hexanuclear Heterometallic Extended Metal Atom Chain Compounds in Nonpolar Solvents by Introducing Alkyl Amine Moieties","ACS Omega","2021","","","","","10.1021/acsomega.1c02634","","","0.7107","MoKα","","0.0935","0.062","","","0.1092","0.1319","","","","","","1.199","","","","has coordinates","267412","2021-07-08","21:42:48",""
"4518880","13.8594","0.001","19.0914","0.0013","16.2268","0.0011","90","","103","0.002","90","","4183.5","0.5","200","2","200.05","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mn N4 O S4 -","- C44 H47 Mn N4 O S4 -","- C176 H188 Mn4 N16 O4 S16 -","4","1","","Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom","Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway","ACS Catalysis","2021","","","9043","9051","10.1021/acscatal.1c02238","","","0.71073","MoKα","","0.0623","0.0468","","","0.1225","0.1375","","","","","","1.048","","","","has coordinates","267441","2021-07-09","21:27:27",""
"4518881","11.3144","0.0019","11.4859","0.0018","12.22","0.002","88.259","0.005","81.481","0.005","65.401","0.004","1427.1","0.4","203.65","","203.65","","","","","","","","","5","P -1","-P 1","2","","MnC30N2S4H32","","- C30 H32 Mn N2 S4 -","- C30 H32 Mn N2 S4 -","- C60 H64 Mn2 N4 S8 -","2","1","","Elsby, Matthew R.; Son, Mina; Oh, Changjin; Martin, Jessica; Baik, Mu-Hyun; Baker, R. Tom","Mechanistic Study of Metal‒Ligand Cooperativity in Mn(II)-Catalyzed Hydroborations: Hemilabile SNS Ligand Enables Metal Hydride-Free Reaction Pathway","ACS Catalysis","2021","","","9043","9051","10.1021/acscatal.1c02238","","","0.71073","MoKα","","0.0878","0.0464","","","0.096","0.1103","","","","","","0.975","","","","has coordinates","267442","2021-07-09","21:27:51",""
"4518882","9.3942","0.0003","10.1393","0.0003","16.2354","0.0005","97.191","0.001","100.275","0.001","105.856","0.001","1438.82","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N2 O4 Si -","- C31 H34 N2 O4 Si -","- C62 H68 N4 O8 Si2 -","2","1","","Wang, Jinlei; Chen, Haohua; Kong, Lingheng; Wang, Fen; Lan, Yu; Li, Xingwei","Enantioselective and Diastereoselective C‒H Alkylation of Benzamides: Synergized Axial and Central Chirality via a Single Stereodetermining Step","ACS Catalysis","2021","","","9151","9158","10.1021/acscatal.1c02450","","","0.71073","MoKα","","0.0593","0.0494","","","0.13","0.1398","","","","","","1.039","","","","has coordinates,has disorder","267443","2021-07-09","21:28:13",""
"4518883","16.6706","0.0012","16.6706","0.0013","17.7165","0.0012","65.501","0.003","65.445","0.003","69.98","0.004","3988.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N4 O18 Zn3 -","- C30 H23 N4 O18 Zn3 -","- C60 H46 N8 O36 Zn6 -","2","1","","Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih","Oxalamide-Functionalized Metal Organic Frameworks for CO<sub>2</sub> Adsorption.","ACS applied materials & interfaces","2021","13","28","33188","33198","10.1021/acsami.1c11330","","","0.71073","MoKα","","0.3216","0.1733","","","0.4136","0.5072","","","","","","1.086","","","","has coordinates","267925","2021-08-03","23:28:30",""
"4518884","10.2148","0.0005","10.2225","0.0005","14.605","0.0009","74.713","0.002","73.547","0.002","84.322","0.001","1410.38","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 Cd N3 O10 -","- C20 H17 Cd N3 O10 -","- C40 H34 Cd2 N6 O20 -","2","1","","Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih","Oxalamide-Functionalized Metal Organic Frameworks for CO<sub>2</sub> Adsorption.","ACS applied materials & interfaces","2021","13","28","33188","33198","10.1021/acsami.1c11330","","","0.71073","MoKα","","0.0628","0.0569","","","0.1368","0.1421","","","","","","1.15","","","","has coordinates","267925","2021-08-03","23:28:35",""
"4518885","14.0184","0.0002","12.9591","0.0003","26.4631","0.0005","90","","90.9254","0.0015","90","","4806.81","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.15 H31.67 Co2 N5.38 O16 -","- C28.146 H31.674 Co2 N5.382 O15.998 -","- C112.584 H126.696 Co8 N21.528 O63.992 -","4","1","","Güçlü, Yunus; Erer, Hakan; Demiral, Hakan; Altintas, Cigdem; Keskin, Seda; Tumanov, Nikolay; Su, Bao-Lian; Semerci, Fatih","Oxalamide-Functionalized Metal Organic Frameworks for CO<sub>2</sub> Adsorption.","ACS applied materials & interfaces","2021","13","28","33188","33198","10.1021/acsami.1c11330","","","1.54184","CuKα","","0.0909","0.076","","","0.2127","0.2244","","","","","","1.061","","","","has coordinates,has disorder","267925","2021-08-03","23:28:35",""
"4518886","18.627","0.003","6.7071","0.0012","17.181","0.004","90","","95.763","0.016","90","","2135.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Yang, Jian; Zhao, He; Tan, Zhenda; Cao, Liang; Jiang, Huanfeng; Ci, Chenggang; Dixneuf, Pierre H.; Zhang, Min","syn-Selective Construction of Fused Heterocycles by Catalytic Reductive Tandem Functionalization of N-Heteroarenes","ACS Catalysis","2021","","","9271","9278","10.1021/acscatal.1c01328","","","0.71073","MoKα","","0.185","0.073","","","0.1553","0.2036","","","","","","1.019","","","","has coordinates","267469","2021-07-12","21:33:17",""
"4518887","11.397","0.002","19.505","0.004","15.746","0.003","90","","96.071","0.003","90","","3480.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H36 Cl2 Os P2 -","- C35 H36 Cl2 Os P2 -","- C140 H144 Cl8 Os4 P8 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0412","0.0352","","","0.0757","0.0778","","","","","","1.081","","","","has coordinates","267471","2021-07-12","21:43:11",""
"4518888","10.624","0.002","20.878","0.006","16.83","0.004","90","","106.056","0.003","90","","3587.4","1.5","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H32 Cl4 Ge Os P2 -","- C35 H32 Cl4 Ge Os P2 -","- C140 H128 Cl16 Ge4 Os4 P8 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.032","0.0312","","","0.0757","0.0761","","","","","","0.967","","","","has coordinates,has disorder","267471","2021-07-12","21:43:12",""
"4518889","9.31","0.0017","20.888","0.004","14.114","0.003","90","","104.53","0.003","90","","2656.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl4 Ge Os P -","- C24 H21 Cl4 Ge Os P -","- C96 H84 Cl16 Ge4 Os4 P4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0752","0.0716","","","0.1328","0.1341","","","","","","1.336","","","","has coordinates","267471","2021-07-12","21:43:12",""
"4518890","10.579","0.002","21.025","0.006","16.813","0.004","90","","105.954","0.003","90","","3595.6","1.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H36 Cl4 Os P2 Sn -","- C35 H36 Cl4 Os P2 Sn -","- C140 H144 Cl16 Os4 P8 Sn4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0225","0.0217","","","0.0501","0.0506","","","","","","0.704","","","","has coordinates,has disorder","267471","2021-07-12","21:43:12",""
"4518891","14.752","0.003","10.517","0.002","18.496","0.003","90","","90","","90","","2869.6","0.9","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C28 H29 Cl4 Os P Sn -","- C28 H29 Cl4 Os P Sn -","- C112 H116 Cl16 Os4 P4 Sn4 -","4","1","","Nabiyeva, Tomiris; Roufosse, Basile; Odachowski, Matylda; Baumgartner, Judith; Marschner, Christoph; Verma, Akalesh Kumar; Blom, Burgert","Osmium Arene Germyl, Stannyl, Germanate, and Stannate Complexes as Anticancer Agents","ACS Omega","2021","","","","","10.1021/acsomega.1c02665","","","0.71073","MoKα","","0.0668","0.0631","","","0.1386","0.1406","","","","","","1.211","","","","has coordinates","267471","2021-07-12","21:43:12",""
"4518892","34.215","0.002","31.0051","0.0018","11.7278","0.0008","90","","90","","90","","12441.3","1.3","100.15","","100.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H28 N6 O8 Zn2 -","- C46 H28 N6 O8 Zn2 -","- C368 H224 N48 O64 Zn16 -","8","1","","Goswami, Ranadip; Das, Sandeep; Seal, Nilanjan; Pathak, Biswarup; Neogi, Subhadip","High-Performance Water Harvester Framework for Triphasic and Synchronous Detection of Assorted Organotoxins with Site-Memory-Reliant Security Encryption via pH-Triggered Fluoroswitching.","ACS applied materials & interfaces","2021","13","29","34012","34026","10.1021/acsami.1c05088","","","0.71073","MoKα","","0.0993","0.0628","","","0.1603","0.1758","","","","","","0.8044","","","","has coordinates","267922","2021-08-03","23:27:49",""
"4518893","17.7594","0.0006","10.3516","0.0003","21.1291","0.0007","90","","98.278","0.001","90","","3843.9","0.2","","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C76 H70 Cl10 Li2 N2 O10 Ru2 -","- C76 H70 Cl10 Li2 N2 O10 Ru2 -","- C152 H140 Cl20 Li4 N4 O20 Ru4 -","2","0.5","","Chen, Qiongyao; Shen, Chaoren; Zhu, Gangli; Zhang, Xuehua; Lv, Chun-Lin; Zeng, Bo; Wang, Sen; Li, Junfen; Fan, Weibin; He, Lin","Selectivity Switching of CO2 Hydrogenation from HCOOH to CO with an In Situ Formed Ru‒Li Complex","ACS Catalysis","2021","","","9390","9396","10.1021/acscatal.1c01874","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","267532","2021-07-14","21:31:59",""
"4518894","11.1701","0.0003","21.3786","0.0005","18.8905","0.0005","90","","90.194","0.002","90","","4511","0.2","160","15","160","15","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 F3 N4 Na O14 S -","- C45 H50 F3 N4 Na O14 S -","- C180 H200 F12 N16 Na4 O56 S4 -","4","1","","Yang, Han; Poznik, Michal; Tang, Shaojian; Xue, Peng; Du, Lidong; Liu, Chenlu; Chen, Xiaochuan; Chruma, Jason J.","Synthesis of Conformationally Liberated Yohimbine Analogues and Evaluation of Cytotoxic Activity","ACS Omega","2021","","","","","10.1021/acsomega.1c02784","","x-ray","1.54184","CuKα","","0.0681","0.0614","","","0.1681","0.1762","","","","","","1.031","","","","has coordinates,has disorder","267534","2021-07-14","21:41:54",""
"4518895","8.08181","0.00013","10.73068","0.00014","24.3476","0.0004","90","","90","","90","","2111.5","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Chen, Sijia; Zhang, Zhongchao; Jiang, Chongguo; Zhao, Chunbo; Luo, Haojie; Huang, Jun; Yang, Zhen","Stereoselective Synthesis of trans-Decalin-Based Spirocarbocycles via Photocyclization of 1,2-Diketones","ACS Omega","2021","","","","","10.1021/acsomega.1c02054","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0731","0.0734","","","","","","1.055","","","","has coordinates","267535","2021-07-14","21:42:28",""
"4518896","8.17106","0.00013","34.8703","0.0006","9.23924","0.00015","90","","91.1734","0.0015","90","","2631.96","0.08","100","0.1","100","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H28 O6 -","- C19 H28 O6 -","- C114 H168 O36 -","6","3","","Chen, Sijia; Zhang, Zhongchao; Jiang, Chongguo; Zhao, Chunbo; Luo, Haojie; Huang, Jun; Yang, Zhen","Stereoselective Synthesis of trans-Decalin-Based Spirocarbocycles via Photocyclization of 1,2-Diketones","ACS Omega","2021","","","","","10.1021/acsomega.1c02054","","x-ray","1.54184","CuKα","","0.035","0.0346","","","0.0905","0.0908","","","","","","1.043","","","","has coordinates","267536","2021-07-14","21:42:54",""
"4518897","10.9971","0.0002","12.8967","0.0003","23.2972","0.0005","90","","90","","90","","3304.16","0.12","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N4 O9 -","- C36 H38 N4 O9 -","- C144 H152 N16 O36 -","4","1","","Yasui, Takeshi; Tatsumi, Rine; Yamamoto, Yoshihiko","Highly Enantioselective [2+2+2] Cycloaddition of Enediynes Enabled by Cobalt/Organophotoredox Cooperative Catalysis","ACS Catalysis","2021","","","9479","9484","10.1021/acscatal.1c02410","","","1.54187","CuKα","","0.0439","0.0411","","","0.1126","0.1145","","","","","","1.034","","","","has coordinates","267563","2021-07-15","21:30:48",""
"4518898","26.4005","0.0007","17.3776","0.0008","47.1016","0.0008","90","","96.7506","0.0019","90","","21459.3","1.2","105","8","105","8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H248 N8 O84 S16 Zn16 -","- C256 H240 N8 O84 S16 Zn16 -","- C512 H480 N16 O168 S32 Zn32 -","2","0.5","","He, Can; Chen, Xuzhuo; Sun, Cheng-Zhe; Zhang, Li-Yi; Xu, Weifeng; Zhang, Shanyong; Wang, Zhenqiang; Dai, Feng-Rong","Decahexanuclear Zinc(II) Coordination Container Featuring a Flexible Tetracarboxylate Ligand: A Self-Assembly Supermolecule for Highly Efficient Drug Delivery of Anti-Inflammatory Agents.","ACS applied materials & interfaces","2021","13","29","33812","33820","10.1021/acsami.1c06311","","","1.3405","GaKα","","0.1349","0.0931","","","0.2318","0.259","","","","","","1.059","","","","has coordinates,has disorder","267923","2021-08-03","23:28:06",""
"4518899","17.5115","0.0007","10.169","0.0004","15.2635","0.0006","90","","112.764","0.001","90","","2506.32","0.17","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H25 F N2 O4 S -","- C29 H25 F N2 O4 S -","- C116 H100 F4 N8 O16 S4 -","4","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0267","","","0.0639","0.0663","","","","","","1.044","","","","has coordinates","267619","2021-07-17","21:30:59",""
"4518900","15.1894","0.0006","15.9729","0.0006","15.9472","0.0005","90","","90.194","0.002","90","","3869.1","0.2","220","2","220","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H23 N O2 S -","- C21 H23 N O2 S -","- C168 H184 N8 O16 S8 -","8","2","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","","0.031","0.0281","","","0.0791","0.0821","","","","","","1.055","","","","has coordinates","267621","2021-07-17","21:31:23",""
"4518901","9.641","0.0004","10.3467","0.0005","13.3148","0.0005","109.229","0.001","111.165","0.001","92.216","0.001","1150.61","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 F N O4 S -","- C24 H26 F N O4 S -","- C48 H52 F2 N2 O8 S2 -","2","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0387","0.0351","","","0.0855","0.0887","","","","","","1.036","","","","has coordinates,has disorder","267622","2021-07-17","21:31:45",""
"4518902","6.9804","0.0003","11.6735","0.0005","13.864","0.0006","87.741","0.001","84.853","0.001","74.465","0.001","1083.92","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H26 F N O4 S -","- C24 H26 F N O4 S -","- C48 H52 F2 N2 O8 S2 -","2","1","","Herbort, James H.; Lalisse, Remy F.; Hadad, Christopher M.; RajanBabu, T. V.","Cationic Co(I) Catalysts for Regiodivergent Hydroalkenylation of 1,6-Enynes: An Uncommon cis-β-C‒H Activation Leads to Z-Selective Coupling of Acrylates","ACS Catalysis","2021","","","9605","9617","10.1021/acscatal.1c02530","","x-ray","0.71073","MoKα","K-L~3~","0.0432","0.0328","","","0.079","0.0843","","","","","","1.036","","","","has coordinates","267623","2021-07-17","21:32:01",""
"4518903","8.4501","0.0015","5.9208","0.001","15.748","0.003","90","","99.991","0.008","90","","775.9","0.2","298.15","","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O2 -","- C8 H6 N2 O2 -","- C32 H24 N8 O8 -","4","1","","Wu, Cunluo; Bian, Qilong; Ding, Tao; Tang, Mingming; Zhang, Wenkai; Xu, Yuanqing; Liu, Baoying; Xu, Hao; Li, Hai-Bei; Fu, Hua","Photoinduced Iron-Catalyzed ipso-Nitration of Aryl Halides via Single-Electron Transfer","ACS Catalysis","2021","","","9561","9568","10.1021/acscatal.1c02272","","","1.54178","CuKα","","0.0598","0.0579","","","0.1499","0.1529","","","","","","1.094","","","","has coordinates","267624","2021-07-17","21:32:21",""
"4518904","5.2854","0.0014","12.56","0.003","14.308","0.004","90","","90","","90","","949.8","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F3 N7 O3 -","- C5 H4 F3 N7 O3 -","- C20 H16 F12 N28 O12 -","4","1","","Yan, Zhengfeng; Lu, Tingting; Liu, Yajing; Liu, Weixiao; Zhao, Baodong; Wang, Yinglei; Ge, Zhongxue","High Thermal Stability and Insensitive Fused Triazole-Triazine Trifluoromethyl-Containing Explosives (TFX)","ACS Omega","2021","","","","","10.1021/acsomega.1c01018","","","1.34139","GaKα","","0.0741","0.0713","","","0.2058","0.2129","","","","","","1.105","","","","has coordinates","267629","2021-07-18","21:37:28",""
"4518905","9.3857","0.0009","9.9771","0.0009","13.2225","0.0012","90","","100.721","0.002","90","","1216.57","0.19","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 Pd2 S2 -","- C22 H30 Cl2 Pd2 S2 -","- C44 H60 Cl4 Pd4 S4 -","2","0.5","","Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan","Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels","ACS Catalysis","2021","","","9738","9753","10.1021/acscatal.1c02808","","x-ray","0.71073","MoKα","","0.0347","0.0268","","","0.0649","0.0685","","","","","","1.078","","","","has coordinates","267642","2021-07-19","21:29:47",""
"4518906","10.4226","0.0005","10.7688","0.0006","16.5741","0.0009","95.359","0.001","97.322","0.001","110.059","0.001","1714.3","0.16","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H96 O8 Pd4 S4 -","- C64 H96 O8 Pd4 S4 -","- C64 H96 O8 Pd4 S4 -","1","0.5","","Saint-Denis, Tyler G.; Lam, Nelson Y. S.; Chekshin, Nikita; Richardson, Paul F.; Chen, Jason S.; Elleraas, Jeff; Hesp, Kevin D.; Schmitt, Daniel C.; Lian, Yajing; Huh, Chan Woo; Yu, Jin-Quan","Mechanistic Study of Enantioselective Pd-Catalyzed C(sp3)‒H Activation of Thioethers Involving Two Distinct Stereomodels","ACS Catalysis","2021","","","9738","9753","10.1021/acscatal.1c02808","","x-ray","0.71073","MoKα","","0.025","0.0216","","","0.0541","0.0567","","","","","","1.041","","","","has coordinates","267643","2021-07-19","21:30:05",""
"4518907","18.17","0.002","13.4052","0.0017","16.057","0.002","90","","113.391","0.002","90","","3589.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 N3 O4 Pt2 -","- C41 H33 N3 O4 Pt2 -","- C164 H132 N12 O16 Pt8 -","4","1","","Sun, Yuanhui; Liu, Bochen; Guo, Yue; Chen, Xi; Lee, Yi-Ting; Feng, Zhao; Adachi, Chihaya; Zhou, Guijiang; Chen, Zhao; Yang, Xiaolong","Developing Efficient Dinuclear Pt(II) Complexes Based on the Triphenylamine Core for High-Efficiency Solution-Processed OLEDs.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c06148","","","0.71073","MoKα","","0.0409","0.0298","","","0.0649","0.0718","","","","","","1.033","","","","has coordinates","267673","2021-07-21","21:17:27",""
"4518908","12.5726","0.0018","13.5006","0.0019","12.4306","0.0018","90","","109.967","0.003","90","","1983.1","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H27.5 Mg N2 O15.75 P4 -","- C8 H27.2 Mg N2 O15.75 P4 -","- C32 H108.8 Mg4 N8 O63 P16 -","4","1","","Barbosa, Jéssica S.; Pinto, Miguel; Barreiro, Sandra; Fernandes, Carlos; Mendes, Ricardo F.; Lavrador, Pedro; Gaspar, Vítor M.; Mano, João F.; Borges, Fernanda; Remião, Fernando; Braga, Susana S.; Paz, Filipe A. Almeida","Coordination Compounds As Multi-Delivery Systems for Osteoporosis","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c09121","","","0.71073","MoKα","","0.0496","0.0437","","","0.1135","0.1169","","","","","","1.154","","","","has coordinates,has disorder","267674","2021-07-21","21:17:59",""
"4518909","13.075","0.0018","9.6442","0.0013","16.634","0.002","90","","107.703","0.005","90","","1998.2","0.5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Thapa, Kedar Bahadur; Chen, Baojun; Bian, Li; Xu, Yixiu; He, Jiangang; Huang, Wei; Ju, Qiang; Fang, Zhenlan","Single-Metallic Thermoresponsive Coordination Network as a Dual-Parametric Luminescent Thermometer","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c07812","","","0.71073","MoKα","","0.1134","0.0579","","","0.1519","0.1866","","","","","","1.038","","","","has coordinates","267675","2021-07-21","21:18:24",""
"4518910","13.117","0.002","9.6735","0.0014","16.724","0.003","90","","107.702","0.005","90","","2021.6","0.6","295","2","295","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Thapa, Kedar Bahadur; Chen, Baojun; Bian, Li; Xu, Yixiu; He, Jiangang; Huang, Wei; Ju, Qiang; Fang, Zhenlan","Single-Metallic Thermoresponsive Coordination Network as a Dual-Parametric Luminescent Thermometer","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c07812","","","0.71073","MoKα","","0.1001","0.051","","","0.1019","0.1194","","","","","","1.082","","","","has coordinates","267676","2021-07-21","21:18:42",""
"4518911","13.115","0.002","9.6722","0.0013","16.721","0.003","90","","107.715","0.005","90","","2020.5","0.6","297","2","297","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Thapa, Kedar Bahadur; Chen, Baojun; Bian, Li; Xu, Yixiu; He, Jiangang; Huang, Wei; Ju, Qiang; Fang, Zhenlan","Single-Metallic Thermoresponsive Coordination Network as a Dual-Parametric Luminescent Thermometer","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c07812","","","0.71073","MoKα","","0.0999","0.0487","","","0.1026","0.1242","","","","","","1.001","","","","has coordinates","267677","2021-07-21","21:18:58",""
"4518912","13.0548","0.0018","9.6339","0.0012","16.609","0.002","90","","107.692","0.004","90","","1990.1","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H18 Br2 Cu2 N4 O2 -","- C16 H18 Br2 Cu2 N4 O2 -","- C64 H72 Br8 Cu8 N16 O8 -","4","1","","Thapa, Kedar Bahadur; Chen, Baojun; Bian, Li; Xu, Yixiu; He, Jiangang; Huang, Wei; Ju, Qiang; Fang, Zhenlan","Single-Metallic Thermoresponsive Coordination Network as a Dual-Parametric Luminescent Thermometer","ACS Applied Materials & Interfaces","2021","","","","","10.1021/acsami.1c07812","","","0.71073","MoKα","","0.1197","0.0584","","","0.1253","0.1487","","","","","","1.042","","","","has coordinates","267678","2021-07-21","21:19:14",""
"4518913","13.43","0.03","13.43","0.03","19.15","0.05","90","","90","","90","","3454","14","240","2","240","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 Se4 Zn -","- Ga Na3 Se4 Zn -","- Ga16 Na48 Se64 Zn16 -","16","0.5","","Balijapelly, Srikanth; Zhang, Qi; Sandineni, Prashanth; Adhikary, Amit; Mohapatra, Sudip; Sundaramoorthy, Santhoshkumar; Gerasimchuck, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units","ACS Applied Energy Materials","2021","","","","","10.1021/acsaem.1c01270","","","0.71073","MoKα","","0.0313","0.0229","","","0.0545","0.0566","","","","","","1.057","","","","has coordinates","267695","2021-07-22","21:11:53",""
"4518914","12.925","0.002","12.925","0.002","18.623","0.003","90","","90","","90","","3111.1","0.8","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- Ga Na3 S4 Zn -","- Ga Na3 S4 Zn -","- Ga16 Na48 S64 Zn16 -","16","0.5","","Balijapelly, Srikanth; Zhang, Qi; Sandineni, Prashanth; Adhikary, Amit; Mohapatra, Sudip; Sundaramoorthy, Santhoshkumar; Gerasimchuck, Nikolay; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","High Sodium-Ion Conductivity in Interlocked Quaternary Chalcogenides Built with Supertetrahedral Building Units","ACS Applied Energy Materials","2021","","","","","10.1021/acsaem.1c01270","","","0.71073","MoKα","","0.0279","0.0244","","","0.0621","0.0655","","","","","","1.087","","","","has coordinates","267696","2021-07-22","21:12:19",""
"4518915","16.9671","0.0005","27.5701","0.0004","38.6433","0.0006","70.405","0.002","84.524","0.002","88.416","0.002","16952","0.7","169.99","0.16","169.99","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C86.5 H82.85 Cl3.75 N6 O2 Se3 -","- C86.5 H82.8492 Cl3.75 N6 O2 Se3 -","- C692 H662.794 Cl30 N48 O16 Se24 -","8","4","","Cui, Linfeng; Gong, Yanjun; Yu, Xinting; Lv, Chunxiao; Du, Xiaoming; Zhao, Jincai; Che, Yanke","Development of a Fluorophore with Enhanced Unorthodox Chalcogen Bonding for Highly Sensitive Detection of Trimethyl Arsine Vapor","ACS Sensors","2021","","","","","10.1021/acssensors.1c01185","","x-ray","1.54184","CuKα","","0.2044","0.1447","","","0.385","0.4111","","","","","","2.097","","","","has coordinates,has disorder","267698","2021-07-22","22:11:01",""
"4518916","19.1376","0.0004","19.3087","0.0003","22.5989","0.0003","90.189","0.001","102.678","0.002","97.38","0.001","8075.4","0.2","170","0.13","170","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C179 H195 Cl9 N12 O4 S6 -","- C179 H195 Cl9 N12 O4 S6 -","- C358 H390 Cl18 N24 O8 S12 -","2","1","","Cui, Linfeng; Gong, Yanjun; Yu, Xinting; Lv, Chunxiao; Du, Xiaoming; Zhao, Jincai; Che, Yanke","Development of a Fluorophore with Enhanced Unorthodox Chalcogen Bonding for Highly Sensitive Detection of Trimethyl Arsine Vapor","ACS Sensors","2021","","","","","10.1021/acssensors.1c01185","","x-ray","1.54184","CuKα","","0.1169","0.0965","","","0.2712","0.2924","","","","","","1.027","","","","has coordinates,has disorder","267699","2021-07-22","22:11:33",""
"4518917","8.02112","0.00011","11.95004","0.00014","24.8127","0.0004","90","","94.4773","0.0013","90","","2371.11","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","4-nitrobenzyl ((2S,3S,4S,6R)-6-((tert-butyldimethylsilyl)oxy)-3-(((2S,4S,5R,6S)-4-((tert-butyldimethylsilyl)oxy)-4,6-dimethyl-5-((((4-nitrobenzyl)oxy)carbonyl)amino)tetrahydro-2H-pyran-2-yl)oxy)-2,4-dimethyltetrahydro-2H-pyran-4-yl)carbamate","","- C42 H66 N4 O13 Si2 -","- C42 H66 N4 O13 Si2 -","- C84 H132 N8 O26 Si4 -","2","1","","Huseman, Eric D.; Byl, Jo Ann W.; Chapp, Scott M.; Schley, Nathan D.; Osheroff, Neil; Townsend, Steven D.","Synthesis and Cytotoxic Evaluation of Arimetamycin A and Its Daunorubicin and Doxorubicin Hybrids","ACS Central Science","2021","","","","","10.1021/acscentsci.1c00040","","x-ray","1.54184","CuKα","","0.0338","0.0321","","","0.0812","0.0822","","","","","","1.026","","","","has coordinates","267721","2021-07-23","21:33:46",""
"4518918","5.2255","0.0002","5.2255","0.0002","8.8479","0.0006","90","","90","","120","","209.231","0.018","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 Cl K O6 -","- As4 Cl K O6 -","- As4 Cl K O6 -","1","0.0416667","","Domański, Mateusz A.; Kraszewski, Karol; Paluch, Piotr; Guńka, Piotr A.","Arsenic(III)-oxide Intercalates with Potassium Chloride: Water-Induced Varieties and New Synthesis Methods","Crystal Growth & Design","2021","","","","","10.1021/acs.cgd.1c00555","","x-ray","0.71073","MoKα","","0.0173","0.0169","","","0.0455","0.0456","","","","","","1.347","","","","has coordinates","267735","2021-07-24","22:20:35",""
"4518919","5.24015","0.00014","5.24015","0.00014","12.2944","0.0004","90","","90","","120","","292.365","0.015","293","2","293","2","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 K2 O7 -","- As4 Cl2 K2.0002 O7.0002 -","- As4 Cl2 K2.0002 O7.0002 -","1","0.0416667","","Domański, Mateusz A.; Kraszewski, Karol; Paluch, Piotr; Guńka, Piotr A.","Arsenic(III)-oxide Intercalates with Potassium Chloride: Water-Induced Varieties and New Synthesis Methods","Crystal Growth & Design","2021","","","","","10.1021/acs.cgd.1c00555","","x-ray","0.71073","MoKα","","0.0166","0.0153","","","0.0335","0.0339","","","","","","1.13","","","","has coordinates,has disorder","267735","2021-07-24","22:20:36",""
"4518920","5.2774","0.0002","5.2774","0.0002","8.3169","0.0006","90","","90","","120","","200.601","0.018","293","2","293","2","","","","","","","","4","P 6 m m","P 6 -2","183","","","","- As2 Cl K O6 -","- As2 Cl K O6 -","- As2 Cl K O6 -","1","0.0833333","","Domański, Mateusz A.; Kraszewski, Karol; Paluch, Piotr; Guńka, Piotr A.","Arsenic(III)-oxide Intercalates with Potassium Chloride: Water-Induced Varieties and New Synthesis Methods","Crystal Growth & Design","2021","","","","","10.1021/acs.cgd.1c00555","","x-ray","0.71073","MoKα","","0.0289","0.0279","","","0.068","0.0686","","","","","","1.064","","","","has coordinates","267735","2021-07-24","22:20:36",""
"4518921","9.436","0.004","9.724","0.003","22.389","0.009","90","","90","","90","","2054.3","1.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Song, Yulong; Fu, Chunling; Ma, Shengming","Copper-Catalyzed Syntheses of Multiple Functionalizatized Allenes via Three-Component Reaction of Enynes","ACS Catalysis","2021","","","10007","10013","10.1021/acscatal.1c02140","","","0.71073","MoKα","","0.0308","0.0283","","","0.0696","0.0714","","","","","","1.03","","","","has coordinates","267765","2021-07-27","21:32:26",""
"4518922","5.6471","0.0007","9.3471","0.0012","20.515","0.002","86.434","0.006","89.453","0.006","83.523","0.006","1073.9","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 O -","- C26 H22 N4 O -","- C52 H44 N8 O2 -","2","1","","BinSabt, Mohammad H.; Al-Matar, Hamad M.; Balch, Alan L.; Shalaby, Mona A.","Synthesis and Electrochemistry of Novel Dumbbell-Shaped Bis-pyrazolino[60]fullerene Derivatives Formed Using Microwave Radiation","ACS Omega","2021","","","","","10.1021/acsomega.1c02245","","","0.71075","MoKα","","0.1575","0.048","","","0.0789","0.1011","","","","","","0.859","","","","has coordinates","267786","2021-07-28","21:39:04",""
"4518923","16.3786","0.0008","8.1613","0.0004","9.2723","0.0005","90","","90","","90","","1239.43","0.11","149.99","0.1","149.99","0.1","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Hg3 P2 S8 -","- Hg3 P2 S8 -","- Hg12 P8 S32 -","4","0.5","","Xing, Wenhao; Liang, Fei; Tang, Chunlan; Uykur, Ece; Lin, Zheshuai; Yao, Jiyong; Yin, Wenlong; Kang, Bin","Highly Distorted [HgS<sub>4</sub>] Motif-Driven Structural Symmetry Degradation and Strengthened Second-Harmonic Generation Response in the Defect Diamond-Like Chalcogenide Hg<sub>3</sub>P<sub>2</sub>S<sub>8</sub>.","ACS applied materials & interfaces","2021","","","","","10.1021/acsami.1c06933","","x-ray","0.71073","MoKα","","0.0153","0.0145","","","0.0353","0.0356","","","","","","1.055","","","","has coordinates","267817","2021-07-29","21:16:09",""
"4518924","25.0296","0.0003","21.4254","0.0003","8.35199","0.00014","90","","90","","90","","4478.91","0.11","295","0.4","295","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C224 H200 N8 O24 -","8","2","","Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long","Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates","ACS Catalysis","2021","","","10148","10158","10.1021/acscatal.1c01724","","x-ray","1.54184","CuKα","","0.0556","0.0507","","","0.1324","0.139","","","","","","1.038","","","","has coordinates,has disorder","267868","2021-07-31","21:29:54",""
"4518925","10.2188","0.0007","10.9667","0.0006","13.713","0.0007","82.201","0.004","85.137","0.005","66.119","0.006","1391.45","0.16","294","0.3","294","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 Cl4 N O3 -","- C29 H25 Cl4 N O3 -","- C58 H50 Cl8 N2 O6 -","2","1","","Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long","Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates","ACS Catalysis","2021","","","10148","10158","10.1021/acscatal.1c01724","","x-ray","1.54184","CuKα","","0.0863","0.0753","","","0.2195","0.2379","","","","","","1.045","","","","has coordinates","267869","2021-07-31","21:30:42",""
"4518926","19.7295","0.0014","6.1575","0.0004","19.7303","0.0014","90","","115.521","0.003","90","","2163","0.3","170","2","170.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C20 H36 B2 O4 -","- C20 H36 B2 O4 -","- C80 H144 B8 O16 -","4","1","","Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng","Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates","ACS Catalysis","2021","","","10138","10147","10.1021/acscatal.1c02432","","","1.34139","GaKα","","0.0837","0.0808","","","0.2279","0.2331","","","","","","1.111","","","","has coordinates","267870","2021-07-31","21:31:06",""
"4518927","9.3707","0.0003","11.8804","0.0003","12.9994","0.0004","90","","104.809","0.001","90","","1399.12","0.07","173","2","172.99","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H40 Cl2 Fe N3 P -","- C27 H40 Cl2 Fe N3 P -","- C54 H80 Cl4 Fe2 N6 P2 -","2","1","","Xu, Songgen; Geng, Peiyu; Li, Yuling; Liu, Guixia; Zhang, Lei; Guo, Yinlong; Huang, Zheng","Pincer Iron Hydride Complexes for Alkene Isomerization: Catalytic Approach to Trisubstituted (Z)-Alkenyl Boronates","ACS Catalysis","2021","","","10138","10147","10.1021/acscatal.1c02432","","","1.34139","GaKα","","0.0292","0.026","","","0.0614","0.0648","","","","","","1.073","","","","has coordinates,has disorder","267871","2021-07-31","21:31:38",""
"4518928","20.847","0.0004","26.6888","0.0006","9.3343","0.0002","90","","100.428","0.002","90","","5107.65","0.19","99.97","0.1","99.97","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H29 Fe La N4 O10 -","- C48 H29 Fe La N4 O10 -","- C192 H116 Fe4 La4 N16 O40 -","4","0.5","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54184","CuKα","","0.0619","0.0609","","","0.1708","0.1716","","","","","","1.039","","","","has coordinates","268477","2021-09-04","02:56:15",""
"4518929","21.3157","0.0009","26.6555","0.001","9.6912","0.0004","90","","105.882","0.004","90","","5296.2","0.4","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H27 La N4 Ni O10 -","- C48 H29 La N4 Ni O10 -","- C192 H116 La4 N16 Ni4 O40 -","4","0.5","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54178","CuKα","","0.0858","0.0817","","","0.2251","0.2314","","","","","","1.077","","","","has coordinates","268477","2021-09-04","02:56:16",""
"4518930","20.8862","0.0007","26.7254","0.001","9.3768","0.0004","90","","100.281","0.004","90","","5150","0.3","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H29 La N4 O10 Zn -","- C48 H29 La N4 O10 Zn -","- C192 H116 La4 N16 O40 Zn4 -","4","0.5","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54184","CuKα","","0.0705","0.0616","","","0.1754","0.1894","","","","","","1.096","","","","has coordinates","268477","2021-09-04","02:56:16",""
"4518931","21.5757","0.0003","24.2503","0.0002","31.8735","0.0004","90","","102.464","0.001","90","","16283.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H52 La2 N8 O14 -","- C78 H52 La2 N8 O14 -","- C624 H416 La16 N64 O112 -","8","1","","Long, Zi-Hao; Luo, Dong; Wu, Kun; Chen, Zi-Ye; Wu, Ming-Min; Zhou, Xiao-Ping; Li, Dan","Superoxide Ion and Singlet Oxygen Photogenerated by Metalloporphyrin-Based Metal-Organic Frameworks for Highly Efficient and Selective Photooxidation of a Sulfur Mustard Simulant.","ACS applied materials & interfaces","2021","13","31","37102","37110","10.1021/acsami.1c08840","","","1.54184","CuKα","","0.0794","0.0674","","","0.1958","0.2067","","","","","","1.053","","","","has coordinates,has disorder","268477","2021-09-04","02:56:16",""
"4518932","10.2489","0.0006","10.3638","0.0005","15.0581","0.0009","105.732","0.003","96.365","0.003","114.941","0.003","1348.68","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","catena-poly[aqua(mu-4,4´-bipyridine)(mu-uracil-1-acetato)(uracil-1-acetato) copper(II)] trihydrate","","- C22 H24 Cu N6 O11 -","- C22 H18 Cu N6 O8 -","- C44 H36 Cu2 N12 O16 -","2","1","","Vegas, Verónica G; Latorre, Ana; Marcos, María Luisa; Gómez-García, Carlos J; Castillo, Óscar; Zamora, Félix; Gómez, Jacobo; Martínez-Costas, José; Vázquez López, Miguel; Somoza, Álvaro; Amo-Ochoa, Pilar","Rational Design of Copper(II)-Uracil Nanoprocessed Coordination Polymers to Improve Their Cytotoxic Activity in Biological Media.","ACS applied materials & interfaces","2021","13","31","36948","36957","10.1021/acsami.1c11612","","","0.71073","MoKα","","0.0977","0.0681","","","0.1897","0.2098","","","","","","1.063","","","","has coordinates,has disorder","268476","2021-09-04","02:55:37",""
"4518933","17.3204","0.0013","11.0969","0.0006","27.933","0.002","90","","96.92","0.004","90","","5329.7","0.6","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-poly[aqua(mu-4,4´-bipyridine)bis(5-fluorouracil-1-acetato) copper(II)] - water (1/3.5)","","- C22 H23 Cu F2 N6 O11.5 -","- C22 H16 Cu F2 N6 O11.5 -","- C176 H128 Cu8 F16 N48 O92 -","8","1","","Vegas, Verónica G; Latorre, Ana; Marcos, María Luisa; Gómez-García, Carlos J; Castillo, Óscar; Zamora, Félix; Gómez, Jacobo; Martínez-Costas, José; Vázquez López, Miguel; Somoza, Álvaro; Amo-Ochoa, Pilar","Rational Design of Copper(II)-Uracil Nanoprocessed Coordination Polymers to Improve Their Cytotoxic Activity in Biological Media.","ACS applied materials & interfaces","2021","13","31","36948","36957","10.1021/acsami.1c11612","","","0.71073","MoKα","","0.1027","0.069","","","0.1911","0.2183","","","","","","1.03","","","","has coordinates,has disorder","268476","2021-09-04","02:55:38",""
"4518934","10.5492","0.0004","10.6045","0.0005","15.0677","0.0008","90","","90","","90","","1685.61","0.14","295","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O -","- C19 H15 Cl F3 N O -","- C76 H60 Cl4 F12 N4 O4 -","4","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.0813","0.0525","","","0.1086","0.129","","","","","","1.024","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518935","8.6182","0.0004","7.3866","0.0004","19.3609","0.001","90","","93.692","0.004","90","","1229.94","0.11","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl F2 N O3 -","- C28 H24 Cl F2 N O3 -","- C56 H48 Cl2 F4 N2 O6 -","2","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.09","0.0612","","","0.147","0.172","","","","","","1.048","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518936","18.358","0.003","10.6384","0.0011","20.055","0.002","90","","100.967","0.006","90","","3845.2","0.8","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 N4 O4 P2 Rh2 -","- C39 H42 N4 O4 P2 Rh2 -","- C156 H168 N16 O16 P8 Rh8 -","4","1","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0263","0.0211","","","0.0472","0.0489","","","","","","1.039","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4518937","9.8701","0.0002","21.0572","0.0004","16.6273","0.0003","90","","90","","90","","3455.76","0.11","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 O7 P3 Rh2 -","- C34 H39 O7 P3 Rh2 -","- C136 H156 O28 P12 Rh8 -","4","0.5","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0284","0.0238","","","0.0559","0.0576","","","","","","1.106","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4518938","11.6872","0.0004","10.0417","0.0003","11.9547","0.0003","90","","111.882","0.001","90","","1301.91","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Ma, Liangwei; Ding, Bingbing; Yuan, Zhiyi; Ma, Xiang; Tian, He","Triboluminescence and Selective Hydrogen-Bond Responsiveness of Thiochromanone Derivative","ACS Materials Letters","2021","","","1300","1306","10.1021/acsmaterialslett.1c00339","","","0.71073","MoKα","","0.0552","0.0433","","","0.1051","0.1155","","","","","","1.018","","","","has coordinates,has disorder","267896","2021-08-02","22:00:40",""
"4518939","15.8193","0.0009","16.1233","0.0009","28.3586","0.0015","90","","103.52","0.002","90","","7032.7","0.7","125","2","125","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Carboxylate Dimer","","","- C71 H99 Au2 F8 O2 P2 Sb -","- C71 H99 Au2 F8 O2 P2 Sb -","- C284 H396 Au8 F32 O8 P8 Sb4 -","4","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0783","0.0428","","","0.0883","0.1036","","","","","","1.071","","","","has coordinates","267913","2021-08-03","19:36:49",""
"4518940","11.0822","0.0008","11.3847","0.0009","18.7298","0.0013","73.758","0.003","74.18","0.003","89.153","0.003","2178","0.3","138","2","138","2","","","","","","","","9","P -1","-P 1","2","","Au Carboxylate - SbF6","","- C42 H50 Au Cl2 F8 N O2 P Sb -","- C42 H50 Au Cl2 F8 N O2 P Sb -","- C84 H100 Au2 Cl4 F16 N2 O4 P2 Sb2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0436","0.0349","","","0.0912","0.0968","","","","","","1.039","","","","has coordinates","267914","2021-08-03","19:37:12",""
"4518941","15.128","0.0011","17.2038","0.0012","17.914","0.002","111.6","0.001","103.331","0.001","109.325","0.001","3746.2","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","RAD-7-203","(tBuXPhosAu)2ISbF6","","- C61 H93 Au2 Cl9 F6 I P2 Sb -","- C61 H93 Au2 Cl9 F6 I P2 Sb -","- C122 H186 Au4 Cl18 F12 I2 P4 Sb2 -","2","1","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0352","0.0284","","","0.0664","0.0695","","","","","","1.013","","","","has coordinates,has disorder","267915","2021-08-03","19:37:39",""
"4518942","16.205","0.006","18.724","0.006","17.194","0.006","90","","111.579","0.012","90","","4851","3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","21059","","","- C28 H19 Au F2 I P -","- C28 H19 Au F2 I P -","- C224 H152 Au8 F16 I8 P8 -","8","2","","Daley, Ryan A.; Morrenzin, Aaron S.; Neufeldt, Sharon R.; Topczewski, Joseph J.","Mechanistic Investigation into the Gold-Catalyzed Decarboxylative Cross-Coupling of Iodoarenes","ACS Catalysis","2021","","","9578","9587","10.1021/acscatal.1c01631","","","0.71073","MoKα","","0.0496","0.0265","","","0.0514","0.0616","","","","","","1.075","","","","has coordinates","267916","2021-08-03","19:38:04",""
"4518943","6.653","0.0004","6.9677","0.0004","27.9699","0.0013","90","","90","","90","","1296.58","0.12","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C52 H60 N4 O20 S4 -","4","1","","Xia, Liwen; Fan, Wenjing; Yuan, Xiang-Ai; Yu, Shouyun","Photoredox-Catalyzed Stereoselective Synthesis of C-Nucleoside Analogues from Glycosyl Bromides and Heteroarenes","ACS Catalysis","2021","","","9397","9406","10.1021/acscatal.1c02088","","","0.71073","MoKα","","0.0356","0.03","","","0.0674","0.0721","","","","","","1.055","","","","has coordinates","267917","2021-08-03","19:38:25",""
"4518944","16.7483","0.0004","16.7483","0.0004","28.9201","0.0007","90","","90","","90","","8112.2","0.3","172.95","0.1","172.95","0.1","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C11 H21 F6 N O4 S2 Sn -","- C11 H21 F6 N O4 S2 Sn -","- C176 H336 F96 N16 O64 S32 Sn16 -","16","0.5","","Sapsford, Joshua S.; Csókás, Dániel; Turnell-Ritson, Roland C.; Parkin, Liam A.; Crawford, Andrew D.; Pápai, Imre; Ashley, Andrew E.","Transition Metal-Free Direct Hydrogenation of Esters via a Frustrated Lewis Pair","ACS Catalysis","2021","","","9143","9150","10.1021/acscatal.1c01940","","x-ray","0.71073","MoKα","","0.0686","0.039","","","0.0817","0.0973","","","","","","1.036","","","","has coordinates,has disorder","267918","2021-08-03","19:39:06",""
"4518945","5.067","0.0002","18.8912","0.0009","20.6194","0.001","90","","90","","90","","1973.72","0.16","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0548","0.047","","","0.1123","0.1186","","","","","","1.022","","","","has coordinates","267919","2021-08-03","19:40:15",""
"4518946","10.1942","0.0009","10.1942","0.0009","14.1934","0.0017","90","","90","","120","","1277.4","0.2","193","","193","","","","","","","","","4","P 32","P 32","145","","","","- C20 H25 N O -","- C20 H25 N O -","- C60 H75 N3 O3 -","3","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0712","0.0517","","","0.115","0.1263","","","","","","1.032","","","","has coordinates","267920","2021-08-03","19:40:35",""
"4518947","9.3946","0.0004","2.764","0.0001","11.0804","0.0005","90","","94.233","0.004","90","","286.94","0.02","","","298","","","","100","","","","","7","C 1 2/m 1","-C 2y","12","(Mg,Fe)5Si2O9","","elgoresyite","- Al0.05 Ca0.02 Fe1.6 Mg3.38 Na0.03 O9 Si1.95 -","- Fe0.99 Mg3.41 O9 Si2.6 -","- Fe1.98 Mg6.82 O18 Si5.2 -","2","0.25","","Bindi, L.; Bykova, E.; Ovsyannikov, S.V.; McCammon, C.; Kupenko, I.; Ismailova, L.; Dubrovinsky, L.; Xie, X.","Discovery of Elgoresyite, (Mg,Fe)5Si2O9: Implications for novel iron-magnesium silicates in rocky planetary interiors","ACS Earth and Space Chemistry","2021","5","","2124","2130","10.1021/acsearthspacechem.1c00157","","","","","","","","","","","","","","","","","","","","","has coordinates","268214","2021-08-25","23:08:11",""
"4518948","36.922","0.0008","39.257","0.003","42.254","0.0009","90","","90","","90","","61245","5","99.9","0.4","99.9","0.4","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C120 H66 Eu2 N24 O16 Ru2 -","- C120 H66 Eu2 N24 O16 Ru2 -","- C960 H528 Eu16 N192 O128 Ru16 -","8","1","","Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","31","37412","37421","10.1021/acsami.1c10626","","x-ray","1.54184","CuKα","","0.124","0.079","","","0.2313","0.2659","","","","","","1.05","","","","has coordinates","268383","2021-09-03","18:58:17",""
"4518949","37.1447","0.0007","38.972","0.004","42.3711","0.0012","90","","90","","90","","61337","7","100.15","","100.15","","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C120 H66 Eu2 N24 O16 Ru2 -","- C120 H66 Eu2 N24 O16 Ru2 -","- C960 H528 Eu16 N192 O128 Ru16 -","8","1","","Weng, Zhen-Zhang; Xu, Han; Zhang, Wei; Zhuang, Gui-Lin; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Enantioselective Recognition and Separation of <i>C</i><sub>2</sub> Symmetric Substances via Chiral Metal-Organic Frameworks.","ACS applied materials & interfaces","2021","13","31","37412","37421","10.1021/acsami.1c10626","","","1.54178","CuKα","","0.1566","0.089","","","0.26","0.317","","","","","","1.079","","","","has coordinates","268384","2021-09-03","18:58:47",""
"4518950","15.1751","0.0003","15.1751","0.0003","12.0768","0.0004","90","","90","","90","","2781.09","0.12","100","2","100.15","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","","- C18 H10 Ni2 O15 -","- C18 H10 Ni2 O15 -","- C72 H40 Ni8 O60 -","4","0.25","","Gao, Hui; He, Yan-Bin; Hou, Juan-Juan; Zhang, Xian-Ming","<i>In Situ</i> Aliovalent Nickle Substitution and Acidic Modification of Nanowalls Promoted Proton Conductivity in InOF with 1D Helical Channel.","ACS applied materials & interfaces","2021","13","32","38289","38295","10.1021/acsami.1c09001","","","0.71073","MoKα","","0.0619","0.0575","","","0.1656","0.1711","","","","","","1.195","","","","has coordinates,has disorder","268385","2021-09-03","18:59:11",""
"4518951","16.0496","0.0008","28.0149","0.0011","35.322","0.005","90","","90","","90","","15882","2","149.99","0.1","149.99","0.1","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C78 H36 F4 N6 O2 S4 -","- C78 H36 F4 N6 O2 S4 -","- C312 H144 F16 N24 O8 S16 -","4","0.5","","Wang, Xiaodong; Lu, Hao; Zhou, Jiadong; Xu, Xiaoyun; Zhang, Cai'e; Huang, Hao; Song, Jinsheng; Liu, Yahui; Xu, Xinjun; Xie, Zengqi; Tang, Zheng; Bo, Zhishan","High-Performance Simple Nonfused Ring Electron Acceptors with Diphenylamino Flanking Groups.","ACS applied materials & interfaces","2021","13","33","39652","39659","10.1021/acsami.1c09597","","x-ray","1.54184","CuKα","","0.1841","0.1142","","","0.2983","0.3514","","","","","","0.951","","","","has coordinates","268386","2021-09-03","18:59:38",""
"4518952","10.8683","0.0005","11.6322","0.0003","17.276","0.0005","105.099","0.001","103.555","0.002","93.979","0.002","2030.04","0.12","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl4 Cu2 N6 O2 -","- C44 H38 Cl4 Cu2 N6 O2 -","- C88 H76 Cl8 Cu4 N12 O4 -","2","1","","Xiong, Kai; Zhou, Ying; Karges, Johannes; Du, Kejie; Shen, Jinchao; Lin, Mingwei; Wei, Fangmian; Kou, Junfeng; Chen, Yu; Ji, Liangnian; Chao, Hui","Autophagy-Dependent Apoptosis Induced by Apoferritin-Cu(II) Nanoparticles in Multidrug-Resistant Colon Cancer Cells.","ACS applied materials & interfaces","2021","13","33","38959","38968","10.1021/acsami.1c07223","","","0.71073","MoKα","","0.0369","0.032","","","0.0882","0.0916","","","","","","1.067","","","","has coordinates","268387","2021-09-03","19:00:04",""
"4518953","23.703","0.002","17.2517","0.0017","21.804","0.002","90","","110.008","0.002","90","","8377.9","1.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H7 Cu3 F3 N12 O7 -","- C32 H7 Cu3 F3 N12 O7 -","- C256 H56 Cu24 F24 N96 O56 -","8","1","","Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng","Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> Gases.","ACS applied materials & interfaces","2021","13","34","40713","40723","10.1021/acsami.1c11971","","","1.54178","CuKα","","0.0525","0.0522","","","0.1465","0.1467","","","","","","1.049","","","","has coordinates","268388","2021-09-03","19:01:00",""
"4518954","24.8313","0.0003","16.5089","0.0002","22.0041","0.0003","90","","111.837","0.001","90","","8373.06","0.19","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 Cu6 F6 N26 O15 -","- C54 H32 Cu6 F6 N26 O15 -","- C216 H128 Cu24 F24 N104 O60 -","4","0.5","","Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng","Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> Gases.","ACS applied materials & interfaces","2021","13","34","40713","40723","10.1021/acsami.1c11971","","","1.54178","CuKα","","0.0432","0.0394","","","0.1118","0.1157","","","","","","1.048","","","","has coordinates","268389","2021-09-03","19:01:29",""
"4518955","23.669","0.004","17.238","0.003","21.847","0.004","90","","109.832","0.005","90","","8385","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H7 Cu3 F3 N12 O7 -","- C27 H7 Cu3 F3 N12 O7 -","- C216 H56 Cu24 F24 N96 O56 -","8","1","","Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng","Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C<sub>3</sub>H<sub>8</sub> and C<sub>2</sub>H<sub>6</sub> Gases.","ACS applied materials & interfaces","2021","13","34","40713","40723","10.1021/acsami.1c11971","","","1.54178","CuKα","","0.0431","0.0423","","","0.116","0.1168","","","","","","0.997","","","","has coordinates","268390","2021-09-03","19:01:54",""
"4518956","14.597","0.0014","17.6854","0.0019","7.142","0.001","90","","90","","90","","1843.7","0.4","190","2","190","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H19 N9 O -","- C19 H19 N9 O -","- C76 H76 N36 O4 -","4","1","","Meng, Peng; Han, Chenhui; Scully, Andrew D.; Xiao, Qi; Brock, Aidan J.; Hirai, Tadahiko; Skidmore, Melissa; McMurtrie, John C.; Chesman, Anthony S. R.; Xu, Jingsan","Unconventional, Gram-Scale Synthesis of a Molecular Dimer Organic Luminogen with Aggregation-Induced Emission.","ACS applied materials & interfaces","2021","13","34","40441","40450","10.1021/acsami.1c05841","","x-ray","0.71073","MoKα","","0.0926","0.0601","","","0.1242","0.1433","","","","","","1.038","","","","has coordinates","268391","2021-09-03","19:02:19",""
"4518957","31.328","0.002","6.6752","0.0004","15.866","0.001","90","","118.907","0.002","90","","2904.5","0.3","185","2","185","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C144 H104 N8 O24 -","8","1","","Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","[3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid","ACS Catalysis","2021","","","10789","10795","10.1021/acscatal.1c02533","","","0.71073","MoKα","","0.1155","0.0611","","","0.1365","0.1659","","","","","","1.037","","","","has coordinates","268392","2021-09-03","19:29:19",""
"4518958","25.918","0.004","5.5061","0.0008","10.7277","0.0015","90","","101.044","0.005","90","","1502.6","0.4","120","2","120","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H13 F3 O2 -","- C18 H13 F3 O2 -","- C72 H52 F12 O8 -","4","1","","Guo, Hongyu; Zhang, Sheng; Yu, Xiaoqiang; Feng, Xiujuan; Yamamoto, Yoshinori; Bao, Ming","[3 + 2] Cycloaddition of α-Aryl-α-diazoacetates with Terminal Alkynes via the Cooperative Catalysis of Palladium and Acid","ACS Catalysis","2021","","","10789","10795","10.1021/acscatal.1c02533","","","0.71073","MoKα","","0.1083","0.0597","","","0.1164","0.1397","","","","","","1.046","","","","has coordinates","268393","2021-09-03","19:29:40",""
"4518959","10.9903","0.0001","15.5335","0.0002","14.0576","0.0002","90","","99.824","0.001","90","","2364.69","0.05","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonon95","(FOX)Fe(OTf)2","","- C18 H17 F6 Fe N3 O9 S2 -","- C18 H17 F6 Fe N3 O9 S2 -","- C72 H68 F24 Fe4 N12 O36 S8 -","4","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.0323","0.0306","","","0.0795","0.0812","","","","","","1.051","","","","has coordinates","268394","2021-09-03","19:30:35",""
"4518960","10.094","0.0002","13.5688","0.0003","14.2285","0.0002","77.548","0.002","80.246","0.002","80.97","0.002","1860.69","0.06","100","0.13","100","0.13","","","","","","","","7","P -1","-P 1","2","jonon94","[(FOX)Fe(CyOH)(OTf)][OTf-CyOH]","","- C30 H41 F6 Fe N3 O11 S2 -","- C30 H41 F6 Fe N3 O11 S2 -","- C60 H82 F12 Fe2 N6 O22 S4 -","2","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.0538","0.0508","","","0.1407","0.1472","","","","","","1.127","","","","has coordinates","268394","2021-09-03","19:30:36",""
"4518961","13.3968","0.0002","9.438","0.0001","20.5184","0.0003","90","","100.509","0.002","90","","2550.81","0.06","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonon101","[(FOX)Fe(H2O)2][OTf]2","","- C18 H21 F6 Fe N3 O11 S2 -","- C18 H21 F6 Fe N3 O11 S2 -","- C72 H84 F24 Fe4 N12 O44 S8 -","4","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.0325","0.0306","","","0.0814","0.0825","","","","","","1.084","","","","has coordinates,has disorder","268394","2021-09-03","19:30:36",""
"4518962","13.3866","0.0005","13.6776","0.0009","14.4554","0.0005","97.802","0.004","97.381","0.003","106.208","0.005","2479.2","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonon96","{[(FOX)Fe(OTf)]2(u-O)}[OTf]2","","- C36 H30 F12 Fe2 N6 O19 S4 -","- C36 H30 F12 Fe2 N6 O19 S4 -","- C72 H60 F24 Fe4 N12 O38 S8 -","2","1","","Nachtigall, Olaf; VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","An Iron-Based Dehydration Catalyst for Selective Formation of Styrene","ACS Catalysis","2021","","","10885","10891","10.1021/acscatal.1c03037","","x-ray","1.54184","CuKα","","0.1483","0.1074","","","0.2853","0.3316","","","","","","1.287","","","","has coordinates,has disorder","268394","2021-09-03","19:30:36",""
"4518963","4.4456","0.0013","6.653","0.004","21.01","0.0009","90","","90","","90","","621.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","1","","Hasani, Morteza; Kalhor, Hamid R.","Enzyme-Inspired Lysine-Modified Carbon Quantum Dots Performing Carbonylation Using Urea and a Cascade Reaction for Synthesizing 2-Benzoxazolinone","ACS Catalysis","2021","","","10778","10788","10.1021/acscatal.1c01276","","","0.71073","MoKα","","0.0428","0.0413","","","0.1002","0.1012","","","","","","1.181","","","","has coordinates","268395","2021-09-03","19:31:21",""
"4518964","8.7967","0.0005","23.7327","0.0015","22.4247","0.0014","90","","95.521","0.002","90","","4659.9","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 F6 N6 P Rh -","- C46 H46 F6 N6 P Rh -","- C184 H184 F24 N24 P4 Rh4 -","4","1","","Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst","ACS Catalysis","2021","","","11396","11406","10.1021/acscatal.1c02901","","","0.71073","MoKα","","0.0781","0.0475","","","0.0871","0.0954","","","","","","1.022","","","","has coordinates,has disorder","268396","2021-09-03","19:31:46",""
"4518965","11.9513","0.0009","16.5866","0.0013","30.088","0.002","90","","90","","90","","5964.4","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H60 Cl4 N7 O2 Rh -","- C64.004 H60.008 Cl4.008 N7 O2 Rh -","- C256.016 H240.032 Cl16.032 N28 O8 Rh4 -","4","1","","Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst","ACS Catalysis","2021","","","11396","11406","10.1021/acscatal.1c02901","","","0.71073","MoKα","","0.0362","0.0307","","","0.0639","0.0655","","","","","","1.074","","","","has coordinates,has disorder","268397","2021-09-03","19:32:16",""
"4518966","35.178","0.006","10.1527","0.0018","14.771","0.003","90","","99.986","0.006","90","","5195.6","1.7","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C84 H132 Cl4 N8 Ni2 -","- C84 H132 Cl4 N8 Ni2 -","- C168 H264 Cl8 N16 Ni4 -","2","0.5","","Cheng, Xiaokai; Li, Tongtong; Liu, Yuting; Lu, Zhan","Stereo- and Enantioselective Benzylic C‒H Alkenylation via Photoredox/Nickel Dual Catalysis","ACS Catalysis","2021","","","11059","11065","10.1021/acscatal.1c02851","","","0.71073","MoKα","","0.1563","0.07","","","0.1514","0.2091","","","","","","1.014","","","","has coordinates,has disorder","268398","2021-09-03","19:32:42",""
"4518967","10.727","0.008","13.248","0.009","16.141","0.011","90","","90","","90","","2294","3","100","2","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H32 N2 O2 Pd S2 -","- C24 H32 N2 O2 Pd S2 -","- C96 H128 N8 O8 Pd4 S8 -","4","0.5","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0215","0.0179","","","0.0459","0.0478","","","","","","1.039","","","","has coordinates","268399","2021-09-03","19:33:04",""
"4518968","11.017","0.005","14.127","0.004","16.002","0.006","90","","90","","90","","2490.5","1.6","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O2 Pd S2 -","- C24 H32 N2 O2 Pd S2 -","- C96 H128 N8 O8 Pd4 S8 -","4","1","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0293","0.0252","","","0.0501","0.0513","","","","","","1.018","","","","has coordinates,has disorder","268400","2021-09-03","19:33:22",""
"4518969","22.416","0.007","22.416","0.007","24.448","0.01","90","","90","","120","","10639","6","100","2","100.01","","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C52 H76 Cl Li N8 O4 Pd2 -","- C52 H76 Cl Li N8 O4 Pd2 -","- C312 H456 Cl6 Li6 N48 O24 Pd12 -","6","1","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0509","0.0419","","","0.1048","0.1103","","","","","","1.072","","","","has coordinates,has disorder","268401","2021-09-03","19:33:49",""
"4518970","7.2482","0.0003","9.4977","0.0004","16.211","0.0007","81.234","0.004","84.074","0.003","68.141","0.004","1022.33","0.08","113.15","","113.15","","","","","","","","","6","P 1","P 1","1","","","","- C20 H28 N O2 P Si -","- C20 H28 N O2 P Si -","- C40 H56 N2 O4 P2 Si2 -","2","2","","Zhang, Hongpeng; Zhao, Dongbing","Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold","ACS Catalysis","2021","","","10748","10753","10.1021/acscatal.1c03112","","x-ray","0.71073","MoKα","","0.0353","0.0333","","","0.0834","0.0852","","","","","","1.051","","","","has coordinates","268402","2021-09-03","19:34:16",""
"4518971","8.5446","0.0003","10.3457","0.0003","22.8129","0.0006","90","","90","","90","","2016.66","0.11","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O Si2 -","- C21 H28 O Si2 -","- C84 H112 O4 Si8 -","4","1","","Zhang, Hongpeng; Zhao, Dongbing","Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold","ACS Catalysis","2021","","","10748","10753","10.1021/acscatal.1c03112","","x-ray","0.71073","MoKα","","0.041","0.036","","","0.0857","0.0894","","","","","","1.047","","","","has coordinates","268403","2021-09-03","19:34:38",""
"4518972","16.795","0.007","7.392","0.003","26.651","0.01","90","","91.163","0.009","90","","3308","2","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C160 H160 N16 O16 -","8","2","","Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi","Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach","ACS Catalysis","2021","","","10847","10854","10.1021/acscatal.1c02653","","","0.71073","MoKα","","0.0774","0.0533","","","0.1283","0.1408","","","","","","1.043","","","","has coordinates","268404","2021-09-03","19:35:41",""
"4518973","8.3714","0.0005","8.8366","0.0006","15.5245","0.0009","94.989","0.002","90.639","0.002","114.72","0.002","1037.8","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl Ir N2 O2 -","- C20 H28 Cl Ir N2 O2 -","- C40 H56 Cl2 Ir2 N4 O4 -","2","1","","Bera, Satabdi; Roy, Saikat; Pal, Shyam Chand; Anoop, Anakuthil; Samanta, Rajarshi","Iridium(III)-Catalyzed Intermolecular Mild N-Arylation of Aliphatic Amides Using Quinoid Carbene: A Migratory Insertion-Based Approach","ACS Catalysis","2021","","","10847","10854","10.1021/acscatal.1c02653","","","0.71073","MoKα","","0.037","0.0336","","","0.0836","0.0853","","","","","","1.094","","","","has coordinates","268405","2021-09-03","19:36:02",""
"4518974","10.7812","0.0004","12.0641","0.0005","22.7561","0.0009","79.809","0.003","85.532","0.002","69.786","0.003","2733.2","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H63 Br0.41 Cl4.59 Ni O5 P2 -","- C47 H59 Br0.411 Cl0.589 Ni O5 P2 -","- C94 H118 Br0.822 Cl1.178 Ni2 O10 P4 -","2","1","","Morrison, Kathleen M.; McGuire, Ryan T.; Ferguson, Michael J.; Stradiotto, Mark","CgPhen-DalPhos Enables the Nickel-Catalyzed O-Arylation of Tertiary Alcohols with (Hetero)Aryl Electrophiles","ACS Catalysis","2021","","","10878","10884","10.1021/acscatal.1c03010","","","1.54178","CuKα","","0.0686","0.0558","","","0.1556","0.166","","","","","","1.051","","","","has coordinates,has disorder","268406","2021-09-03","19:36:28",""
"4518975","9.487","0.0019","10.576","0.003","15.286","0.003","96.2","0.04","91.16","0.03","116.58","0.03","1359.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Cl2 N4 P2 Pd2 -","- C60 H64 Cl2 N4 P2 Pd2 -","- C60 H64 Cl2 N4 P2 Pd2 -","1","0.5","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0516","0.0433","","","0.1022","0.1053","","","","","","1.089","","","","has coordinates","268407","2021-09-03","19:36:48",""
"4518976","38.6949","0.0018","17.3828","0.0007","19.7361","0.0008","90","","99.654","0.003","90","","13087","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H28.5 B0 Cl3 N2 P Pd1.5 -","- C27 H28.5 Cl3 N2 P Pd1.5 -","- C432 H456 Cl48 N32 P16 Pd24 -","16","2","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0835","0.0701","","","0.1881","0.205","","","","","","0.671","","","","has coordinates","268408","2021-09-03","19:37:18",""
"4518977","14.761","0.004","15.803","0.005","17.805","0.005","111.215","0.008","104.832","0.008","96.15","0.008","3649.7","1.9","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C62.46 H62.16 Ag0.16 F9.46 I N4 O10.62 P2 Pd2 S3.16 -","- C62.4615 H62.155 Ag0.15375 F9.4605 I N4 O10.6135 P2 Pd2 S3.1535 -","- C124.923 H124.31 Ag0.3075 F18.921 I2 N8 O21.227 P4 Pd4 S6.307 -","2","1","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","0.71073","MoKα","","0.0765","0.0608","","","0.1567","0.1707","","","","","","1.119","","","","has coordinates,has disorder","268409","2021-09-03","19:37:50",""
"4518978","10.9294","0.0005","12.06","0.0006","14.6295","0.0007","70.649","0.002","71.301","0.002","71.001","0.002","1670.63","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl8 N2 P Pd -","- C29 H31 Cl8 N2 P Pd -","- C58 H62 Cl16 N4 P2 Pd2 -","2","1","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0273","0.026","","","0.0662","0.0672","","","","","","1.049","","","","has coordinates,has disorder","268410","2021-09-03","19:38:15",""
"4518979","11.5675","0.0011","15.2858","0.0015","18.2662","0.0017","90","","90","","90","","3229.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C160 H136 N8 O16 -","8","1","","Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro","Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst","ACS Catalysis","2021","11","16","10429","10435","10.1021/acscatal.1c02627","","","1.5418","CuKα","","0.0402","0.0368","","","0.0887","0.0908","","","","","","1.07","","","","has coordinates","268411","2021-09-03","19:38:38",""
"4518980","12.6518","0.0002","15.3285","0.0003","16.7761","0.0004","90","","104.703","0.002","90","","3146.91","0.11","99.97","0.11","99.97","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 F Mn N2 O2 P2 -","- C32 H46 F Mn N2 O2 P2 -","- C128 H184 F4 Mn4 N8 O8 P8 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","1.54184","CuKα","","0.0421","0.0388","","","0.103","0.1051","","","","","","1.048","","","","has coordinates","268412","2021-09-03","19:39:12",""
"4518981","12.92524","0.00018","16.7518","0.0002","16.3352","0.0002","90","","101.96","0.0013","90","","3460.14","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Mn N2 O2 P2 -","- C32 H47 Mn N2 O2 P2 -","- C128 H188 Mn4 N8 O8 P8 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","1.54184","CuKα","","0.035","0.0332","","","0.086","0.087","","","","","","1.055","","","","has coordinates,has disorder","268413","2021-09-03","19:39:37",""
"4518982","12.1759","0.0003","13.3287","0.0003","25.6006","0.0006","90","","90","","90","","4154.69","0.17","99.99","0.1","99.99","0.1","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C144 H212 Cl8 F12 Mn4 N8 O20 P8 S4 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","0.71073","MoKα","","0.0536","0.0465","","","0.1097","0.1135","","","","","","1.052","","","","has coordinates,has disorder","268414","2021-09-03","19:40:02",""
"4518983","18.259","0.003","17.663","0.002","11.5624","0.0013","90","","104.816","0.005","90","","3605","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 Ni -","- C48 H40 N4 Ni -","- C192 H160 N16 Ni4 -","4","1","","Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben","Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides","ACS Catalysis","2021","11","16","10223","10227","10.1021/acscatal.1c02913","","","0.71073","MoKα","","0.2162","0.0756","","","0.1124","0.153","","","","","","0.97","","","","has coordinates,has disorder","268415","2021-09-03","19:40:56",""
"4518984","17.2651","0.0013","8.0978","0.0006","20.5663","0.0016","90","","102.933","0.002","90","","2802.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N4 Ni -","- C32 H40 N4 Ni -","- C128 H160 N16 Ni4 -","4","1","","Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben","Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides","ACS Catalysis","2021","11","16","10223","10227","10.1021/acscatal.1c02913","","","0.71073","MoKα","","0.0863","0.0468","","","0.0965","0.1106","","","","","","1.028","","","","has coordinates,has disorder","268416","2021-09-03","19:41:23",""
"4518985","8.1133","0.0001","10.8783","0.0002","30.3409","0.0005","90","","91.993","0.002","90","","2676.23","0.07","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 Fe N2 O2 P2 -","- C19 H42 Fe N2 O2 P2 -","- C76 H168 Fe4 N8 O8 P8 -","4","1","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","1.54184","CuKα","","0.0651","0.0538","","","0.135","0.1445","","","","","","1.054","","","","has coordinates","268417","2021-09-03","19:42:25",""
"4518986","8.1307","0.0005","13.0711","0.0008","13.4922","0.0009","74.165","0.005","79.061","0.005","83.962","0.005","1352.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 Fe N2 O2 P2 -","- C25 H44 Fe N2 O2 P2 -","- C50 H88 Fe2 N4 O4 P4 -","2","1","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.1034","0.0638","","","0.145","0.1733","","","","","","1.029","","","","has coordinates","268417","2021-09-03","19:42:28",""
"4518987","11.3294","0.0002","14.7816","0.0003","18.2519","0.0003","110.842","0.0016","92.5202","0.0015","100.479","0.0016","2789.23","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Fe N2 O2 P2 -","- C24 H48 Fe N2 O2 P2 -","- C96 H192 Fe4 N8 O8 P8 -","4","2","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0997","0.0848","","","0.1933","0.1997","","","","","","1.169","","","","has coordinates","268417","2021-09-03","19:42:37",""
"4518988","19.181","0.0006","12.4038","0.0004","22.3606","0.0008","90","","90","","90","","5320","0.3","93","2","93","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H45 Fe N O P2 S -","- C24 H45 Fe N O P2 S -","- C192 H360 Fe8 N8 O8 P16 S8 -","8","0.5","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0255","0.0234","","","0.0598","0.0607","","","","","","1.066","","","","has coordinates","268417","2021-09-03","19:42:40",""
"4518989","8.4036","0.0013","8.9796","0.0011","11.167","0.001","79.028","0.009","81.338","0.01","63.09","0.014","735.69","0.18","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Mo N3 O4 -","- C14 H11 Mo N3 O4 -","- C28 H22 Mo2 N6 O8 -","2","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","x-ray","1.54184","CuKα","","0.117","0.1079","","","0.2775","0.2885","","","","","","1.089","","","","has coordinates","268418","2021-09-03","19:43:28",""
"4518990","13.3874","0.0002","8.8532","0.0001","25.1701","0.0003","90","","90","","90","","2983.19","0.07","150","0.1","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-1","","- C13 H12 Mo N4 O4 -","- C13 H12 Mo N4 O4 -","- C104 H96 Mo8 N32 O32 -","8","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.077","","","","has coordinates","268419","2021-09-03","19:43:54",""
"4518991","7.898","0.0005","14.1645","0.0008","17.4273","0.001","90","","98.613","0.003","90","","1927.6","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Mo N4 O4 -","- C17 H20 Mo N4 O4 -","- C68 H80 Mo4 N16 O16 -","4","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.34138","GaKα","","0.0665","0.0452","","","0.114","0.1262","","","","","","1.059","","","","has coordinates","268420","2021-09-03","19:44:16",""
"4518992","9.0787","0.0002","9.6059","0.0002","11.9391","0.0003","85.356","0.002","80.16","0.002","68.34","0.002","953.26","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br2 N2 Ni -","- C20 H20 Br2 N2 Ni -","- C40 H40 Br4 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0501","0.0368","","","0.0844","0.0891","","","","","","1.043","","","","has coordinates","268421","2021-09-03","19:44:37",""
"4518993","16.5425","0.0005","9.582","0.0003","17.3269","0.0005","90","","109.906","0.001","90","","2582.39","0.14","199.99","","199.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O0.61 P Pd -","- C30 H22 Cl N O0.61 P Pd -","- C120 H88 Cl4 N4 O2.44 P4 Pd4 -","4","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0492","0.0472","","","0.1294","0.1313","","","","","","1.151","","","","has coordinates,has disorder","268422","2021-09-03","19:45:03",""
"4518994","8.9273","0.0003","9.4515","0.0003","11.9381","0.0004","86.117","0.001","80.324","0.001","67.532","0.001","917.58","0.05","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 Ni -","- C20 H20 Cl2 N2 Ni -","- C40 H40 Cl4 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.028","0.0276","","","0.0707","0.071","","","","","","1.068","","","","has coordinates","268423","2021-09-03","19:45:24",""
"4518995","8.0773","0.0004","9.9718","0.0005","13.0748","0.0006","105.435","0.002","91.184","0.002","91.402","0.002","1014.42","0.09","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Br N2 Ni -","- C23 H24 Br N2 Ni -","- C46 H48 Br2 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.027","0.0258","","","0.0669","0.0678","","","","","","1.039","","","","has coordinates","268424","2021-09-03","19:45:47",""
"4518996","8.0595","0.0002","30.6742","0.0007","8.6369","0.0002","90","","112.236","0.002","90","","1976.41","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 N2 Ni -","- C20 H20 Br2 N2 Ni -","- C80 H80 Br8 N8 Ni4 -","4","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0521","0.041","","","0.1012","0.1063","","","","","","1.004","","","","has coordinates","268425","2021-09-03","19:46:09",""
"4518997","27.33","0.011","9.978","0.004","17.222","0.006","90","","90.618","0.013","90","","4696","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 I4 N2 Ni O2 -","- C44 H60 I4 N2 Ni O2 -","- C176 H240 I16 N8 Ni4 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.1036","0.065","","","0.1585","0.1943","","","","","","1.075","","","","has coordinates,has disorder","268427","2021-09-03","19:47:44",""
"4518998","12.7775","0.0013","14.7475","0.0015","15.2774","0.0016","73.188","0.004","86.253","0.004","70.648","0.004","2598.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 I2 N2 Ni2 O6.5 -","- C50 H80 I2 N2 Ni2 O6.5 -","- C100 H160 I4 N4 Ni4 O13 -","2","1","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0524","0.0483","","","0.131","0.1337","","","","","","1.127","","","","has coordinates,has disorder","268427","2021-09-03","19:47:44",""
"4518999","14.7031","0.0009","17.8228","0.0011","23.8035","0.0015","90","","90","","90","","6237.7","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H82 I2 N6 Ni2 O2 -","- C64 H82 I2 N6 Ni2 O2 -","- C256 H328 I8 N24 Ni8 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0296","0.0224","","","0.046","0.0487","","","","","","1.08","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519000","11.0239","0.0009","11.4716","0.0009","13.6693","0.0011","81.983","0.003","78.073","0.003","75.856","0.003","1632.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H55 I N Ni O P -","- C34 H55 I N Ni O P -","- C68 H110 I2 N2 Ni2 O2 P2 -","2","1","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0716","0.0425","","","0.0915","0.1027","","","","","","1.028","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519001","29.259","0.003","29.259","0.003","23.165","0.002","90","","90","","120","","17174","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","NiI(PCy3)2 diethyl ether solvate","","","- C36 H66 I Ni P2 -","- C36 H66 I Ni P2 -","- C648 H1188 I18 Ni18 P36 -","18","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0473","0.032","","","0.0784","0.0861","","","","","","1.067","","","","has coordinates","268427","2021-09-03","19:47:45",""
"4519002","7.4617","0.0017","10.686","0.002","10.939","0.003","90","","97.511","0.01","90","","864.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(COD)NiI]2","","","- C16 H24 I2 Ni2 -","- C16 H24 I2 Ni2 -","- C32 H48 I4 Ni4 -","2","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0414","0.0278","","","0.0499","0.0546","","","","","","1.052","","","","has coordinates","268427","2021-09-03","19:47:45",""
"4519003","6.4476","0.0002","9.4727","0.0003","12.1525","0.0003","96.18","0.002","92.803","0.002","108.433","0.003","697.34","0.04","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0421","0.0385","","","0.1051","0.1054","","","","","","1.0423","","","","has coordinates","268428","2021-09-03","20:23:24",""
"4519004","8.1526","0.0002","9.0963","0.0002","10.4069","0.0002","106.308","0.002","104.374","0.002","103.637","0.002","677.68","0.03","293","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 S -","- C16 H12 N2 S -","- C32 H24 N4 S2 -","2","1","","Bhattacharya, Anwesha; Thirupathi, Annaram; Natarajan, Pradeep; Peruncheralathan, Saravanan","Chemoselective Ullmann Reaction of α-Trisubstituted Thioamides: Synthesis of Novel 2-Iminobenzothiolanes.","ACS omega","2021","6","32","21169","21180","10.1021/acsomega.1c03410","","x-ray","1.54184","CuKα","","0.0424","0.0408","","","0.1094","0.1105","","","","","","1.0462","","","","has coordinates","268429","2021-09-03","20:23:47",""
"4519005","10.246","0.0005","12.0419","0.0007","15.9309","0.0008","92.106","0.001","102.831","0.001","112.696","0.001","1751.64","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Pm-BBP","","","- C48 H30 N4 O2 -","- C48 H30 N4 O2 -","- C96 H60 N8 O4 -","2","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0945","0.0591","","","0.1362","0.1553","","","","","","1.013","","","","has coordinates","268430","2021-09-03","20:24:07",""
"4519006","21.622","0.001","14.9773","0.001","16.9507","0.0009","90","","107.267","0.002","90","","5241.9","0.5","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Py-MBP","","","- C72 H50 N4 O5 -","- C72 H50 N4 O5 -","- C288 H200 N16 O20 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1004","0.0517","","","0.1044","0.115","","","","","","1.02","","","","has coordinates","268431","2021-09-03","20:24:30",""
"4519007","14.4202","0.0006","9.3653","0.0004","37.5025","0.0017","90","","90.967","0.002","90","","5064","0.4","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","TFA salt of Py-BBP","","","- C58 H36 F12 N2 O10 -","- C58 H36 F12 N2 O10 -","- C232 H144 F48 N8 O40 -","4","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1403","0.0678","","","0.1347","0.1661","","","","","","1.05","","","","has coordinates","268432","2021-09-03","20:24:54",""
"4519008","8.6204","0.0005","9.516","0.0005","14.2523","0.0009","108.353","0.002","100.322","0.002","94.923","0.002","1078.97","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Py-BBP","","","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","- C52 H34 Cl6 N2 O2 -","1","0.5","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.0713","0.0447","","","0.0895","0.1023","","","","","","1.028","","","","has coordinates","268433","2021-09-03","20:25:09",""
"4519009","16.6568","0.0009","27.3432","0.0014","16.0488","0.0008","90","","110.19","0.001","90","","6860.3","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pm-MBP","","- C72 H50 Cl12 N8 O5 -","- C72 H50 Cl12 N8 O5 -","- C288 H200 Cl48 N32 O20 -","4","1","","Mukhopadhyay, Arindam; Jindal, Swati; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Contrasting Photochromic and Acidochromic Behaviors of Pyridyl- and Pyrimidylethynylated Mono- and Bis-Benzopyrans.","ACS omega","2021","6","32","21113","21124","10.1021/acsomega.1c02948","","","0.71073","MoKα","","0.1919","0.1084","","","0.2921","0.3305","","","","","","1.073","","","","has coordinates,has disorder","268434","2021-09-03","20:25:30",""
"4519010","6.9892","0.0012","9.8482","0.0016","17.931","0.003","90","","90.995","0.002","90","","1234","0.4","273","2","273","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C44 H36 F12 Fe4 N2 O8 S4 -","2","0.5","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0665","0.0598","","","0.1497","0.1553","","","","","","1.109","","","","has coordinates,has disorder","268435","2021-09-03","20:25:53",""
"4519011","16.5057","0.0018","14.3305","0.0016","28.243","0.003","90","","90.968","0.002","90","","6679.5","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H10 F6 Fe N O4 S2 -","- C12 H10 F6 Fe N O4 S2 -","- C192 H160 F96 Fe16 N16 O64 S32 -","16","8","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0409","0.0363","","","0.0995","0.1034","","","","","","1.05","","","","has coordinates,has disorder","268436","2021-09-03","20:26:17",""
"4519012","14.385","0.003","20.809","0.005","23.264","0.005","90","","90","","90","","6964","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C256 H304 F48 Fe16 N8 O32 S16 -","8","2","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0573","0.0503","","","0.1251","0.1308","","","","","","1.052","","","","has coordinates","268437","2021-09-03","20:26:42",""
"4519013","10.5371","0.0005","23.5057","0.0012","14.5393","0.0007","90","","90","","90","","3601.1","0.3","273","2","273","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C128 H152 F24 Fe8 N4 O16 S8 -","4","0.25","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0702","0.0634","","","0.1945","0.2055","","","","","","1.057","","","","has coordinates","268438","2021-09-03","20:27:02",""
"4519014","22.883","0.005","9.712","0.002","32.042","0.007","90","","96.052","0.002","90","","7081","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F6 Fe2 N O4 S2 -","- C22 H18 F6 Fe2 N O4 S2 -","- C264 H216 F72 Fe24 N12 O48 S24 -","12","3","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.1215","0.0885","","","0.1997","0.2225","","","","","","1.007","","","","has coordinates,has disorder","268439","2021-09-03","20:27:27",""
"4519015","11.9414","0.0004","15.0754","0.0003","12.8497","0.0005","90","","116.707","0.005","90","","2066.44","0.15","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O9 Ru -","- C18 H16 N4 O9 Ru -","- C72 H64 N16 O36 Ru4 -","4","1","","Zheng, Zhiwei; Arai, Tsuyoshi; Takao, Koichiro","Complexation-Distribution Separated Solvent Extraction Process Designed for Rapid and Efficient Recovery of Inert Platinum Group Metals.","ACS omega","2021","6","33","21809","21818","10.1021/acsomega.1c03565","","","0.71073","MoKα","","0.0601","0.0387","","","0.1017","0.1148","","","","","","0.957","","","","has coordinates","268440","2021-09-03","20:27:53",""
"4519016","12.384","0.006","19.821","0.009","19.834","0.009","103.858","0.013","90.682","0.014","102.42","0.013","4606","4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H70 F42 N4 O12 Sm2 -","- C74 H77 F42 N4 O12 Sm2 -","- C148 H154 F84 N8 O24 Sm4 -","2","1","","Ganaie, Aabid Bashir; Iftikhar, Khalid","Theoretical Modeling (Sparkle RM1 and PM7) and Crystal Structures of the Luminescent Dinuclear Sm(III) and Eu(III) Complexes of 6,6,7,7,8,8,8- Heptafluoro-2,2-dimethyl-3,5-octanedione and 2,3-Bis(2-pyridyl)pyrazine: Determination of Individual Spectroscopic Parameters for Two Unique Eu<sup>3+</sup> Sites.","ACS omega","2021","6","33","21207","21226","10.1021/acsomega.0c05976","","","","","","0.154","","","","","","","","","","","","","","","has coordinates","268441","2021-09-03","20:28:36",""
"4519017","29.5302","0.0009","29.5302","0.0009","51.3571","0.0012","90","","90","","120","","38785","1.9","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H0 Co4 N0 O20 -","- C38 Co4 O20 -","- C684 Co72 O360 -","18","1","","Ji, Chunqing; Liu, Shanshan; Su, Kongzhao; El-Sayed, El-Sayed M.; Liu, Heyuan; Wang, Wenjing; Qiu, Fenglei; Li, Xiyou; Yuan, Daqiang","Pyrogallol[4]arene Coordination Nanocapsule Micelle as Bioinspired Water Reduction Catalyst","ACS Materials Letters","2021","","","1315","1320","10.1021/acsmaterialslett.1c00362","","","1.54184","CuKα","","0.1693","0.0897","","","0.259","0.3065","","","","","","0.95","","","","has coordinates","268442","2021-09-03","20:45:38",""
"4519018","8.6254","0.0003","8.9016","0.0003","10.8499","0.0003","80.225","0.003","85.954","0.003","77.248","0.003","800.24","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 F N O2 P -","- C19 H15 F N O2 P -","- C38 H30 F2 N2 O4 P2 -","2","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0297","0.0277","","","0.0699","0.0714","","","","","","1.038","","","","has coordinates","268443","2021-09-03","21:23:48",""
"4519019","11.1796","0.0004","12.4375","0.0006","14.5087","0.0007","102.974","0.004","93.417","0.004","104.758","0.004","1886.37","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N O4 P -","- C21 H20 N O4 P -","- C84 H80 N4 O16 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0369","0.0318","","","0.0798","0.083","","","","","","1.01","","","","has coordinates","268443","2021-09-03","21:23:49",""
"4519020","8.7838","0.0004","8.7951","0.0004","20.4442","0.0008","90.45","0.003","93.891","0.003","117.301","0.004","1398.88","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N O2 P -","- C15 H16 N O2 P -","- C60 H64 N4 O8 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0404","0.0356","","","0.1038","0.1059","","","","","","1.058","","","","has coordinates","268443","2021-09-03","21:23:49",""
"4519021","13.2516","0.0002","14.607","0.0002","17.427","0.0003","108.164","0.001","109.21","0.001","94.747","0.001","2961.45","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N O2 P -","- C16 H18 N O2 P -","- C128 H144 N8 O16 P8 -","8","4","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0302","0.0281","","","0.0762","0.0779","","","","","","1.034","","","","has coordinates,has disorder","268443","2021-09-03","21:23:49",""
"4519022","8.7408","0.0002","10.399","0.0003","11.263","0.0003","82.043","0.002","85.124","0.002","82.282","0.002","1002.41","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.01 H44.01 N2 O4 P2 -","- C47.014 H44.014 N2 O4 P2 -","- C47.014 H44.014 N2 O4 P2 -","1","0.5","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0366","0.0352","","","0.0898","0.0905","","","","","","1.049","","","","has coordinates,has disorder","268443","2021-09-03","21:23:50",""
"4519023","8.4872","0.0003","11.6741","0.0005","16.8354","0.0006","108.405","0.004","96.291","0.003","90.405","0.003","1571.67","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N O3 P -","- C18 H16 N O3 P -","- C72 H64 N4 O12 P4 -","4","2","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.06","0.0388","","","0.0852","0.0953","","","","","","1.025","","","","has coordinates,has disorder","268443","2021-09-03","21:23:50",""
"4519024","12.1934","0.0001","10.7695","0.0001","13.8808","0.0001","90","","105.735","0.001","90","","1754.48","0.03","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 Cl N O P S -","- C19 H15 Cl N O P S -","- C76 H60 Cl4 N4 O4 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0287","0.0278","","","0.0725","0.0732","","","","","","1.06","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519025","12.1983","0.0001","10.781","0.0001","13.9142","0.0001","90","","104.72","0.001","90","","1769.8","0.03","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O2 P S -","- C20 H18 N O2 P S -","- C80 H72 N4 O8 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0664","0.0666","","","","","","1.03","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519026","18.8671","0.0001","11.7269","0.0001","16.0554","0.0001","90","","95.579","0.001","90","","3535.47","0.04","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N2 O3 P S -","- C19 H15 N2 O3 P S -","- C152 H120 N16 O24 P8 S8 -","8","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.027","0.0269","","","0.0735","0.0736","","","","","","1.071","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519027","9.0779","0.0001","16.1069","0.0002","10.5344","0.0001","90","","102.06","0.001","90","","1506.31","0.03","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N O P S -","- C16 H16 N O P S -","- C64 H64 N4 O4 P4 S4 -","4","1","","Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.","Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions","ACS Sustainable Chemistry & Engineering","2021","9","32","10704","10709","10.1021/acssuschemeng.1c02907","","x-ray","1.54184","CuKα","","0.0257","0.0246","","","0.0638","0.0646","","","","","","1.052","","","","has coordinates","268443","2021-09-03","21:23:50",""
"4519028","17.1942","0.0011","23.7369","0.0013","12.5316","0.0015","90","","114.558","0.001","90","","4651.9","0.7","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H59 B N4 O3 -","- C56 H59 B N4 O3 -","- C224 H236 B4 N16 O12 -","4","0.5","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.0572","0.044","","","0.1126","0.1243","","","","","","1.029","","","","has coordinates","269455","2021-10-03","18:12:17",""
"4519029","18.8852","0.0006","16.4624","0.0005","24.9219","0.0008","90","","90","","90","","7748.1","0.4","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H43 B N4 O3 -","- C48 H43 B N4 O3 -","- C384 H344 B8 N32 O24 -","8","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.1076","0.0507","","","0.1022","0.126","","","","","","1.022","","","","has coordinates","269456","2021-10-03","18:12:47",""
"4519030","20.672","0.004","8.5247","0.0017","21.938","0.004","90","","97.66","0.03","90","","3831.5","1.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H41 B Cl2 N4 O3 -","- C47 H40.8 B Cl2 N4 O3 -","- C188 H163.2 B4 Cl8 N16 O12 -","4","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","0.71073","MoKα","","0.1029","0.0716","","","0.1777","0.2057","","","","","","0.995","","","","has coordinates,has disorder","269457","2021-10-03","18:13:19",""
"4519031","19.5388","0.0003","12.9417","0.0002","39.3208","0.0006","90","","90","","90","","9942.9","0.3","100","0.2","100","0.2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H67 B N4 O3 -","- C60 H67 B N4 O3 -","- C480 H536 B8 N32 O24 -","8","1","","Leonardus, Mario; Rameez, Mohammad; Wu, Wen-Ti; Hung, Chen-Hsiung","Tuning Alkyl Chain Lengths of Oxasmaragdyrins-B(OR)2 for Optimizing Hole-Transport and Efficiency in Perovskite Solar Cells","ACS Applied Energy Materials","2021","4","9","9090","9098","10.1021/acsaem.1c01383","","","1.54178","CuKα","","0.077","0.0735","","","0.183","0.1857","","","","","","1.06","","","","has coordinates,has disorder","269458","2021-10-03","18:13:49",""
"4519032","4.11158","0.00006","4.11158","0.00006","4.11158","0.00006","90","","90","","90","","69.5066","0.0018","293","","293","","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","barium tantalum oxynitride","barium tantalum dioxide nitride","","- Ba N0.58 O2.42 Ta -","- Ba N0.57525 O2.40096 Ta -","- Ba N0.57525 O2.40096 Ta -","1","0.0208333","","Hojamberdiev, Mirabbos; Mora-Hernandez, J. Manuel; Vargas, Ronald; Yamakata, Akira; Yubuta, Kunio; Heppke, Eva Maria; Torres-Martínez, Leticia M.; Teshima, Katsuya; Lerch, Martin","Time-Retrenched Synthesis of BaTaO2N by Localizing an NH3 Delivery System for Visible-Light-Driven Photoelectrochemical Water Oxidation at Neutral pH: Solid-State Reaction or Flux Method?","ACS Applied Energy Materials","2021","4","9","9315","9327","10.1021/acsaem.1c01539","powder diffraction","x-ray","1.5406","CuKα","","","","","0.0248","","","","0.014299","1.57","","","","","","","has coordinates","287938","2023-12-01","16:11:17",""
"4519033","4.11296","0.00007","4.11296","0.00007","4.11296","0.00007","90","","90","","90","","69.577","0.002","293","","293","","","","","","","","synthetic","4","P m -3 m","-P 4 2 3","221","barium tantalum oxynitride","barium tantalum dioxide nitride","","- Ba N0.76 O2.24 Ta -","- Ba N0.76191 O2.23809 Ta -","- Ba N0.76191 O2.23809 Ta -","1","0.0208333","","Hojamberdiev, Mirabbos; Mora-Hernandez, J. Manuel; Vargas, Ronald; Yamakata, Akira; Yubuta, Kunio; Heppke, Eva Maria; Torres-Martínez, Leticia M.; Teshima, Katsuya; Lerch, Martin","Time-Retrenched Synthesis of BaTaO2N by Localizing an NH3 Delivery System for Visible-Light-Driven Photoelectrochemical Water Oxidation at Neutral pH: Solid-State Reaction or Flux Method?","ACS Applied Energy Materials","2021","4","9","9315","9327","10.1021/acsaem.1c01539","powder diffraction","x-ray","1.5406","CuKα","","","","","0.032","","","","0.011351","1.42","","","","","","","has coordinates","287938","2023-12-01","16:11:17",""
"4519034","37.708","0.0007","37.708","0.0007","37.708","0.0007","90","","90","","90","","53616.8","1.7","293.15","","293.15","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C40 H24 Fe3 N6 O14 -","- C40 H24 Fe3 N6 O14 -","- C960 H576 Fe72 N144 O336 -","24","0.5","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0618","0.0548","","","0.1457","0.1502","","","","","","1.138","","","","has coordinates","269461","2021-10-03","19:06:34",""
"4519035","32.5991","0.0009","32.5991","0.0009","32.5991","0.0009","90","","90","","90","","34643.1","1.7","243","","243","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C60 H39 Fe3 N6 O16 -","- C60 H39 Fe3 N6 O16 -","- C480 H312 Fe24 N48 O128 -","8","0.166667","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0803","0.0745","","","0.2002","0.2052","","","","","","1.116","","","","has coordinates,has disorder","269462","2021-10-03","19:07:03",""
"4519036","29.8619","0.0007","29.8619","0.0007","29.8619","0.0007","90","","90","","90","","26628.8","1.1","243","2","243","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C51 H30 Fe3 N6 O16 -","- C51.636 H35.904 Fe3 N6 O16 -","- C413.088 H287.232 Fe24 N48 O128 -","8","0.166667","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0757","0.0718","","","0.1986","0.2026","","","","","","1.055","","","","has coordinates,has disorder","269463","2021-10-03","19:07:41",""
"4519037","33.5266","0.0005","33.5266","0.0005","33.5266","0.0005","90","","90","","90","","37685","1","243","2","243","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C60 H39 Fe3 N9 O16 -","- C60 H39 Fe3 N9 O16 -","- C480 H312 Fe24 N72 O128 -","8","0.166667","","Zhang, Zong-Hui; Fang, Han; Xue, Dong-Xu; Bai, Junfeng","Tuning Open Metal Site-Free <b>ncb</b> Type of Metal-Organic Frameworks for Simultaneously High Gravimetric and Volumetric Methane Storage Working Capacities.","ACS applied materials & interfaces","2021","13","37","44956","44963","10.1021/acsami.1c13757","","","1.54178","CuKα","","0.0879","0.0836","","","0.2322","0.2361","","","","","","1.292","","","","has coordinates,has disorder","269464","2021-10-03","19:08:16",""
"4519038","23.9417","0.0011","9.4035","0.0004","33.0239","0.0019","90","","107.014","0.005","90","","7109.5","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C85 H78 Cl4 N2 O3 P2 -","- C85 H78 Cl4 N2 O3 P2 -","- C340 H312 Cl16 N8 O12 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","0.71073","MoKα","","0.0868","0.069","","","0.1882","0.2038","","","","","","1.022","","","","has coordinates","269465","2021-10-03","19:08:42",""
"4519039","32.3093","0.0008","8.91065","0.00019","24.5282","0.0006","90","","98.619","0.002","90","","6981.8","0.3","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H72 Cl4 N2 O5 P2 -","- C81 H72 Cl4 N2 O5 P2 -","- C324 H288 Cl16 N8 O20 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","0.71073","MoKα","","0.0709","0.0556","","","0.1283","0.1362","","","","","","1.06","","","","has coordinates,has disorder","269466","2021-10-03","19:09:09",""
"4519040","30.9299","0.0003","8.85314","0.00006","23.8928","0.0002","90","","101.858","0.0008","90","","6402.88","0.09","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C77 H66 N2 O7 P2 -","- C77 H66 N2 O7 P2 -","- C308 H264 N8 O28 P8 -","4","0.5","","Sharma, Nidhi; Maciejczyk, Michal; Hall, David; Li, Wenbo; Liégeois, Vincent; Beljonne, David; Olivier, Yoann; Robertson, Neil; Samuel, Ifor D. W.; Zysman-Colman, Eli","Spiro-Based Thermally Activated Delayed Fluorescence Emitters with Reduced Nonradiative Decay for High-Quantum-Efficiency, Low-Roll-Off, Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","37","44628","44640","10.1021/acsami.1c12234","","x-ray","1.54184","CuKα","","0.06","0.0588","","","0.1598","0.1615","","","","","","1.025","","","","has coordinates","269467","2021-10-03","19:09:34",""
"4519041","11.5887","0.0009","11.5887","0.0009","11.5887","0.0009","90","","90","","90","","1556.3","0.2","200","","200","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- Ba8 Ga14.89 Sn31.11 -","- Ba8 Ga14.892 Sn31.108 -","- Ba8 Ga14.892 Sn31.108 -","1","0.0208333","","Dopilka, Andrew; Childs, Amanda; Ovchinnikov, Alexander; Zhao, Ran; Bobev, Svilen; Peng, Xihong; Chan, Candace K.","Structural and Electrochemical Properties of Type VIII Ba<sub>8</sub>Ga<sub>16-δ</sub>Sn<sub>30+δ</sub> Clathrate (δ ≈ 1) during Lithiation.","ACS applied materials & interfaces","2021","13","36","42564","42578","10.1021/acsami.1c07240","","","0.71073","MoKα","","0.0216","0.0192","","","0.033","0.0335","","","","","","1.142","","","","has coordinates","269468","2021-10-03","19:10:00",""
"4519042","8.5562","0.0011","13.0648","0.0017","15.133","0.002","66.568","0.002","89.136","0.003","77.055","0.002","1507.5","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 Cu N6 O9 -","- C27 H22 Cu N6 O5 -","- C54 H44 Cu2 N12 O10 -","2","1","","Khan, Sheeba; Mandal, Sanjay K.","Luminescent 2D Pillared-Bilayer Metal-Organic Coordination Networks for Selective Sensing of ReO<sub>4</sub><sup>-</sup> in Water.","ACS applied materials & interfaces","2021","13","38","45465","45474","10.1021/acsami.1c11606","","x-ray","0.71073","MoKα","","0.0683","0.0481","","","0.1211","0.1282","","","","","","0.967","","","","has coordinates","269469","2021-10-03","19:10:38",""
"4519043","8.6078","0.001","13.3046","0.0014","15.364","0.0015","66.422","0.003","85.75","0.003","76.567","0.003","1568.2","0.3","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O9 Zn -","- C27 H22 N6 O5 Zn -","- C54 H44 N12 O10 Zn2 -","2","1","","Khan, Sheeba; Mandal, Sanjay K.","Luminescent 2D Pillared-Bilayer Metal-Organic Coordination Networks for Selective Sensing of ReO<sub>4</sub><sup>-</sup> in Water.","ACS applied materials & interfaces","2021","13","38","45465","45474","10.1021/acsami.1c11606","","x-ray","0.71073","MoKα","","0.0527","0.0404","","","0.1131","0.1193","","","","","","1.054","","","","has coordinates","269470","2021-10-03","19:11:06",""
"4519044","7.6792","0.0015","22.111","0.004","17.75","0.004","90","","90.29","0.03","90","","3013.8","1.1","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35.5 H31 B Cl N O -","- C35.5 H31 B Cl N O -","- C142 H124 B4 Cl4 N4 O4 -","4","2","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0708","0.0624","","","0.1759","0.1842","","","","","","1.075","","","","has coordinates","269471","2021-10-03","19:11:37",""
"4519045","14.5452","0.0002","14.5452","0.0002","29.1039","0.0008","90","","90","","90","","6157.3","0.2","193","2","193","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C39 H34 B N O -","- C39 H34 B N O -","- C312 H272 B8 N8 O8 -","8","1","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0431","0.0391","","","0.0991","0.1023","","","","","","1.041","","","","has coordinates","269472","2021-10-03","19:12:10",""
"4519046","11.1392","0.0011","16.7428","0.0017","17.1634","0.0018","90","","90","","90","","3201","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0457","0.0413","","","0.1075","0.1109","","","","","","1.032","","","","has coordinates","269473","2021-10-03","19:12:34",""
"4519047","10.938","0.007","10.939","0.006","14.771","0.011","70.553","0.015","70.509","0.017","89.922","0.012","1559","1.8","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H17 Eu N5 O6 -","- C30 H17 Eu N5 O6 -","- C60 H34 Eu2 N10 O12 -","2","1","","Surbella, 3rd, Robert G; Reilly, Dallas D.; Sinnwell, Michael A.; McNamara, Bruce K.; Sweet, Lucas E.; Schwantes, Jon M.; Thallapally, Praveen K.","Multifunctional Two-Dimensional Metal-Organic Frameworks for Radionuclide Sequestration and Detection.","ACS applied materials & interfaces","2021","13","38","45696","45707","10.1021/acsami.1c11018","","x-ray","0.71076","MoKα","","0.0655","0.0509","","","0.0933","0.0986","","","","","","1.138","","","","has coordinates,has disorder","269474","2021-10-03","19:13:11",""
"4519048","8.6105","0.0003","13.6163","0.0005","13.6664","0.0005","81.833","0.001","81.442","0.001","79.354","0.001","1546.32","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 N6 O9 Tb -","- C33 H20 N6 O9 Tb -","- C66 H40 N12 O18 Tb2 -","2","1","","Surbella, 3rd, Robert G; Reilly, Dallas D.; Sinnwell, Michael A.; McNamara, Bruce K.; Sweet, Lucas E.; Schwantes, Jon M.; Thallapally, Praveen K.","Multifunctional Two-Dimensional Metal-Organic Frameworks for Radionuclide Sequestration and Detection.","ACS applied materials & interfaces","2021","13","38","45696","45707","10.1021/acsami.1c11018","","x-ray","0.71073","MoKα","","0.0438","0.0356","","","0.0792","0.0837","","","","","","1.116","","","","has coordinates,has disorder","269474","2021-10-03","19:13:12",""
"4519049","10.8396","0.0005","11.4532","0.0006","17.516","0.0009","99.74","0.004","97.79","0.004","108.442","0.004","1991.16","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41.5 H32.5 Co1.5 N6.5 O10 -","- C41.5 H32.5 Co1.5 N6.5 O10 -","- C83 H65 Co3 N13 O20 -","2","1","","Zhao, Jian; Jiao, Zhuo-Hao; Hou, Sheng-Li; Ma, Yue; Zhao, Bin","Anchoring Ag(I) into Nitro-Functionalized Metal-Organic Frameworks: Effectively Catalyzing Cycloaddition of CO<sub>2</sub> with Propargylic Alcohols under Mild Conditions.","ACS applied materials & interfaces","2021","13","38","45558","45565","10.1021/acsami.1c13438","","","0.71073","MoKα","","0.0724","0.0547","","","0.1497","0.1637","","","","","","1.068","","","","has coordinates,has disorder","269475","2021-10-03","19:13:41",""
"4519050","10.796","0.0005","11.9409","0.0008","14.6196","0.0007","66.034","0.005","84.098","0.004","69.361","0.005","1609.86","0.17","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H34 Al Cl4 N2 Na O8 -","- C27 H34 Al Cl4 N2 Na O8 -","- C54 H68 Al2 Cl8 N4 Na2 O16 -","2","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0554","0.0425","","","0.1105","0.121","","","","","","1.033","","","","has coordinates,has disorder","269476","2021-10-03","19:47:56",""
"4519051","12.4551","0.0006","15.8089","0.001","16.1748","0.0008","65.273","0.005","82.478","0.004","76.607","0.005","2812.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H61 Al2 Cl3 K2 N4 O16 -","- C51 H61 Al2 Cl3 K2 N4 O16 -","- C102 H122 Al4 Cl6 K4 N8 O32 -","2","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","0.71073","MoKα","","0.1083","0.0609","","","0.1058","0.1294","","","","","","1.046","","","","has coordinates","269476","2021-10-03","19:47:57",""
"4519052","12.546","0.0003","15.7343","0.0004","16.4513","0.0005","64.372","0.003","82.396","0.002","76.638","0.002","2846.84","0.15","149.99","0.1","149.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C51 H61 Al2 Cl3 N4 O16 Rb2 -","- C51 H61 Al2 Cl3 N4 O16 Rb2 -","- C102 H122 Al4 Cl6 N8 O32 Rb4 -","2","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0379","0.0323","","","0.0844","0.0884","","","","","","1.029","","","","has coordinates","269476","2021-10-03","19:47:58",""
"4519053","14.9518","0.0002","12.8871","0.0001","16.7675","0.0002","90","","98.577","0.001","90","","3194.72","0.06","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Al Cl3 Cs N2 O8 -","- C26 H31 Al Cl3 Cs N2 O8 -","- C104 H124 Al4 Cl12 Cs4 N8 O32 -","4","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0301","0.028","","","0.0712","0.0727","","","","","","1.046","","","","has coordinates,has disorder","269476","2021-10-03","19:47:58",""
"4519054","15.0779","0.0002","30.1479","0.0004","17.5249","0.0003","90","","114.699","0.002","90","","7237.5","0.2","150","0.13","150","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H76 Al2 K2 N4 O17 -","- C74 H76 Al2 K2 N4 O17 -","- C296 H304 Al8 K8 N16 O68 -","4","1","","Diment, Wilfred T.; Gregory, Georgina L.; Kerr, Ryan W. F.; Phanopoulos, Andreas; Buchard, Antoine; Williams, Charlotte K.","Catalytic Synergy Using Al(III) and Group 1 Metals to Accelerate Epoxide and Anhydride Ring-Opening Copolymerizations","ACS Catalysis","2021","","","12532","12542","10.1021/acscatal.1c04020","","x-ray","1.54184","CuKα","","0.0561","0.0428","","","0.1061","0.1144","","","","","","1.023","","","","has coordinates","269476","2021-10-03","19:47:58",""
"4519055","9.699","0.002","12.175","0.003","14.816","0.004","90.131","0.009","108.339","0.007","103.651","0.008","1608.2","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 B2 F8 Se2 -","- C28 H28 B2 F8 Se2 -","- C56 H56 B4 F16 Se4 -","2","1","","He, Xinxin; Wang, Xinyan; Tse, Ying-Lung Steve; Ke, Zhihai; Yeung, Ying-Yeung","Bis-selenonium Cations as Bidentate Chalcogen Bond Donors in Catalysis","ACS Catalysis","2021","","","12632","12642","10.1021/acscatal.1c03622","","","0.71073","MoKα","","0.0426","0.037","","","0.1063","0.1107","","","","","","1.062","","","","has coordinates","269477","2021-10-03","19:48:41",""
"4519056","8.852","0.0008","12.885","0.0011","13.9065","0.0012","77.061","0.003","87.047","0.003","72.519","0.003","1474.3","0.2","200","2","200","","","","","","","","","5","P 1","P 1","1","","","","- C64 H64 Cl3 N3 O9 -","- C64 H64 Cl3 N3 O9 -","- C64 H64 Cl3 N3 O9 -","1","1","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","1.54178","CuKα","","0.0489","0.0478","","","0.1286","0.1301","","","","","","1.035","","","","has coordinates,has disorder","269478","2021-10-03","19:49:11",""
"4519057","23","0.004","8.9861","0.0017","25.676","0.005","90","","96.451","0.006","90","","5273.1","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Br2 N2 O4 -","- C25 H26 Br2 N2 O4 -","- C200 H208 Br16 N16 O32 -","8","4","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","0.71073","MoKα","","0.1914","0.0722","","","0.142","0.1889","","","","","","1.019","","","","has coordinates,has disorder","269479","2021-10-03","19:49:34",""
"4519058","7.2101","0.0001","12.4785","0.0002","26.7627","0.0005","90","","90","","90","","2407.87","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C104 H116 N4 O20 -","4","1","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","1.54178","CuKα","","0.0429","0.0389","","","0.1058","0.1109","","","","","","1.022","","","","has coordinates","269480","2021-10-03","19:49:57",""
"4519059","11.7183","0.0004","14.6907","0.0005","21.1331","0.0007","90","","100.812","0.001","90","","3573.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Cl2 P2 Pd -","- C35 H56 Cl2 P2 Pd -","- C140 H224 Cl8 P8 Pd4 -","4","1","","Zhu, Bin-Bin; Ye, Wen-Bo; He, Zhi-Tao; Zhang, Shu-Sheng; Feng, Chen-Guo; Lin, Guo-Qiang","Regioselective Tandem C–H Alkylation/Coupling Reaction of ortho-Iodophenylethylenes via C,C-Pallada(II)cycles","ACS Catalysis","2021","11","19","12123","12132","10.1021/acscatal.1c03386","","","0.71073","MoKα","","0.0458","0.0394","","","0.1045","0.1099","","","","","","1.039","","","","has coordinates","269481","2021-10-03","19:50:20",""
"4519060","8.1288","0.0002","13.7875","0.0004","16.7891","0.0006","90","","90","","90","","1881.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O3 -","- C20 H18 Br N O3 -","- C80 H72 Br4 N4 O12 -","4","1","","Xia, Jin-Tao; Li, Ling; Hu, Xiang-Ping","Copper-Catalyzed Decarboxylative Propargylic Alkylation of Enol Carbonates: Stereoselective Synthesis of Quaternary α-Amino Acids","ACS Catalysis","2021","11","19","11843","11848","10.1021/acscatal.1c03421","","","0.71073","MoKα","","0.0498","0.0389","","","0.0948","0.1013","","","","","","1.028","","","","has coordinates","269482","2021-10-03","19:50:53",""
"4519061","7.1752","0.0002","8.6053","0.0002","18.3209","0.0005","83.552","0.002","89.982","0.002","67.377","0.003","1036.44","0.05","123","2","123","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl2 N3 Rh -","- C21 H26 Cl2 N3 Rh -","- C42 H52 Cl4 N6 Rh2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives","ACS Catalysis","2021","11","19","12375","12383","10.1021/acscatal.1c03603","","","0.71073","MoKα","","0.0338","0.0303","","","0.0697","0.0715","","","","","","1.039","","","","has coordinates","269483","2021-10-03","19:51:16",""
"4519062","9.4517","0.0005","10.586","0.0007","13.7057","0.0007","109.919","0.006","90.438","0.004","106.701","0.006","1226.4","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 Si -","- C31 H27 N3 Si -","- C62 H54 N6 Si2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives","ACS Catalysis","2021","11","19","12375","12383","10.1021/acscatal.1c03603","","","1.54184","CuKα","","0.1242","0.0971","","","0.2811","0.3174","","","","","","1.199","","","","has coordinates","269484","2021-10-03","19:51:48",""
"4519063","8.18927","0.00008","12.80314","0.0001","10.83576","0.00009","90","","97.8768","0.0008","90","","1125.39","0.017","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0273","0.0268","","","0.0682","0.0687","","","","","","1.057","","","","has coordinates","269485","2021-10-03","19:52:09",""
"4519064","10.41118","0.00008","17.39267","0.00012","36.5868","0.0002","90","","90","","90","","6625.07","0.08","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Cl3 Co2 I4 O4 -","- C73 H71 Cl3 Co2 I4 O4 -","- C292 H284 Cl12 Co8 I16 O16 -","4","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1226","0.1232","","","","","","1.087","","","","has coordinates","269486","2021-10-03","19:52:41",""
"4519065","15.6752","0.0009","13.0378","0.0008","17.6651","0.0012","90","","110.456","0.002","90","","3382.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N4 O2 -","- C44 H34 N4 O2 -","- C176 H136 N16 O8 -","4","1","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0687","0.0458","","","0.1024","0.1179","","","","","","1.018","","","","has coordinates","269487","2021-10-03","19:53:07",""
"4519066","10.5707","0.0012","14.0848","0.0015","22.353","0.002","90","","94.915","0.004","90","","3315.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","2","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0938","0.0558","","","0.1221","0.1432","","","","","","1.069","","","","has coordinates","269488","2021-10-03","19:53:31",""
"4519067","10.1004","0.0014","10.721","0.0013","13.77","0.002","89.487","0.004","78.138","0.005","80.183","0.004","1437.4","0.3","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","2","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.1164","0.0654","","","0.1461","0.1759","","","","","","1.039","","","","has coordinates","269489","2021-10-03","19:53:54",""
"4519068","15.2287","0.0007","12.7164","0.0005","8.0895","0.0003","90","","92.882","0.001","90","","1564.58","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O6 -","- C14 H18 N2 Ni O6 -","- C56 H72 N8 Ni4 O24 -","4","0.5","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","1.54178","CuKα","","0.0323","0.0317","","","0.0838","0.0843","","","","","","1.089","","","","has coordinates","269490","2021-10-03","19:54:19",""
"4519069","16.7476","0.0011","9.0897","0.0005","18.6802","0.0012","90","","96.74","0.002","90","","2824","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O2 -","- C36 H30 N4 O2 -","- C144 H120 N16 O8 -","4","1","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0652","0.0452","","","0.1068","0.1212","","","","","","1.031","","","","has coordinates","269491","2021-10-03","19:54:43",""
"4519070","10.5571","0.0002","12.9667","0.0004","21.3679","0.0006","90","","90","","90","","2925.07","0.13","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VL_909_aftercol_250K","","","- C31 H31 N O6.5 S -","- C31 H31 N O6.5 S -","- C124 H124 N4 O26 S4 -","4","1","","Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José","Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers","ACS Catalysis","2021","11","19","12133","12145","10.1021/acscatal.1c03390","","","0.71073","MoKα","","0.0567","0.0483","","","0.1353","0.1444","","","","","","0.999","","","","has coordinates,has disorder","269492","2021-10-03","19:55:08",""
"4519071","18.3668","0.0011","18.3668","0.0011","49.803","0.003","90","","90","","120","","14549.7","1.5","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C31 H23 Cu2 N3 O13 P2 -","- C31 H23 Cu2 N3 O13 P2 -","- C372 H276 Cu24 N36 O156 P24 -","12","1","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.1819","0.1062","","","0.2921","0.3301","","","","","","0.974","","","","has coordinates","269493","2021-10-03","20:32:06",""
"4519072","16.652","0.0012","33.684","0.002","16.5376","0.0012","90","","90.498","0.001","90","","9275.7","1.1","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H40 Cu3 N7 O24 P3 -","- C62 H40 Cu3 N7 O24 P3 -","- C248 H160 Cu12 N28 O96 P12 -","4","0.5","","Han, Jing-Hua; Hu, Bing-Qian; Li, Tangming; Liang, Hao; Yu, Fan; Zhao, Qiang; Li, Bao","Synthesis, Structures, and Sorption Properties of Two New Metal-Organic Frameworks Constructed by the Polycarboxylate Ligand Derived from Cyclotriphosphazene.","ACS omega","2021","6","36","23110","23116","10.1021/acsomega.1c02492","","","0.71073","MoKα","","0.0586","0.0467","","","0.14","0.1469","","","","","","1.012","","","","has coordinates","269494","2021-10-03","20:32:33",""
"4519073","10.5327","0.0013","13.9466","0.0018","15.712","0.002","63.727","0.002","74.453","0.002","78.923","0.002","1986.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H50 F6 Fe N7 O Sb -","- C40 H50 F6 Fe N7 O Sb -","- C80 H100 F12 Fe2 N14 O2 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0771","0.0489","","","0.1284","0.1473","","","","","","1.008","","","","has coordinates,has disorder","269495","2021-10-03","20:32:56",""
"4519074","9.9783","0.0012","10.928","0.0013","11.3674","0.0014","75.369","0.0018","88.574","0.0019","66.4191","0.0018","1095.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","- C44 H56 F6 Fe N8 Sb -","1","0.5","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.0294","0.0257","","","0.0673","0.0713","","","","","","1.012","","","","has coordinates,has disorder","269496","2021-10-03","20:33:14",""
"4519075","11.502","0.004","13.713","0.004","13.952","0.004","66.47","0.007","82.509","0.008","78.86","0.007","1976.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 F6 Fe N6 Sb -","- C40 H50 F6 Fe N6 Sb -","- C80 H100 F12 Fe2 N12 Sb2 -","2","1","","Khade, Rahul L.; Abucayon, Erwin G.; Powell, Douglas R.; Richter-Addo, George B.; Zhang, Yong","Insights into the Observed trans-Bond Length Variations upon NO Binding to Ferric and Ferrous Porphyrins with Neutral Axial Ligands","ACS Omega","2021","6","38","24777","24787","10.1021/acsomega.1c03610","","","0.71073","MoKα","","0.1506","0.0732","","","0.1527","0.1872","","","","","","1.012","","","","has coordinates,has disorder","269497","2021-10-03","20:33:34",""
"4519076","16.2677","0.0002","16.0705","0.0002","11.287","0.0002","90","","90","","90","","2950.76","0.07","296","2","296.15","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H48 N4 O6 Ta -","- C22 H48 N4 O6 Ta -","- C88 H192 N16 O24 Ta4 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0172","0.0148","","","0.0377","0.0387","","","","","","1.0435","","","","has coordinates","269498","2021-10-03","20:34:07",""
"4519077","11.4733","0.0003","16.5773","0.0004","17.1424","0.0004","90","","95.6888","0.0017","90","","3244.36","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H50 N4 O6 Ta -","- C25 H50 N4 O6 Ta -","- C100 H200 N16 O24 Ta4 -","4","1","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","x-ray","0.71073","MoKα","","0.0829","0.0636","","","0.157","0.1715","","","","","","1.1031","","","","has coordinates,has disorder","269499","2021-10-03","20:34:44",""
"4519078","24.089","0.0012","13.5356","0.0007","18.7495","0.0009","90","","105.603","0.002","90","","5888.2","0.5","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Ta(NtBu)(mdpa)3","","","- C42 H84 N6 O14 Ta2 -","- C42 H84 N6 O14 Ta2 -","- C168 H336 N24 O56 Ta8 -","4","0.5","","Hwang, Jeong Min; Lee, Sung Kwang; Shin, Sunyoung; Jeong, Ji-Seoung; Kim, Hae Sun; Ryu, Ji Yeon; Eom, Taeyong; Park, Bo Keun; Kim, Chang Gyoun; Chung, Taek-Mo","New Volatile Tantalum Imido Precursors with Carboxamide Ligands","ACS Omega","2021","6","38","24795","24802","10.1021/acsomega.1c03659","","","0.71073","MoKa","","0.0252","0.0228","","","0.0564","0.0572","","","","","","1.093","","","","has coordinates","269500","2021-10-03","20:35:09",""
"4519079","5.9104","0.0013","11.2158","0.0016","31.305","0.008","90","","90.21","0.02","90","","2075.2","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,1'-([2,2':5',2''-terthiophene]-5,5''-diyl)bis(2,2-dimethylpropan-1-one)","","- C22 H24 O2 S3 -","- C22 H24 O2 S3 -","- C88 H96 O8 S12 -","4","1","","Langhals, Heinz; Schlücker, Thorben; Reiners, Felix; Karaghiosoff, Konstantin","Terminal Terthiophenediones: Fast-Decay Fluorescent Dyes and Their Efficient Syntheses","ACS Omega","2021","6","38","24973","24980","10.1021/acsomega.1c04010","","","0.71073","MoKα","","0.1885","0.0798","","","0.0762","0.1009","","","","","","0.975","","","","has coordinates","269501","2021-10-03","20:35:38",""
"4519080","17.223","0.004","8.252","0.002","15.149","0.004","90","","99.137","0.004","90","","2125.7","0.9","130","2","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 B F4 N2 O2 -","- C18 H33 B F4 N2 O2 -","- C72 H132 B4 F16 N8 O8 -","4","1","","del Río, Enrique; Vidil, Thomas; Gati, Wafa; Grau, Étienne; Taton, Daniel; Cramail, Henri","Ester-Containing Imidazolium-Type Ionic Liquid Crystals Derived from Bio-based Fatty Alcohols","ACS Sustainable Chemistry & Engineering","2021","9","37","12687","12698","10.1021/acssuschemeng.1c05122","","","1.54178","CuKα","","0.0824","0.0702","","","0.1801","0.189","","","","","","0.955","","","","has coordinates","269502","2021-10-03","21:17:00",""
"4519081","11.672","0.002","13.783","0.003","13.798","0.003","107.44","0.03","93.06","0.03","97.48","0.03","2089.7","0.8","213","2","213.15","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 N2 O3 S -","- C56 H42 N2 O3 S -","- C112 H84 N4 O6 S2 -","2","1","","Wang, Ruifang; Li, Zhiyi; Hu, Taiping; Tian, Lei; Hu, Xiaoxiao; Liu, Shihao; Cao, Chen; Zhu, Ze-Lin; Tan, Ji-Hua; Yi, Yuanping; Wang, Pengfei; Lee, Chun-Sing; Wang, Ying","Two-Channel Space Charge Transfer-Induced Thermally Activated Delayed Fluorescent Materials for Efficient OLEDs with Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","41","49066","49075","10.1021/acsami.1c12627","","","0.71073","MoKα","","0.0821","0.0679","","","0.1309","0.1377","","","","","","1.158","","","","has coordinates","270222","2021-11-03","19:59:59",""
"4519082","13.3772","0.0012","14.077","0.0012","15.7032","0.0015","67.135","0.004","77.482","0.005","85.123","0.004","2660","0.4","238","2","238","2","","","","","","","","5","P -1","-P 1","2","","","","- C66.5 H54 N2 O S -","- C66.5 H54 N2 O S -","- C133 H108 N4 O2 S2 -","2","1","","Wang, Ruifang; Li, Zhiyi; Hu, Taiping; Tian, Lei; Hu, Xiaoxiao; Liu, Shihao; Cao, Chen; Zhu, Ze-Lin; Tan, Ji-Hua; Yi, Yuanping; Wang, Pengfei; Lee, Chun-Sing; Wang, Ying","Two-Channel Space Charge Transfer-Induced Thermally Activated Delayed Fluorescent Materials for Efficient OLEDs with Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","41","49066","49075","10.1021/acsami.1c12627","","","1.54178","CuKα","","0.1123","0.0793","","","0.2285","0.27","","","","","","1.086","","","","has coordinates","270223","2021-11-03","20:00:24",""
"4519083","15.805","0.0006","15.805","0.0006","22.386","0.003","90","","90","","90","","5592","0.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H12 Cu2 N10 O4 -","- C14 H12 Cu2 N10 O4 -","- C112 H96 Cu16 N80 O32 -","8","0.5","","Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong","A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.","ACS applied materials & interfaces","2021","13","41","49509","49518","10.1021/acsami.1c15240","","","1.54178","CuKα","","0.1024","0.0585","","","0.152","0.1838","","","","","","1.034","","","","has coordinates","270224","2021-11-03","20:01:24",""
"4519084","15.7354","0.0003","15.7354","0.0003","22.597","0.0006","90","","90","","90","","5595.1","0.2","265.94","0.12","265.94","0.12","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C18 H21 Cu2 N11 O5 -","- C18 H21 Cu2 N11 O5 -","- C144 H168 Cu16 N88 O40 -","8","0.5","","Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong","A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.","ACS applied materials & interfaces","2021","13","41","49509","49518","10.1021/acsami.1c15240","","x-ray","1.54184","CuKα","","0.0937","0.0665","","","0.1762","0.198","","","","","","1.084","","","","has coordinates,has disorder","270224","2021-11-03","20:01:25",""
"4519085","15.7418","0.0002","15.7418","0.0002","22.3494","0.0006","90","","90","","90","","5538.28","0.18","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H12 Cu2 N10 O11 -","- C14 H12 Cu2 N10 O11 -","- C112 H96 Cu16 N80 O88 -","8","0.5","","Wang, Lu; Wang, Kecheng; An, Hao-Tian; Huang, Hongliang; Xie, Lin-Hua; Li, Jian-Rong","A Hydrolytically Stable Cu(II)-Based Metal-Organic Framework with Easily Accessible Ligands for Water Harvesting.","ACS applied materials & interfaces","2021","13","41","49509","49518","10.1021/acsami.1c15240","","","1.54178","CuKα","","0.1098","0.07","","","0.1671","0.1885","","","","","","1.083","","","","has coordinates,has disorder","270224","2021-11-03","20:01:25",""
"4519086","12.695","0.0005","9.0348","0.0003","9.2339","0.0003","90","","91.204","0.003","90","","1058.86","0.06","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Fe2 Mo2 Na O12 P -","- Fe2 Mo2 Na O12 P -","- Fe8 Mo8 Na4 O48 P4 -","4","1","","Wu, Yun; Cao, Zhenyu; Song, Limei; Gao, Jianhua","NaFe<sub>2</sub>PO<sub>4</sub>(MoO<sub>4</sub>)<sub>2</sub>: A Promising NASICON-Type Electrode Material for Sodium-Ion Batteries.","ACS applied materials & interfaces","2021","13","41","48865","48871","10.1021/acsami.1c15010","","","0.71073","MoKα","","0.0549","0.0497","","","0.1342","0.1395","","","","","","1.071","","","","has coordinates","270225","2021-11-03","20:01:57",""
"4519087","27.177","0.004","27.177","0.004","11.273","0.002","90","","90","","120","","7211","2","293","2","293","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C14 H12 N4 O5 Zn -","- C14 H12 N4 O5 Zn -","- C252 H216 N72 O90 Zn18 -","18","1","","Zhang, You; Wang, Juping; Zhao, Shuai; Serdechnova, Maria; Blawert, Carsten; Wang, Hao; Zheludkevich, Mikhail L.; Chen, Fei","Double-Ligand Strategy to Construct an Inhibitor-Loaded Zn-MOF and Its Corrosion Protection Ability for Aluminum Alloy 2A12.","ACS applied materials & interfaces","2021","13","43","51685","51694","10.1021/acsami.1c13738","","","0.71073","MoKα","","0.1121","0.0792","","","0.1214","0.1308","","","","","","1.13","","","","has coordinates","270226","2021-11-03","20:02:45",""
"4519088","54.739","0.009","5.6219","0.0008","36.439","0.006","90","","121.647","0.004","90","","9546","3","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N -","- C16 H12 N -","- C512 H384 N32 -","32","4","","Zhou, Pan-Ke; Zong, Lu-Lu; Song, Kai-Yue; Yang, Zhen-Cong; Li, Hao-Hong; Chen, Zhi-Rong","Embedding Azobenzol-Decorated Tetraphenylethylene into the Polymer Matrix to Implement a Ternary Memory Device with High Working Temperature/Humidity.","ACS applied materials & interfaces","2021","13","42","50350","50357","10.1021/acsami.1c14686","","x-ray","0.71073","MoKα","","0.2348","0.1272","","","0.3101","0.3748","","","","","","1.056","","","","has coordinates","270227","2021-11-03","20:03:12",""
"4519089","3.8139","0.0002","24.994","0.003","14.5959","0.0008","90","","90","","90","","1391.3","0.2","100","0.1","100","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C9 H5 F3 Fe3 Li O10 -","- C9 H5 F3 Fe3 Li O10 -","- C36 H20 F12 Fe12 Li4 O40 -","4","0.5","","Jiang, Xue; Wu, Ben; Bai, Peng; Lyu, Jiafei; Guo, Xianghai","Novel Fluorine-Pillared Metal-Organic Framework for Highly Effective Lithium Enrichment from Brine.","ACS applied materials & interfaces","2021","13","40","47793","47799","10.1021/acsami.1c17080","","x-ray","1.54184","CuKα","","0.2382","0.223","","","0.5019","0.5185","","","","","","2.396","","","","has coordinates","270228","2021-11-03","20:03:48",""
"4519090","3.811","0.0005","25.004","0.005","14.585","0.0013","90","","90","","90","","1389.8","0.4","100","0.1","100","0.1","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C9 H5 F3 Fe3 O10 -","- C9 H5 F3 Fe3 O10 -","- C36 H20 F12 Fe12 O40 -","4","0.5","","Jiang, Xue; Wu, Ben; Bai, Peng; Lyu, Jiafei; Guo, Xianghai","Novel Fluorine-Pillared Metal-Organic Framework for Highly Effective Lithium Enrichment from Brine.","ACS applied materials & interfaces","2021","13","40","47793","47799","10.1021/acsami.1c17080","","x-ray","1.54184","CuKα","","0.205","0.1848","","","0.4317","0.45","","","","","","1.86","","","","has coordinates","270229","2021-11-03","20:04:21",""
"4519091","10.76","0.0003","10.7865","0.0003","13.7635","0.0004","90","","104.181","0.002","90","","1548.75","0.08","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C32 H26 B Br Cl3 F4 N O -","- C32 H26 B Br Cl3 F4 N O -","- C64 H52 B2 Br2 Cl6 F8 N2 O2 -","2","1","","Yoshida, Yasushi; Mino, Takashi; Sakamoto, Masami","Chiral Hypervalent Bromine(III) (Bromonium Salt): Hydrogen- and Halogen-Bonding Bifunctional Asymmetric Catalysis by Diaryl-λ3-bromanes","ACS Catalysis","2021","","","13028","13033","10.1021/acscatal.1c04070","","","1.54178","CuKα","","0.0326","0.031","","","0.0849","0.0868","","","","","","0.686","","","","has coordinates","270230","2021-11-03","20:25:44",""
"4519092","27.73","0.005","7.9612","0.0013","19.899","0.003","90","","115.585","0.005","90","","3962.2","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 Cl4 N O6 -","- C20 H13 Cl4 N O6 -","- C160 H104 Cl32 N8 O48 -","8","1","","Leng, Lingying; Ready, Joseph M.","Hydroesterification and Difunctionalization of Olefins with N-Hydroxyphthalimide Esters","ACS Catalysis","2021","","","13714","13720","10.1021/acscatal.1c03969","","","0.71073","MoKα","","0.0294","0.0256","","","0.0648","0.0663","","","","","","1.038","","","","has coordinates","270231","2021-11-03","20:26:11",""
"4519093","8.611","0.0006","9.7776","0.0006","8.9599","0.0006","90","","105.121","0.008","90","","728.26","0.09","113","2","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N -","- C17 H16 Cl N -","- C34 H32 Cl2 N2 -","2","1","","Pan, Yu-Liang; Shao, Ying-Bo; Wang, Jie; Liu, Zhen; Chen, Li; Li, Xin","Kinetic Resolution of 2H-Azirines by Asymmetric Allylation Reactions","ACS Catalysis","2021","","","13752","13760","10.1021/acscatal.1c03875","","x-ray","0.71073","MoKα","","0.0434","0.0365","","","0.0759","0.0788","","","","","","1.033","","","","has coordinates","270232","2021-11-03","20:26:33",""
"4519094","7.4626","0.0002","8.0078","0.0002","21.165","0.0006","90","","90","","90","","1264.8","0.06","120.04","","120.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C14H12NO2P","","- C14 H12 N O2 P -","- C14 H12 N O2 P -","- C56 H48 N4 O8 P4 -","4","1","","Song, Shu-Yong; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao","Iridium-Catalyzed Enantioselective C–H Borylation of Diarylphosphinates","ACS Catalysis","2021","","","13445","13451","10.1021/acscatal.1c03888","","","1.54178","CuKα","","0.0375","0.0371","","","0.0975","0.098","","","","","","1.039","","","","has coordinates","270233","2021-11-03","20:26:57",""
"4519095","11.6722","0.0002","8.213","0.0002","12.1784","0.0002","90","","100.115","0.001","90","","1149.32","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","1","","Liu, Li-Xia; Huang, Wen-Jun; Xie, Qing-Xian; Wu, Bo; Yu, Chang-Bin; Zhou, Yong-Gui","Dynamic Kinetic Resolution of Flavonoids via Asymmetric Allylic Alkylation: Construction of Two Contiguous Stereogenic Centers on Nucleophiles","ACS Catalysis","2021","","","12859","12863","10.1021/acscatal.1c03732","","","1.54178","CuKα","","0.0507","0.0481","","","0.1202","0.1245","","","","","","1.06","","","","has coordinates","270234","2021-11-03","20:27:19",""
"4519096","10.6678","0.0001","10.723","0.0001","18.8751","0.0003","83.324","0.001","83.81","0.001","76.075","0.001","2074.32","0.04","173","2","172.99","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O2 Si2 -","- C24 H20 O2 Si2 -","- C96 H80 O8 Si8 -","4","2","","Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming","Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O","ACS Catalysis","2021","","","13696","13705","10.1021/acscatal.1c04141","","","1.34139","GaKα","","0.037","0.0335","","","0.0893","0.0919","","","","","","1.037","","","","has coordinates","270235","2021-11-03","20:27:41",""
"4519097","16.228","0.002","16.9453","0.0019","9.6916","0.0012","90","","92.313","0.01","90","","2662.9","0.6","170","2","169.97","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl Co F3 N5 O4 S -","- C21 H30 Cl Co F3 N5 O4 S -","- C84 H120 Cl4 Co4 F12 N20 O16 S4 -","4","1","","Chen, Ke; Zhu, Hongdan; Li, Yuling; Peng, Qian; Guo, Yinlong; Wang, Xiaoming","Dinuclear Cobalt Complex-Catalyzed Stereodivergent Semireduction of Alkynes: Switchable Selectivities Controlled by H2O","ACS Catalysis","2021","","","13696","13705","10.1021/acscatal.1c04141","","","1.34139","GaKα","","0.1673","0.0971","","","0.2199","0.263","","","","","","1.065","","","","has coordinates","270236","2021-11-03","20:28:05",""
"4519098","10.956","0.005","11.975","0.005","22.501","0.009","86.546","0.01","79.404","0.007","67.694","0.01","2684","2","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","2","","Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin","Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes","ACS Catalysis","2021","11","20","12815","12820","10.1021/acscatal.1c03491","","","0.71073","MoKα","","0.0672","0.0463","","","0.1089","0.1215","","","","","","1.032","","","","has coordinates","270237","2021-11-03","20:28:32",""
"4519099","9.9066","0.0004","11.0766","0.0004","11.6203","0.0005","112.849","0.001","92.575","0.001","92.484","0.001","1171.31","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 B N O4 -","- C24 H36 B N O4 -","- C48 H72 B2 N2 O8 -","2","1","","Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin","Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes","ACS Catalysis","2021","11","20","12815","12820","10.1021/acscatal.1c03491","","","0.71073","MoKα","","0.074","0.0458","","","0.1031","0.118","","","","","","1.021","","","","has coordinates","270238","2021-11-03","20:29:05",""
"4519100","23.3649","0.0007","11.1865","0.0003","19.019","0.0005","90","","95.1336","0.0011","90","","4951.1","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 Ge -","- C31 H34 Ge -","- C248 H272 Ge8 -","8","1","","Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo","Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes","ACS Catalysis","2021","11","20","12777","12784","10.1021/acscatal.1c03769","","","0.71073","MoKα","","0.0268","0.024","","","0.0621","0.0638","","","","","","1.043","","","","has coordinates","270240","2021-11-03","20:29:32",""
"4519101","9.1738","0.0017","10.045","0.002","17.518","0.003","90.845","0.006","96.983","0.006","114.712","0.006","1451.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H55 Co P2 -","- C30 H55 Co P2 -","- C60 H110 Co2 P4 -","2","1","","Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo","Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes","ACS Catalysis","2021","11","20","12777","12784","10.1021/acscatal.1c03769","","","0.71073","MoKα","","0.1602","0.1351","","","0.3143","0.3252","","","","","","1.16","","","","has coordinates","270241","2021-11-03","20:29:53",""
"4519102","11.0125","0.0016","6.523","0.0011","14.3222","0.0012","90","","90","","90","","1028.8","0.2","290.69","0.16","290.69","0.16","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","- C40 H32 Br4 N4 O12 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1376","0.0639","","","0.1057","0.1307","","","","","","1.011","","","","has coordinates","270242","2021-11-03","21:12:50",""
"4519103","19.939","0.005","7.058","0.003","8.04","0.003","90","","90","","90","","1131.5","0.7","291.6","0.3","291.6","0.3","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","- C40 H28 Br8 Cl4 O4 -","1","0.125","","Lipon, Tyrchain Mitre; Marpna, Ibakyntiew D.; Wanniang, Kmendashisha; Shangpliang, O. Risuklang; Laloo, Badaker M.; Nongkhlaw, Rishanlang; Myrboh, Bekington","Selenium Dioxide-Mediated Bromination of α,β-Unsaturated Ketones Using <i>N</i>-Bromosuccinimide in the Presence of <i>p</i>-Toluenesulfonic Acid: A Versatile Route for the Synthesis of α'-Bromo-4-arylbut-3-en-2-one and α',α'-Dibromo-4-arylbut-3-en-2-one.","ACS omega","2021","6","41","27466","27477","10.1021/acsomega.1c04352","","x-ray","0.71073","MoKα","","0.1899","0.1168","","","0.2487","0.294","","","","","","1.095","","","","has coordinates","270243","2021-11-03","21:13:08",""
"4519104","7.7137","0.0005","9.9031","0.0011","10.9047","0.0011","92.5","0.008","94.608","0.007","103.797","0.007","804.66","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1416","0.0808","","","0.1835","0.2458","","","","","","1.087","","","","has coordinates,has disorder","270244","2021-11-03","21:13:28",""
"4519105","15.779","0.002","8.8435","0.001","13.4059","0.0017","90","","90","","90","","1870.7","0.4","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H30 Ca Cl2 N2 O8 -","- C11 H30 Ca Cl2 N2 O8 -","- C44 H120 Ca4 Cl8 N8 O32 -","4","1","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.1065","0.0658","","","0.1581","0.203","","","","","","1.089","","","","has coordinates","270245","2021-11-03","21:13:50",""
"4519106","29.327","0.006","5.869","0.0009","12.6542","0.0017","90","","108.828","0.014","90","","2061.5","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 O8 -","- C23 H24 O8 -","- C92 H96 O32 -","4","0.5","","Liu, Kuan-Ting; Chuang, Jia-Yu; Jeng, Ru-Jong; Leung, Man-Kit","Sustainable Synthesis of Cyclic Carbonates from Terminal Epoxides by a Highly Efficient CaI<sub>2</sub>/1,3-Bis[tris(hydroxymethyl)-methylamino]-propane Catalyst.","ACS omega","2021","6","41","27279","27287","10.1021/acsomega.1c04086","","","0.71073","MoKα","","0.0891","0.0742","","","0.1973","0.214","","","","","","1.042","","","","has coordinates","270246","2021-11-03","21:14:13",""
"4519107","20.3394","0.0009","7.8242","0.0003","9.5561","0.0004","90","","100.644","0.002","90","","1494.59","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tribasic silver periodate","","- Ag2 H24 I4 K6 O32 -","- Ag2 H24 I4 K6 O32 -","- Ag4 H48 I8 K12 O64 -","2","0.25","","Spina, Carla J.; Notarandrea-Alfonzo, Johanny E; Guerra, Elizabeth D.; Goodall, Carlie; Bohle, D. Scott; Precht, Rod","Synthesis and Structural and Spectroscopic Studies of a pH-Neutral Argentic Chelate Complex: Tribasic Silver (III) Bisperiodate.","ACS omega","2021","6","41","27017","27025","10.1021/acsomega.1c03523","","","0.71073","MoKα","","0.0264","0.0221","","","0.0495","0.051","","","","","","1.079","","","","has coordinates","270247","2021-11-03","21:14:36",""
"4519108","21.358","0.003","7.2946","0.0011","22.017","0.003","90","","118.225","0.002","90","","3022.3","0.7","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C152 H136 N8 O32 -","8","1","","Mandal, Tirtha; Karmakar, Shilpi; Kapat, Ajoy; Dash, Jyotirmayee","Studies Directed towards the Synthesis of the Acridone Family of Natural Products: Total Synthesis of Acronycines and Atalaphyllidines.","ACS omega","2021","6","41","27062","27069","10.1021/acsomega.1c03629","","","0.71073","MoKα","","0.0651","0.044","","","0.1106","0.1222","","","","","","1.034","","","","has coordinates","270248","2021-11-03","21:15:00",""
"4519109","8.4267","0.0006","14.1473","0.0009","21.5478","0.0013","89.327","0.003","87.798","0.004","75.631","0.004","2486.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.62 H7.25 Cl1.25 O11 Os3 S -","- C16.625 H7.25 Cl1.25 O11 Os3 S -","- C66.5 H29 Cl5 O44 Os12 S4 -","4","2","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0911","0.0636","","","0.1488","0.1674","","","","","","1.059","","","","has coordinates","270249","2021-11-03","21:15:27",""
"4519110","9.0414","0.0004","20.8788","0.0008","22.4877","0.001","65.347","0.002","86.861","0.003","81.045","0.003","3810.9","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","lwk476","","","- C57.8 H26.2 B3 O33 Os9 S3 -","- C57.8 H26.2 B3 O33 Os9 S3 -","- C115.6 H52.4 B6 O66 Os18 S6 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0879","0.063","","","0.1537","0.1724","","","","","","0.99","","","","has coordinates,has disorder","270250","2021-11-03","21:15:53",""
"4519111","8.4854","0.0005","12.0178","0.0006","12.884","0.0007","81.639","0.003","77.714","0.003","76.102","0.003","1240.01","0.12","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H8 Cl2 O12 Os3 S -","- C18 H8 Cl2 O12 Os3 S -","- C36 H16 Cl4 O24 Os6 S2 -","2","1","","Kong, Jia Wen; Lam, Zhiyong; Chan, Kiat Hwa; Ganguly, Rakesh; Joey Lee, Jia-Ying; Loo, Lit-Hsin; Webster, Richard D.; Wong, Zhen Xuan; Leong, Weng Kee","Group VIII Metal Carbonyl Cluster-Boronic Acid Conjugates: Cytotoxicity and Mode of Action Studies","ACS Omega","2021","6","43","29045","29053","10.1021/acsomega.1c04116","","","0.71073","MoKα","","0.0442","0.0392","","","0.1021","0.1054","","","","","","1.081","","","","has coordinates","270251","2021-11-03","21:16:14",""
"4519112","10.601","0.003","7.695","0.002","20.43","0.006","90","","94.097","0.003","90","","1662.3","0.8","153","","153","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Cl O4 -","- C20 H15 Cl O4 -","- C80 H60 Cl4 O16 -","4","1","","Yamazaki, Shoko; Katayama, Kohtaro; Wang, Zhichao; Mikata, Yuji; Morimoto, Tsumoru; Ogawa, Akiya","Sequential Knoevenagel Condensation/Cyclization for the Synthesis of Indene and Benzofulvene Derivatives.","ACS omega","2021","6","42","28441","28454","10.1021/acsomega.1c05283","","","0.71075","MoKα","","0.0384","0.0356","","","0.0928","0.0958","","","","","","1.049","","","","has coordinates","270252","2021-11-03","21:16:37",""
"4519113","15.2336","0.0008","16.3399","0.0007","13.8528","0.0007","90","","90","","90","","3448.2","0.3","293","2","293.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H22 Mn N2 O2 S4 -","- C10 H22 Mn N2 O2 S4 -","- C80 H176 Mn8 N16 O16 S32 -","8","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0958","0.0699","","","0.1928","0.2233","","","","","","1.052","","","","has coordinates","270253","2021-11-03","21:16:59",""
"4519114","15.6601","0.0003","8.15454","0.00013","23.5223","0.0005","90","","108.507","0.002","90","","2848.48","0.1","240","0.1","240","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C20 H42 Mn N2 O2 S4 -","- C20 H42 Mn N2 O2 S4 -","- C80 H168 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0709","0.0679","","","0.1796","0.1825","","","","","","1.099","","","","has coordinates,has disorder","270254","2021-11-03","21:17:25",""
"4519115","12.5433","0.0003","21.2751","0.0005","9.3308","0.0002","90","","102.885","0.002","90","","2427.32","0.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Mn N2 O2 S4 -","- C16 H34 Mn N2 O2 S4 -","- C64 H136 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.048","0.0372","","","0.0947","0.1006","","","","","","1.055","","","","has coordinates,has disorder","270255","2021-11-03","21:17:47",""
"4519116","20.8959","0.0013","8.0893","0.0004","15.3732","0.0009","90","","132.491","0.007","90","","1916.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 Mn N2 O2 S4 -","- C12 H26 Mn N2 O2 S4 -","- C48 H104 Mn4 N8 O8 S16 -","4","0.5","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0301","0.0261","","","0.0612","0.0626","","","","","","1.053","","","","has coordinates","270256","2021-11-03","21:18:09",""
"4519117","7.5898","0.0004","11.8599","0.0005","16.0804","0.0007","70.704","0.004","78.932","0.004","72.591","0.004","1296.59","0.11","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H38 Mn N2 O2 S4 -","- C18 H38 Mn N2 O2 S4 -","- C36 H76 Mn2 N4 O4 S8 -","2","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","x-ray","1.54184","CuKα","","0.0333","0.0308","","","0.0778","0.079","","","","","","1.057","","","","has coordinates","270257","2021-11-03","21:18:30",""
"4519118","11.8338","0.0005","11.9042","0.0004","15.5003","0.0006","90","","106.751","0.002","90","","2090.9","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Mn N2 O2 S4 -","- C14 H30 Mn N2 O2 S4 -","- C56 H120 Mn4 N8 O8 S16 -","4","1","","Alanazi, Abdulaziz M.; McNaughter, Paul D.; Alam, Firoz; Vitorica-Yrezabal, Inigo J; Whitehead, George F. S.; Tuna, Floriana; O'Brien, Paul; Collison, David; Lewis, David J.","Structural Investigations of α-MnS Nanocrystals and Thin Films Synthesized from Manganese(II) Xanthates by Hot Injection, Solvent-Less Thermolysis, and Doctor Blade Routes.","ACS omega","2021","6","42","27716","27725","10.1021/acsomega.1c02907","","","1.54178","CuKα","","0.0356","0.0282","","","0.0634","0.066","","","","","","1.022","","","","has coordinates","270258","2021-11-03","21:18:52",""
"4519119","19.517","0.004","14.714","0.008","9.4101","0.0019","90","","103.29","0.02","90","","2630","1.6","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N5 O4 -","- C27 H31 N5 O4 -","- C108 H124 N20 O16 -","4","1","","Mondal, Surajit; Dey, Swapan","Strategy to Design a Flexible and Macromolecular Sensor to Bind Cd<sup>2+</sup> Ions: A Complete Photophysical Analysis and Bio-Imaging Study.","ACS omega","2021","6","42","27936","27945","10.1021/acsomega.1c03793","","x-ray","0.71073","MoKα","","0.1829","0.061","","","0.1034","0.1429","","","","","","0.944","","","","has coordinates","270259","2021-11-03","21:19:37",""
"4519120","6.6328","0.0005","10.074","0.0008","5.9283","0.0005","90","","122.388","0.002","90","","334.5","0.05","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- F6 H4 Ir Na2 O2 -","- F6 Ir Na2 O2 -","- F12 Ir2 Na4 O4 -","2","0.25","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0144","0.0144","","","0.0357","0.0357","","","","","","1.144","","","","has coordinates","270260","2021-11-03","21:20:11",""
"4519121","7.5963","0.0003","7.5963","0.0003","9.8056","0.0004","90","","90","","120","","490.01","0.03","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- F6 H4 Ir Na3 O2 -","- F6 Ir Na3 O2 -","- F18 Ir3 Na9 O6 -","3","0.166667","","Gubanov, Alexander I.; Smolentsev, Anton I.; Filatov, Evgeny; Kuratieva, Natalia V.; Danilenko, Andrey M.; Korenev, Sergey Vasilievich","Revisiting Sodium Hexafluoroiridates: Perspective Precursors for Electronic, Quantum, and Related Materials.","ACS omega","2021","6","42","27697","27701","10.1021/acsomega.1c02722","","x-ray","0.71073","MoKα","","0.0126","0.0126","","","0.0316","0.0316","","","","","","1.165","","","","has coordinates","270261","2021-11-03","21:20:39",""
"4519122","12.2464","0.0009","12.8292","0.001","15.963","0.0012","70.103","0.001","86.552","0.001","65.453","0.001","2135.4","0.3","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H42 Cl N O5 P2 Pt S -","- C48 H42 Cl N O5 P2 Pt S -","- C96 H84 Cl2 N2 O10 P4 Pt2 S2 -","2","1","","Coffey, Belle; Clough, Lily; Bartkus, Daphne D.; McClellan, Ian C.; Greenberg, Matthew W.; LaFratta, Christopher N.; Tanski, Joseph M.; Anderson, Craig M.","Photophysical Properties of Cyclometalated Platinum(II) Diphosphine Compounds in the Solid State and in PMMA Films.","ACS omega","2021","6","42","28316","28325","10.1021/acsomega.1c04509","","","0.71073","MoKα","","0.0337","0.0262","","","0.0547","0.0577","","","","","","1.049","","","","has coordinates,has disorder","270262","2021-11-03","21:21:04",""
"4519123","18.2471","0.001","26.9246","0.0015","21.8712","0.001","90","","112.775","0.002","90","","9907.4","0.9","210","2","210","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H61.72 Cl6 N35 O16 Zn -","- C66 H61.724 Cl6 N35 O16 Zn -","- C264 H246.896 Cl24 N140 O64 Zn4 -","4","1","","Shen, Hongqun; Liu, Chun; Zheng, Jun; Tao, Zhu; Nie, Haigen; Ni, Xin-Long","Cucurbit[8]uril-Assisted Nucleophilic Reaction: A Unique Supramolecular Approach for Cyanide Detection and Removal from Aqueous Solution.","ACS applied materials & interfaces","2021","13","46","55463","55469","10.1021/acsami.1c17666","","","0.71073","MoKα","","0.0882","0.064","","","0.1889","0.2027","","","","","","1.075","","","","has coordinates,has disorder","271007","2021-12-03","20:03:02",""
"4519124","10.0953","0.0005","7.4452","0.0003","24.3942","0.0011","90","","98.071","0.002","90","","1815.34","0.14","166","2","166.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C76 H88 Br4 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1117","0.0651","","","0.16","0.1952","","","","","","0.979","","","","has coordinates","271008","2021-12-03","20:03:38",""
"4519125","8.1275","0.0009","18.887","0.002","21.237","0.003","90","","99.453","0.004","90","","3215.7","0.7","143.15","","143.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cu1.5 N3 O6 -","- C31 H20 Cu1.5 N3 O6 -","- C124 H80 Cu6 N12 O24 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1638","0.0693","","","0.2007","0.3191","","","","","","0.9352","","","","has coordinates","271009","2021-12-03","20:04:17",""
"4519126","9.832","0.0009","7.4081","0.0006","24.865","0.002","90","","94.101","0.003","90","","1806.4","0.3","300.15","","300.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F N O4 -","- C19 H22 F N O4 -","- C76 H88 F4 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1427","0.0622","","","0.1511","0.1993","","","","","","1.015","","","","has coordinates","271010","2021-12-03","20:04:44",""
"4519127","10.116","0.013","7.483","0.009","24.57","0.04","90","","97.88","0.06","90","","1842","4","150","2","150.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.3129","0.1033","","","0.2417","0.3863","","","","","","0.93","","","","has coordinates","271011","2021-12-03","20:05:20",""
"4519128","9.6487","0.0003","7.3378","0.0002","24.1782","0.0009","90","","91.972","0.001","90","","1710.81","0.1","162.15","","162.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.0895","0.0526","","","0.1221","0.1555","","","","","","1.0796","","","","has coordinates","271012","2021-12-03","20:05:49",""
"4519129","10.1138","0.0007","7.5024","0.0005","24.5925","0.0017","90","","97.092","0.003","90","","1851.7","0.2","300","2","300.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl N O4 -","- C19 H22 Cl N O4 -","- C76 H88 Cl4 N4 O16 -","4","1","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.1118","0.0618","","","0.1597","0.2019","","","","","","1.019","","","","has coordinates","271013","2021-12-03","20:06:20",""
"4519130","8.8163","0.0006","9.9332","0.0007","11.4002","0.0009","90","","95.616","0.003","90","","993.57","0.13","280","2","280.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C46 H50 N2 O8 -","- C46 H50 N2 O8 -","- C46 H50 N2 O8 -","1","0.5","","Seal, Nilanjan; Neogi, Subhadip","Intrinsic-Unsaturation-Enriched Biporous and Chemorobust Cu(II) Framework for Efficient Catalytic CO<sub>2</sub> Fixation and Pore-Fitting Actuated Size-Exclusive Hantzsch Condensation with Mechanistic Validation.","ACS applied materials & interfaces","2021","13","46","55123","55135","10.1021/acsami.1c16984","","","0.71073","MoKα","","0.0742","0.0555","","","0.1403","0.1581","","","","","","1.002","","","","has coordinates","271014","2021-12-03","20:06:40",""
"4519131","7.1525","0.0009","19.669","0.002","14.3443","0.0016","90","","90.578","0.007","90","","2017.9","0.4","273","2","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N4 O6 S2 -","- C20 H18 N4 O6 S2 -","- C80 H72 N16 O24 S8 -","4","1","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0485","0.0425","","","0.106","0.1089","","","","","","1.061","","","","has coordinates","271015","2021-12-03","20:07:18",""
"4519132","15.2513","0.0008","13.8071","0.0008","20.4803","0.0012","90","","90","","90","","4312.7","0.4","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C160 H176 N32 O64 S16 -","8","1","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0885","0.0519","","","0.1162","0.1354","","","","","","1.058","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519133","7.144","0.003","18.382","0.007","8.54","0.003","90","","106.523","0.005","90","","1075.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C40 H44 N8 O16 S4 -","2","0.5","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0636","0.0532","","","0.1469","0.1539","","","","","","1.057","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519134","7.552","0.004","14.641","0.008","9.837","0.005","90","","90.74","0.009","90","","1087.6","1","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C40 H44 N8 O16 S4 -","2","0.5","","Xu, Xiao-Qian; Cao, Li-Hui; Yang, Yan; Zhao, Fang; Bai, Xiang-Tian; Zang, Shuang-Quan","Hybrid Nafion Membranes of Ionic Hydrogen-Bonded Organic Framework Materials for Proton Conduction and PEMFC Applications.","ACS applied materials & interfaces","2021","13","47","56566","56574","10.1021/acsami.1c15748","","","0.71073","MoKα","","0.0396","0.0323","","","0.0931","0.0976","","","","","","1.1","","","","has coordinates","271015","2021-12-03","20:07:19",""
"4519135","20.055","0.0008","12.6443","0.0005","52.3185","0.0019","90","","90","","90","","13267","0.9","190","2","190","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C72 N2 O6 S2 -","- C72 N2 O6 S2 -","- C576 N16 O48 S16 -","8","1","","Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan","Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","47","56413","56419","10.1021/acsami.1c16223","","","1.34139","GaKα","","0.128","0.0817","","","0.225","0.257","","","","","","1.047","","","","has coordinates","271016","2021-12-03","20:07:52",""
"4519136","12.66","0.003","20.017","0.004","52.343","0.01","90","","90","","90","","13265","5","190","2","190","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C21.5 H21.5 N21.5 O21.5 S21.5 -","- C72 H71.088 N2 O6 S2 -","- C576 H568.704 N16 O48 S16 -","8","1","","Liu, Ting-Ting; Yan, Zhi-Ping; Hu, Jia-Jun; Yuan, Li; Luo, Xu-Feng; Tu, Zhen-Long; Zheng, You-Xuan","Chiral Thermally Activated Delayed Fluorescence Emitters-Based Efficient Circularly Polarized Organic Light-Emitting Diodes Featuring Low Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","47","56413","56419","10.1021/acsami.1c16223","","","1.34139","GaKα","","0.0969","0.0534","","","0.1298","0.1476","","","","","","1.004","","","","has coordinates,has disorder","271017","2021-12-03","20:08:41",""
"4519137","6.8606","0.0002","10.2852","0.0003","12.7298","0.0004","85.7031","0.0008","87.599","0.0008","71.4424","0.0008","848.99","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H18.12 N2 O6.06 -","- C20 H18.119 N2 O6.0595 -","- C40 H36.238 N4 O12.119 -","2","2","","Kafle, Prapti; Sanghavi, Rishabh; Khasbaatar, Azzaya; Punjani, Samdisha; Davies, Daniel W.; Diao, Ying","Drastic Modulation of Molecular Packing and Intrinsic Dissolution Rates by Meniscus-Guided Coating of Extremely Confined Pharmaceutical Thin Films.","ACS applied materials & interfaces","2021","13","47","56519","56529","10.1021/acsami.1c08398","","","0.71073","MoKα","","0.035","0.0326","","","0.0845","0.0864","","","","","","1.048","","","","has coordinates","271018","2021-12-03","20:09:12",""
"4519138","15.118","0.003","27.648","0.006","25.134","0.005","90","","90","","90","","10506","4","293","2","293","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C40 H28 N4 O16 Zr3 -","- C40 H28 N4 O16 Zr3 -","- C160 H112 N16 O64 Zr12 -","4","0.25","","Wang, Xiaoning; Zhang, Yan; Shi, Zhixiong; Lu, Tingting; Wang, Qiang; Li, Bao","Multifunctional Zr-MOF Based on Bisimidazole Tetracarboxylic Acid for pH Sensing and Photoreduction of Cr(VI).","ACS applied materials & interfaces","2021","13","45","54217","54226","10.1021/acsami.1c18130","","","0.71073","MoKα","","0.0737","0.0672","","","0.2113","0.2213","","","","","","1.129","","","","has coordinates","271019","2021-12-03","20:09:38",""
"4519139","8.7046","0.0003","11.9983","0.0004","11.516","0.0004","90","","100.577","0.003","90","","1182.3","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H25 F N2 O5 -","- C26 H25 F N2 O5 -","- C52 H50 F2 N4 O10 -","2","1","","Lv, Mingjun; Li, Xiaoxun","Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues","ACS Catalysis","2021","","","14829","14835","10.1021/acscatal.1c04460","","x-ray","1.54184","CuKα","","0.0744","0.0663","","","0.1535","0.1627","","","","","","1.055","","","","has coordinates","271020","2021-12-03","20:38:15",""
"4519140","9.7747","0.0003","7.5306","0.0003","14.5872","0.0004","90","","104.962","0.003","90","","1037.35","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl2 N3 O2 -","- C22 H23 Cl2 N3 O2 -","- C44 H46 Cl4 N6 O4 -","2","1","","Lv, Mingjun; Li, Xiaoxun","Ni(II)-Catalyzed Asymmetric Nitration of Oxindoles: Construction of Cipargamin Analogues","ACS Catalysis","2021","","","14829","14835","10.1021/acscatal.1c04460","","x-ray","1.54184","CuKα","","0.0492","0.0426","","","0.111","0.1158","","","","","","1.084","","","","has coordinates,has disorder","271021","2021-12-03","20:38:36",""
"4519141","22.209","0.009","22.209","","38.44","0.02","90","","90","","120","","16420","11","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C57 H27 Ho4 N2 O26 -","- C59 H23 Ho4 N2 O26 -","- C354 H138 Ho24 N12 O156 -","6","0.25","","Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling","Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation","ACS Catalysis","2021","","","14916","14925","10.1021/acscatal.1c04260","","","0.71073","MoKα","","0.0521","0.0398","","","0.0989","0.1058","","","","","","1.097","","","","has coordinates,has disorder","271022","2021-12-03","20:39:07",""
"4519142","22.06","0.004","22.06","0.004","38.082","0.008","90","0.03","90","0.03","120","0.03","16049","7","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C57 H27 N2 O26 Yb4 -","- C57 H27 N2 O26 Yb4 -","- C342 H162 N12 O156 Yb24 -","6","0.25","","Zhang, Tao; Chen, Hongtai; Liu, Shurong; Lv, Hongxiao; Zhang, Xiutang; Li, Qiaoling","Highly Robust {Ln4}-Organic Frameworks (Ln = Ho, Yb) for Excellent Catalytic Performance on Cycloaddition Reaction of Epoxides with CO2 and Knoevenagel Condensation","ACS Catalysis","2021","","","14916","14925","10.1021/acscatal.1c04260","","","0.71073","MoKα","","0.0305","0.027","","","0.073","0.0754","","","","","","1.048","","","","has coordinates,has disorder","271023","2021-12-03","20:39:38",""
"4519143","10.2505","0.0004","14.9948","0.0006","10.2309","0.0004","90","","90","","90","","1572.53","0.11","193","2","192.99","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H17 F2 N O -","- C18 H17 F2 N O -","- C72 H68 F8 N4 O4 -","4","1","","Ma, Shucheng; Li, Fangjie; Zhang, Guisheng; Shi, Lei; Wang, Xiaoming","Highly Regioselective Difluoroalkylarylation of Butadiene through a Nickel-Catalyzed Tandem Radical Process","ACS Catalysis","2021","","","14848","14853","10.1021/acscatal.1c04237","","","1.34139","GaKα","","0.0564","0.0477","","","0.1218","0.1312","","","","","","1.028","","","","has coordinates","271024","2021-12-03","20:40:00",""
"4519144","4.3952","0.0001","18.1094","0.0003","19.3056","0.0003","82.053","0.001","83.462","0.002","83.034","0.002","1503.24","0.05","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H6 F20 -","- C40 H6 F20 -","- C80 H12 F40 -","2","1","","Takahashi, Rikuro; Seo, Tamae; Kubota, Koji; Ito, Hajime","Palladium-Catalyzed Solid-State Polyfluoroarylation of Aryl Halides Using Mechanochemistry","ACS Catalysis","2021","","","14803","14810","10.1021/acscatal.1c03731","","x-ray","1.54184","CuKα","","0.0676","0.0506","","","0.1287","0.1637","","","","","","1.111","","","","has coordinates","271025","2021-12-03","20:40:22",""
"4519145","9.0642","0.0012","13.1695","0.0018","24.86","0.003","90","","94.902","0.002","90","","2956.7","0.7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B10 N O P Pd -","- C27 H30 B10 N O P Pd -","- C108 H120 B40 N4 O4 P4 Pd4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0328","0.0272","","","0.0654","0.0686","","","","","","1.035","","","","has coordinates","271026","2021-12-03","20:44:07",""
"4519146","22.9926","0.0011","6.5798","0.0003","24.1534","0.0012","90","","115.752","0.002","90","","3291.2","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B10 O3 -","- C11 H18 B10 O3 -","- C88 H144 B80 O24 -","8","2","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0828","0.0528","","","0.1334","0.1492","","","","","","1.035","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519147","6.8374","0.0006","18.2868","0.0015","18.8324","0.0016","90","","90","","90","","2354.7","0.3","225","2","225.27","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C19 H24 B10 O5 -","- C19 H24 B10 O5 -","- C76 H96 B40 O20 -","4","0.5","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34138","GaKα","","0.1419","0.1123","","","0.2766","0.2961","","","","","","1.202","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519148","14.2655","0.0018","19.45","0.003","8.314","0.0011","90","","102.863","0.005","90","","2248.9","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 B10 F3 O -","- C21 H21 B10 F3 O -","- C84 H84 B40 F12 O4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0687","0.0464","","","0.1106","0.1199","","","","","","1.068","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519149","22.445","0.012","8.524","0.005","20.897","0.011","90","","116.232","0.008","90","","3586","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B10 O9 -","- C35 H36 B10 O9 -","- C140 H144 B40 O36 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.1724","0.0882","","","0.2678","0.3467","","","","","","1.021","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519150","12.9702","0.0013","13.498","0.0013","16.6031","0.0016","70.165","0.002","71.761","0.002","64.698","0.002","2423.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 B10 Cl2 N O12 -","- C46 H47 B10 Cl2 N O12 -","- C92 H94 B20 Cl4 N2 O24 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","1.5478","MoKα","","0.1134","0.0834","","","0.2444","0.2836","","","","","","1.069","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519151","15.475","0.0011","25.5038","0.0019","16.9662","0.0012","90","","102.143","0.002","90","","6546.3","0.8","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 B10 N O5 P Pd -","- C43 H42 B10 N O5 P Pd -","- C172 H168 B40 N4 O20 P4 Pd4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1714","0.0747","","","0.1846","0.2321","","","","","","0.979","","","","has coordinates","271026","2021-12-03","20:44:09",""
"4519152","30.248","0.006","12.321","0.002","25.333","0.005","90","","116.221","0.004","90","","8470","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 B10 O -","- C43 H60 B10 O -","- C344 H480 B80 O8 -","8","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1938","0.0888","","","0.1818","0.2224","","","","","","1.023","","","","has coordinates","271026","2021-12-03","20:44:09",""
"4519153","24.4616","0.0012","13.4493","0.0006","18.7508","0.0008","90","","100.232","0.002","90","","6070.7","0.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 B10 O -","- C31 H36 B10 O -","- C248 H288 B80 O8 -","8","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.17","0.1041","","","0.2454","0.2852","","","","","","1.055","","","","has coordinates","271026","2021-12-03","20:44:10",""
"4519154","10.804","0.005","11.906","0.005","25.209","0.011","90.09","0.009","87.216","0.01","88.784","0.011","3238","2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 B20 F8 N2 O2 -","- C66 H58 B20 F8 N2 O2 -","- C132 H116 B40 F16 N4 O4 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.2215","0.1538","","","0.3544","0.3904","","","","","","1.071","","","","has coordinates","271026","2021-12-03","20:44:10",""
"4519155","23.4028","0.0015","10.4909","0.0007","17.9732","0.0013","90","","111.455","0.002","90","","4106.9","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 B10 N O3 S -","- C37 H39 B10 N O3 S -","- C148 H156 B40 N4 O12 S4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.2007","0.1042","","","0.2526","0.2973","","","","","","1.043","","","","has coordinates,has disorder","271026","2021-12-03","20:44:10",""
"4519156","20.541","0.003","21.748","0.003","21.85","0.003","90","","90","","90","","9761","2","296","2","296.15","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C90 H110 B20 N2 O4 -","- C90 H110 B20 N2 O4 -","- C360 H440 B80 N8 O16 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1428","0.0683","","","0.1512","0.1897","","","","","","0.957","","","","has coordinates","271026","2021-12-03","20:44:11",""
"4519157","12.427","0.012","37.88","0.04","13.129","0.013","90","","103.168","0.019","90","","6018","10","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H73 B10 N -","- C54 H73 B10 N -","- C216 H292 B40 N4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.147","0.094","","","0.261","0.32","","","","","","1.05","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519158","11.646","0.002","11.847","0.002","22.42","0.004","91.159","0.003","103.259","0.003","105.903","0.003","2884.2","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H86 B10 O -","- C59 H86 B10 O -","- C118 H172 B20 O2 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.155","0.0775","","","0.179","0.22","","","","","","1.013","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519159","14.9214","0.0009","15.0111","0.001","17.2386","0.0013","108.538","0.002","106.645","0.002","102.932","0.002","3290","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H83 B9 Cl3 N2 O2 -","- C60 H83 B9 Cl3 N2 O2 -","- C120 H166 B18 Cl6 N4 O4 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1456","0.0837","","","0.2288","0.2717","","","","","","1.001","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519160","10.816","0.0018","16.257","0.003","21.721","0.004","100.657","0.01","92.975","0.011","92.071","0.011","3744.3","1.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H67 B10 N5 O6 -","- C93 H67 B10 N5 O6 -","- C186 H134 B20 N10 O12 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34139","GaKα","","0.2533","0.1008","","","0.2114","0.2683","","","","","","1.074","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519161","10.2419","0.0003","15.1653","0.0005","10.3309","0.0003","90","","103.069","0.003","90","","1563.05","0.08","294.3","0.8","294.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 I N2 O3 P -","- C28 H42 I N2 O3 P -","- C56 H84 I2 N4 O6 P2 -","2","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.0664","0.0643","","","0.1636","0.1704","","","","","","1.047","","","","has coordinates","271027","2021-12-03","20:45:53",""
"4519162","10.772","0.0004","13.7803","0.0006","13.8713","0.0006","90","","90","","90","","2059.08","0.15","292.08","0.18","292.08","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 O3 P -","- C25 H21 O3 P -","- C100 H84 O12 P4 -","4","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.063","0.0608","","","0.1528","0.1572","","","","","","1.051","","","","has coordinates","271028","2021-12-03","20:46:15",""
"4519163","11.8935","0.0012","13.9039","0.0016","21.127","0.003","90","","90","","90","","3493.7","0.7","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 Cl3 N O4 P S -","- C33 H37 Cl3 N O4 P S -","- C132 H148 Cl12 N4 O16 P4 S4 -","4","1","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.124","0.0739","","","0.1704","0.2019","","","","","","1.048","","","","has coordinates","271029","2021-12-03","20:46:44",""
"4519164","9.0907","0.0003","19.9189","0.0008","10.3884","0.0004","90","","94.407","0.001","90","","1875.54","0.12","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","2","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.0664","0.044","","","0.1","0.1132","","","","","","1.018","","","","has coordinates","271030","2021-12-03","20:47:06",""
"4519165","5.693","0.002","7.6997","0.0014","17.596","0.004","90","","90.139","0.016","90","","771.3","0.4","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.1057","0.0392","","","0.1027","0.1169","","","","","","1.028","","","","has coordinates","271031","2021-12-03","20:47:27",""
"4519166","6.4329","0.0001","12.0639","0.0002","35.625","0.0005","90","","90","","90","","2764.71","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N2 -","- C31 H50 N2 -","- C124 H200 N8 -","4","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.0344","0.0321","","","0.082","0.0844","","","","","","1.023","","","","has coordinates","271032","2021-12-03","20:47:49",""
"4519167","10.2524","0.0001","10.0212","0.0001","19.2295","0.0002","90","","90.56","0.001","90","","1975.57","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H57 O P -","- C48 H57 O P -","- C96 H114 O2 P2 -","2","1","","Zhang, Xi; Wang, Juan; Yang, Shang-Dong","Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands","ACS Catalysis","2021","11","22","14008","14015","10.1021/acscatal.1c04128","","x-ray","1.54184","CuKα","","0.0473","0.0428","","","0.1019","0.1034","","","","","","1.116","","","","has coordinates","271033","2021-12-03","20:48:12",""
"4519168","10.697","0.004","5.5963","0.0019","12.344","0.004","90","","113.17","0.04","90","","679.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 O -","- C15 H15 F3 O -","- C30 H30 F6 O2 -","2","1","","Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe","Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans","ACS Catalysis","2021","11","22","14293","14301","10.1021/acscatal.1c04523","","x-ray","0.71073","MoKα","","0.0754","0.0485","","","0.1042","0.1261","","","","","","1.045","","","","has coordinates","271034","2021-12-03","20:48:34",""
"4519169","10.224","0.0003","15.6567","0.0005","20.8337","0.0007","102.492","0.001","90.645","0.001","99.746","0.001","3205.02","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 F7 N2 O2 P Pd -","- C33 H28 F7 N2 O2 P Pd -","- C132 H112 F28 N8 O8 P4 Pd4 -","4","2","","Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan","Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants","ACS Catalysis","2021","11","22","14188","14193","10.1021/acscatal.1c04188","","","0.71073","MoKα","","0.0496","0.0371","","","0.082","0.0912","","","","","","1.041","","","","has coordinates,has disorder","271035","2021-12-03","20:48:58",""
"4519170","9.0926","0.0002","10.8538","0.0003","11.6733","0.0003","79.296","0.001","87.955","0.001","81.181","0.001","1118.57","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F7 N3 O5 -","- C21 H18 F7 N3 O5 -","- C42 H36 F14 N6 O10 -","2","1","","Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan","Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants","ACS Catalysis","2021","11","22","14188","14193","10.1021/acscatal.1c04188","","","1.34139","GaKα","","0.0584","0.0534","","","0.1558","0.1606","","","","","","1.083","","","","has coordinates","271036","2021-12-03","20:49:19",""
"4519171","11.2474","0.0002","12.9764","0.0003","13.8903","0.0003","112.797","0.0009","92.8492","0.001","93.8959","0.001","1858.24","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H49 Cl2 N3 O Ru -","- C41 H49 Cl2 N3 O Ru -","- C82 H98 Cl4 N6 O2 Ru2 -","2","1","","Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon","Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions","ACS Catalysis","2021","11","22","13860","13865","10.1021/acscatal.1c04281","","","0.71073","MoKα","","0.0405","0.0309","","","0.0799","0.1054","","","","","","1.295","","","","has coordinates","271037","2021-12-03","20:49:41",""
"4519172","12.4452","0.0014","8.0989","0.0007","17.7051","0.0015","90","","108.065","0.011","90","","1696.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","0.71073","MoKα","","0.0735","0.0502","","","0.1056","0.1185","","","","","","1.065","","","","has coordinates","271038","2021-12-03","20:50:02",""
"4519173","5.2145","0.0004","15.0019","0.0017","21.336","0.0012","92.576","0.008","90.425","0.007","90.701","0.008","1667.2","0.2","179","40","179","40","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.1559","0.1135","","","0.3191","0.3639","","","","","","1.081","","","","has coordinates","271039","2021-12-03","20:50:25",""
"4519174","9.1689","0.0008","9.169","0.0008","11.0996","0.0009","88.373","0.007","77.566","0.007","71.735","0.008","864.57","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C38 H44 N4 O10 -","2","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.0655","0.0557","","","0.1536","0.1662","","","","","","1.047","","","","has coordinates","271040","2021-12-03","20:50:46",""
"4519175","5.474","0.0003","30.8299","0.0018","10.1841","0.0006","90","","103.872","0.007","90","","1668.57","0.17","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.088","0.0754","","","0.195","0.2075","","","","","","1.084","","","","has coordinates","271041","2021-12-03","20:51:08",""
"4519176","9.7613","0.0005","8.8089","0.0004","15.2633","0.0008","90","","107.035","0.003","90","","1254.85","0.11","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","1.54178","CuKα","","0.043","0.0368","","","0.0938","0.0982","","","","","","1.031","","","","has coordinates","271042","2021-12-03","20:51:29",""
"4519177","9.0544","0.0005","18.8627","0.001","9.465","0.0005","90","","115.243","0.003","90","","1462.16","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 Co P3 Si -","- C27 H44 Co P3 Si -","- C54 H88 Co2 P6 Si2 -","2","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","0.71073","MoKα","","0.0375","0.0301","","","0.0617","0.0639","","","","","","1.015","","","","has coordinates","271043","2021-12-03","20:51:50",""
"4519178","10.6577","0.001","12.06","0.0011","17.0706","0.0015","90","","97.183","0.002","90","","2176.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F6 Ir N2 O4 -","- C20 H21 F6 Ir N2 O4 -","- C80 H84 F24 Ir4 N8 O16 -","4","1","","Zhou, Xiaoguang; Malakar, Santanu; Dugan, Thomas; Wang, Kun; Sattler, Aaron; Marler, David O.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Alkane Dehydrogenation Catalyzed by a Fluorinated Phebox Iridium Complex","ACS Catalysis","2021","11","22","14194","14209","10.1021/acscatal.1c03562","","","0.71073","MoKα","","0.0368","0.0305","","","0.0679","0.0707","","","","","","1.004","","","","has coordinates","271044","2021-12-03","20:52:13",""
"4519179","5.1608","0.0001","12.7726","0.0004","25.3964","0.0007","90","","93.866","0.002","90","","1670.24","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","0.71073","MoKα","","0.0746","0.0513","","","0.1156","0.1295","","","","","","1.031","","","","has coordinates,has disorder","271045","2021-12-03","20:52:40",""
"4519180","7.5807","0.00012","11.25264","0.00018","21.8958","0.0005","90","","97.6552","0.0019","90","","1851.13","0.06","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","2","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0599","0.0527","","","0.142","0.1509","","","","","","1.024","","","","has coordinates,has disorder","271046","2021-12-03","20:53:08",""
"4519181","20.07721","0.00019","13.38539","0.00014","17.77134","0.00018","90","","90.3343","0.0009","90","","4775.81","0.08","100.3","0.9","100.3","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H86 O3 P2 Ru -","- C51 H86 O3 P2 Ru -","- C204 H344 O12 P8 Ru4 -","4","1","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0358","0.0319","","","0.0821","0.0856","","","","","","1.027","","","","has coordinates","271047","2021-12-03","20:53:46",""
"4519182","8.219","0.0011","10.4446","0.0011","35.069","0.004","90","","90","","90","","3010.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 2-(3-benzoylthioureido)benzoate","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1138","0.0545","","","0.1101","0.1358","","","","","","0.991","","","","has coordinates,has disorder","271048","2021-12-03","21:37:05",""
"4519183","5.9027","0.0009","10.2604","0.0016","14.288","0.003","108.124","0.01","97.581","0.01","97.514","0.007","801.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((3-benzoylthioureido)methyl)cyclohexanecarboxylic acid","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C32 H40 N4 O6 S2 -","2","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1111","0.0573","","","0.1485","0.1765","","","","","","1.029","","","","has coordinates,has disorder","271049","2021-12-03","21:37:29",""
"4519184","9.4948","0.0013","10.1971","0.001","15.507","0.0019","85.995","0.005","84.791","0.012","89.282","0.01","1491.5","0.3","102","","102","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 F10 N O4 P S2 -","- C26 H24 F10 N O4 P S2 -","- C52 H48 F20 N2 O8 P2 S4 -","2","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0782","0.0454","","","0.0906","0.0981","","","","","","1.01","","","","has coordinates,has disorder","271050","2021-12-03","21:37:53",""
"4519185","16.2282","0.0005","19.4802","0.0005","8.9123","0.0003","90","","90","","90","","2817.43","0.15","170","","170","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24 H24 F6 N O4 P S2 -","- C24 H24 F6 N O4 P S2 -","- C96 H96 F24 N4 O16 P4 S8 -","4","1","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0986","0.0544","","","0.1266","0.1537","","","","","","1.003","","","","has coordinates","271051","2021-12-03","21:38:16",""
"4519186","14.7187","0.0006","17.5538","0.0007","18.1439","0.0007","90","","93.788","0.002","90","","4677.6","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 F2 N O4 P S2 -","- C22 H24 F2 N O4 P S2 -","- C176 H192 F16 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","0.71073","MoKα","","0.0599","0.0425","","","0.0875","0.0947","","","","","","1.059","","","","has coordinates","271052","2021-12-03","21:38:43",""
"4519187","17.6631","0.0004","15.9667","0.0004","19.1524","0.0005","90","","90","","90","","5401.4","0.2","150","2","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H24 F6 N O4 P S2 -","- C25 H24 F6 N O4 P S2 -","- C200 H192 F48 N8 O32 P8 S16 -","8","2","","O’Rourke, Brianna; Lauderback, Clare; Teodoro, Lara I.; Grimm, Morgan; Zeller, Matthias; Mirjafari, Arsalan; Guillet, Gary L.; Hillesheim, Patrick C.","Developing Structural First Principles for Alkylated Triphenylphosphonium-Based Ionic Liquids","ACS Omega","2021","6","47","32285","32296","10.1021/acsomega.1c05241","","","1.54178","CuKα","","0.0428","0.0387","","","0.1033","0.1071","","","","","","1.042","","","","has coordinates,has disorder","271053","2021-12-03","21:39:07",""
"4519188","25.893","0.017","12.764","0.009","18.52","0.012","90","","132.228","0.017","90","","4532","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Fe2 N2 O10 -","- C16 H26 Fe2 N2 O10 -","- C128 H208 Fe16 N16 O80 -","8","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1355","0.076","","","0.1839","0.245","","","","","","1.075","","","","has coordinates","271054","2021-12-03","21:39:29",""
"4519189","9.0333","0.0013","10.5505","0.0015","12.4384","0.0018","70.784","0.005","88.387","0.006","81.848","0.006","1107.9","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Fe2 N2 O11 -","- C16 H28 Fe2 N2 O11 -","- C32 H56 Fe4 N4 O22 -","2","1","","Severa, Godwin; Bruffey, Edward; Nguyen, Phuong Q. H.; Gigante, Angelina; Leick, Noemi; Kelly, Colleen; Finkelstein, Gregory J.; Hagemann, Hans; Gennett, Thomas; Rocheleau, Richard E.; Dera, Przemyslaw","Fe4(OAc)10[EMIM]2: Novel Iron-Based Acetate EMIM Ionic Compound","ACS Omega","2021","6","47","31907","31918","10.1021/acsomega.1c04670","","","0.56086","AgKα","","0.1799","0.1064","","","0.1941","0.2303","","","","","","1.083","","","","has coordinates","271055","2021-12-03","21:39:52",""
"4519190","13.51533","0.00012","13.51533","0.00012","13.51533","0.00012","90","","90","","90","","2468.77","0.04","173","0.1","173","0.1","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C24 H75 Br17 Cu12 O14 Rb6 S12 -","- C24 H74.9988 Br16.9996 Cu12 O13.9992 Rb6 S12 -","- C24 H74.9988 Br16.9996 Cu12 O13.9992 Rb6 S12 -","1","0.0208333","","Li, Yanyan; Zhou, Zhicong; Sheong, Fu Kit; Xing, Zengshan; Lortz, Rolf; Wong, Kam Sing; Sung, Herman H. Y.; Williams, Ian D.; Halpert, Jonathan E.","Tuning the Self-Trapped Emission: Reversible Transformation to 0D Copper Clusters Permits Bright Red Emission in Potassium and Rubidium Copper Bromides","ACS Energy Letters","2021","","","4383","4389","10.1021/acsenergylett.1c01957","","x-ray","1.54184","CuKα","","0.0538","0.0508","","","0.1648","0.1688","","","","","","1.063","","","","has coordinates,has disorder","271056","2021-12-03","21:49:05",""
"4519191","13.3012","0.0003","13.3012","0.0003","13.3012","0.0003","90","","90","","90","","2353.27","0.09","173","0.1","173","0.1","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C24 H75 Br17 Cu12 K6 O14 S12 -","- C18 H56.9988 Br16.9996 Cu12 K6 O13.998 S8.64 -","- C18 H56.9988 Br16.9996 Cu12 K6 O13.998 S8.64 -","1","0.0208333","","Li, Yanyan; Zhou, Zhicong; Sheong, Fu Kit; Xing, Zengshan; Lortz, Rolf; Wong, Kam Sing; Sung, Herman H. Y.; Williams, Ian D.; Halpert, Jonathan E.","Tuning the Self-Trapped Emission: Reversible Transformation to 0D Copper Clusters Permits Bright Red Emission in Potassium and Rubidium Copper Bromides","ACS Energy Letters","2021","","","4383","4389","10.1021/acsenergylett.1c01957","","x-ray","1.54184","CuKα","","0.0703","0.0652","","","0.2075","0.216","","","","","","1.086","","","","has coordinates,has disorder","271057","2021-12-03","21:49:33",""
"4519192","12.4443","0.001","12.4258","0.0011","18.7974","0.0017","90","","108.271","0.003","90","","2760.1","0.4","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C40 H70 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","1","0.25","","Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants","ACS Sustainable Chemistry & Engineering","2021","9","46","15683","15693","10.1021/acssuschemeng.1c06433","","","0.71073","MoKα","","0.1033","0.0499","","","0.1009","0.1171","","","","","","1.011","","","","has coordinates","271058","2021-12-03","22:39:13",""
"4519193","12.398","0.003","12.41","0.003","18.721","0.004","90","","109.145","0.009","90","","2721.1","1.1","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C40 H70 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","- C40 H32 Mo24 N8 O96 P2 Zn8 -","1","0.25","","Chen, Yanhong; Chang, Shenzhen; An, Haiyan; Li, Yanqin; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Two Polymorphic Polyoxometalate-Based Metal–Organic Frameworks for the Efficient Synthesis of Functionalized Sulfoxides and Detoxification of Mustard Gas Simulants","ACS Sustainable Chemistry & Engineering","2021","9","46","15683","15693","10.1021/acssuschemeng.1c06433","","","0.71073","MoKα","","0.1049","0.0815","","","0.1907","0.1999","","","","","","1.071","","","","has coordinates","271058","2021-12-03","22:39:14",""
"4519194","14.0151","0.0004","9.5909","0.0003","9.1204","0.0003","90","","90","","90","","1225.94","0.07","99.97","0.18","99.97","0.18","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H K2 N7 O10 -","- C5 H K2 N7 O10 -","- C20 H4 K8 N28 O40 -","4","1","","Singh, Jatinder; Staples, Richard J.; Shreeve, Jean'ne M.","Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance.","ACS applied materials & interfaces","2021","13","51","61357","61364","10.1021/acsami.1c21510","","x-ray","0.71073","MoKα","","0.0362","0.033","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","271689","2022-01-03","20:09:07",""
"4519195","8.7988","0.0003","9.7297","0.0004","9.9474","0.0005","60.694","0.005","69.675","0.004","70.204","0.004","681.4","0.06","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H11 N11 O10 -","- C5 H11 N11 O10 -","- C10 H22 N22 O20 -","2","1","","Singh, Jatinder; Staples, Richard J.; Shreeve, Jean'ne M.","Pushing the Limit of Nitro Groups on a Pyrazole Ring with Energy-Stability Balance.","ACS applied materials & interfaces","2021","13","51","61357","61364","10.1021/acsami.1c21510","","x-ray","1.54184","CuKα","","0.0613","0.0589","","","0.1768","0.1787","","","","","","1.106","","","","has coordinates","271690","2022-01-03","20:09:32",""
"4519196","9.3836","0.0013","9.4619","0.0011","22.005","0.003","89.869","0.004","88.915","0.004","63.123","0.003","1742.3","0.4","192","2","192","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H48 F9 N3 O6 -","- C27 H48 F9 N3 O6 -","- C54 H96 F18 N6 O12 -","2","1","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.0646","0.0485","","","0.1232","0.137","","","","","","1.015","","","","has coordinates","271691","2022-01-03","20:09:55",""
"4519197","8.5395","0.0005","7.3054","0.0005","17.2626","0.0012","90","","96.494","0.002","90","","1070.01","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C36 H76 N4 O8 -","4","1","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.054","0.0443","","","0.1233","0.1324","","","","","","1.027","","","","has coordinates","271692","2022-01-03","20:10:18",""
"4519198","8.1072","0.0008","7.8957","0.0009","20.389","0.002","90","","90","","90","","1305.1","0.2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H11 N O2 -","- C5 H11 N O2 -","- C40 H88 N8 O16 -","8","1","","Xu, Wei; Liu, Huan; Mei, Fen; Fu, Yanyan; Cao, Huimin; He, Qingguo; Cheng, Jiangong","Supramolecule-Originated Emission: A Room-Temperature Phosphorescence 2D Ionic H-Bond Network from Nonemissive Aliphatic Derivatives.","ACS applied materials & interfaces","2021","13","51","61528","61535","10.1021/acsami.1c18441","","","0.71073","MoKα","","0.0634","0.0515","","","0.1385","0.15","","","","","","1.063","","","","has coordinates","271693","2022-01-03","20:10:52",""
"4519199","27.644","","7.999","","8.166","","90","","90.37","","90","","1805.66","","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H48 Ag Br8 In N4 -","- C16 H44 Ag Br8 In N4 -","- C32 H88 Ag2 Br16 In2 N8 -","2","0.25","","Chen, Da; Niu, Guangda; Hao, Shiqiang; Fan, Liubing; Zhao, Jing; Wolverton, Christopher; Xia, Mengling; Liu, Quanlin","Decreasing Structural Dimensionality of Double Perovskites for Phase Stabilization toward Efficient X-ray Detection.","ACS applied materials & interfaces","2021","13","51","61447","61453","10.1021/acsami.1c20234","","","0.71069","MoKα","","0.0676","0.0517","","","0.1338","0.1435","","","","","","1.06","","","","has coordinates,has disorder","271694","2022-01-03","20:11:25",""
"4519200","11.34511","0.0001","11.51794","0.00011","17.21017","0.00017","107.002","0.0009","100.938","0.0008","90.5325","0.0007","2106.5","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C32 H48 Ag Br8 In N4 -","- C32 H48 Ag Br8 In N4 -","- C64 H96 Ag2 Br16 In2 N8 -","2","1","","Chen, Da; Niu, Guangda; Hao, Shiqiang; Fan, Liubing; Zhao, Jing; Wolverton, Christopher; Xia, Mengling; Liu, Quanlin","Decreasing Structural Dimensionality of Double Perovskites for Phase Stabilization toward Efficient X-ray Detection.","ACS applied materials & interfaces","2021","13","51","61447","61453","10.1021/acsami.1c20234","","","1.54184","CuKα","","0.0346","0.0334","","","0.0975","0.0987","","","","","","1.056","","","","has coordinates","271696","2022-01-03","20:11:53",""
"4519201","16.22","0.013","8.03","0.004","20.02","0.006","90","","94.4","0.2","90","","2600","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 Bi2 O12 -","- C36 H14 Bi2 O12 -","- C144 H56 Bi8 O48 -","4","1","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2115","0.1952","","","0.4108","0.4154","","","","","","2.567","","","","has coordinates","271697","2022-01-03","20:12:15",""
"4519202","16.49","0.006","7.84","0.011","20.95","0.06","90","","98.06","0.07","90","","2682","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 Bi2 O13 -","- C36 H14 Bi2 O13 -","- C144 H56 Bi8 O52 -","4","1","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2391","0.194","","","0.4195","0.4314","","","","","","2.23","","","","has coordinates","271698","2022-01-03","20:12:39",""
"4519203","16.49","0.007","7.76","0.003","20.65","0.02","90","","96.7","0.05","90","","2624","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H40 Bi4 O29 -","- C72 H40 Bi4 O29 -","- C144 H80 Bi8 O58 -","2","0.5","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2163","0.1882","","","0.4244","0.4307","","","","","","2.851","","","","has coordinates","271699","2022-01-03","20:13:01",""
"4519204","16.51","0.03","7.79","0.01","20.59","0.05","90","","97.1","0.2","90","","2628","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 Bi2 O14 -","- C36 H14 Bi2 O14 -","- C144 H56 Bi8 O56 -","4","1","","Aykanat, Aylin; Jones, Christopher G.; Cline, Evan; Stolz, Robert M.; Meng, Zheng; Nelson, Hosea M.; Mirica, Katherine A.","Conductive Stimuli-Responsive Coordination Network Linked with Bismuth for Chemiresistive Gas Sensing.","ACS applied materials & interfaces","2021","13","50","60306","60318","10.1021/acsami.1c14453","","","0.02508","200KeVelectrons","","0.2636","0.1848","","","0.3977","0.4153","","","","","","2.195","","","","has coordinates","271700","2022-01-03","20:13:24",""
"4519205","20.7951","0.0006","20.7951","0.0006","93.704","0.006","90","","90","","120","","35092","3","200","2","200","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C57 H56 Cu4 I4 N22 O2 S6 -","- C56.9991 H55.9992 Cu4 I4 N21.9998 O1.9998 S6 -","- C683.989 H671.99 Cu48 I48 N263.998 O23.9976 S72 -","12","0.333333","","Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying","Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.","ACS applied materials & interfaces","2021","13","49","58498","58507","10.1021/acsami.1c16280","","","0.71073","MoKα","","0.0844","0.0713","","","0.2151","0.2247","","","","","","1.07","","","","has coordinates,has disorder","271701","2022-01-03","20:14:02",""
"4519206","20.5","0.0003","20.5","0.0003","87.071","0.003","90","","90","","120","","31689.2","1.3","110","2","110","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C61.5 H58.5 Cu4 I4 N18.5 O7.5 S6 -","- C64.5 H78 Cu4 I4 N21.5 O4.5 S6 -","- C774 H936 Cu48 I48 N258 O54 S72 -","12","0.333333","","Huang, Huilin; Jing, Xu; Zhong, Bingwen; Meng, Changgong; Duan, Chunying","Cuprous Cluster-Based Coordination Sheets as Photocatalytic Regulators to Activate Oxygen, Benzoquinone, and Thianthrenium Salts.","ACS applied materials & interfaces","2021","13","49","58498","58507","10.1021/acsami.1c16280","","","0.71073","MoKα","","0.0836","0.0649","","","0.1954","0.2092","","","","","","1.13","","","","has coordinates,has disorder","271702","2022-01-03","20:15:21",""
"4519207","31.8746","0.0014","31.8746","0.0014","8.8989","0.0004","90","","90","","120","","7829.9","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H10 Ca N5 O3 -","- C9 H10 Ca N5 O3 -","- C162 H180 Ca18 N90 O54 -","18","1","","Wang, Gang-Ding; Li, Yong-Zhi; Zhang, Wan-Fang; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","Acetylene Separation by a Ca-MOF Containing Accessible Sites of Open Metal Centers and Organic Groups.","ACS applied materials & interfaces","2021","13","49","58862","58870","10.1021/acsami.1c20533","","","0.71073","MoKα","","0.1028","0.0955","","","0.2064","0.2092","","","","","","1.031","","","","has coordinates","271703","2022-01-03","20:15:51",""
"4519208","9.856","0.002","12.359","0.003","16.757","0.006","100.074","0.011","92.094","0.01","105.761","0.011","1926.5","0.9","214","2","214","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 Cl4 F9 Ir N9 -","- C32 H25 Cl4 F9 Ir N9 -","- C64 H50 Cl8 F18 Ir2 N18 -","2","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0371","0.0315","","","0.0755","0.0789","","","","","","1.021","","","","has coordinates,has disorder","271704","2022-01-03","20:16:32",""
"4519209","10.799","0.003","20.957","0.007","17.573","0.003","90","","105.397","0.009","90","","3834.3","1.8","238","2","238","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H18 F18 Ir N9 -","- C33 H18 F18 Ir N9 -","- C132 H72 F72 Ir4 N36 -","4","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0472","0.0313","","","0.0668","0.0734","","","","","","1.021","","","","has coordinates,has disorder","271705","2022-01-03","20:16:59",""
"4519210","12.2678","0.0005","19.0655","0.0008","17.1115","0.0006","90","","106.503","0.001","90","","3837.4","0.3","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H18 F18 Ir N9 -","- C33 H18 F18 Ir N9 -","- C132 H72 F72 Ir4 N36 -","4","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0371","0.0261","","","0.0631","0.0687","","","","","","1.047","","","","has coordinates,has disorder","271706","2022-01-03","20:17:23",""
"4519211","10.4994","0.0004","12.6662","0.0005","16.1742","0.0006","70.579","0.001","87.756","0.001","82.335","0.001","2010.42","0.13","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H30 Cl3 F9 Ir N9 O -","- C34.5 H30 Cl3 F9 Ir N9 O -","- C69 H60 Cl6 F18 Ir2 N18 O2 -","2","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.0541","0.0443","","","0.126","0.1368","","","","","","1.016","","","","has coordinates","271707","2022-01-03","20:17:45",""
"4519212","12.4899","0.0004","17.3458","0.0006","14.1587","0.0005","90","","95.328","0.001","90","","3054.19","0.18","218","2","218","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 F9 Ir N9 -","- C30 H21 F9 Ir N9 -","- C120 H84 F36 Ir4 N36 -","4","1","","You, Caifa; Wang, Xue-Qi; Zhou, Xiuwen; Yuan, Yi; Liao, Liang-Sheng; Liao, Yu-Chan; Chou, Pi-Tai; Chi, Yun","Homoleptic Ir(III) Phosphors with 2-Phenyl-1,2,4-triazol-3-ylidene Chelates for Efficient Blue Organic Light-Emitting Diodes.","ACS applied materials & interfaces","2021","13","49","59023","59034","10.1021/acsami.1c17308","","","0.71073","MoKα","","0.038","0.0254","","","0.0443","0.0484","","","","","","1.027","","","","has coordinates","271708","2022-01-03","20:18:07",""
"4519213","17.4501","0.0006","15.8364","0.0005","15.8064","0.0005","90","","90","","90","","4368","0.2","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C18 H15 Nd O10 -","- C18 H15 Nd O10 -","- C144 H120 Nd8 O80 -","8","1","","Cui, Ruixue; Sun, Wei; Liu, Meiying; Shi, Jing; Liu, Zhiliang","Near-Infrared Emissive Lanthanide Metal-Organic Frameworks for Targeted Biological Imaging and pH-Controlled Chemotherapy.","ACS applied materials & interfaces","2021","13","49","59164","59173","10.1021/acsami.1c20817","","","1.54178","CuKα","","0.0569","0.0492","","","0.1558","0.1643","","","","","","1.102","","","","has coordinates","271709","2022-01-03","20:18:30",""
"4519214","39.602","0.002","39.602","0.002","16.44","0.001","90","","90","","120","","22329","2","298","","298","","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C100 H52 Br N O38.4 S Zr6 -","- C100 H52 Br N O38.408 S Zr6 -","- C300 H156 Br3 N3 O115.224 S3 Zr18 -","3","0.125","","Mercuri, Giorgio; Moroni, Marco; Galli, Simona; Tuci, Giulia; Giambastiani, Giuliano; Yan, Tongan; Liu, Dahuan; Rossin, Andrea","Temperature-Dependent Nitrous Oxide/Carbon Dioxide Preferential Adsorption in a Thiazolium-Functionalized NU-1000 Metal-Organic Framework.","ACS applied materials & interfaces","2021","13","49","58982","58993","10.1021/acsami.1c21437","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","271710","2022-01-03","20:19:00",""
"4519215","28.383","0.005","7.78","0.005","10.692","0.005","90","0.005","91.439","0.005","90","0.005","2360.3","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20.5 N2 O9.25 S2 -","- C24 H20 N2 O9.25 S2 -","- C96 H80 N8 O37 S8 -","4","1","","Mercuri, Giorgio; Moroni, Marco; Galli, Simona; Tuci, Giulia; Giambastiani, Giuliano; Yan, Tongan; Liu, Dahuan; Rossin, Andrea","Temperature-Dependent Nitrous Oxide/Carbon Dioxide Preferential Adsorption in a Thiazolium-Functionalized NU-1000 Metal-Organic Framework.","ACS applied materials & interfaces","2021","13","49","58982","58993","10.1021/acsami.1c21437","","","1.54184","CuKα","","0.1089","0.0612","","","0.132","0.1706","","","","","","1.091","","","","has coordinates","271711","2022-01-03","20:19:37",""
"4519216","18.1951","0.0007","18.1951","0.0007","26.7064","0.0016","90","","90","","90","","8841.5","0.7","293","","293","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","Cd-H3TATB","","- C24 H13 Cd1.5 Cl0.5 N3 O6 -","- C24 H12 Cd1.5 Cl0.5 N3 O6 -","- C192 H96 Cd12 Cl4 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.149","0.0724","","","0.1449","0.1802","","","","","","0.929","","","","has coordinates","271712","2022-01-03","20:20:20",""
"4519217","17.976","0.003","17.976","0.003","26.415","0.003","90","","90","","90","","8536","2","120","","120","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","Mn-TATB(Ru(bpy)3","","- C24 H12 Cl0.5 Mn1.5 N3 O6 -","- C24 H12 Cl0.5 Mn1.5 N3 O6 -","- C192 H96 Cl4 Mn12 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.2728","0.0959","","","0.1251","0.189","","","","","","0.817","","","","has coordinates","271713","2022-01-03","20:20:52",""
"4519218","8.8079","0.0002","10.0724","0.0003","15.1907","0.0004","90","","90","","90","","1347.67","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sfjyd","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.0845","0.0771","","","0.2101","0.2223","","","","","","1.053","","","","has coordinates","271714","2022-01-03","20:21:14",""
"4519219","17.958","0.0002","17.958","0.0002","26.0252","0.0005","90","","90","","90","","8392.9","0.2","120","","120","","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","Zn-TATB","","- C26 H18 Cl0.25 N4 O6 Zn1.5 -","- C26 H18 Cl0.25 N4 O6 Zn1.5 -","- C208 H144 Cl2 N32 O48 Zn12 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.066","0.054","","","0.1547","0.1633","","","","","","1.072","","","","has coordinates","271715","2022-01-03","20:21:38",""
"4519220","17.9001","0.0016","17.9001","0.0016","26.387","0.005","90","","90","","90","","8454.8","1.9","120","","120","","","","","","","","","6","P 41 2 2","P 4w 2c","91","","Co-TATB","","- C24 H12 Cl0.25 Co1.5 N3 O6 -","- C24 H12 Cl0.25 Co1.5 N3 O6 -","- C192 H96 Cl2 Co12 N24 O48 -","8","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.1759","0.106","","","0.2465","0.2959","","","","","","0.977","","","","has coordinates","271716","2022-01-03","20:22:05",""
"4519221","8.4176","0.0005","10.9015","0.0006","11.3672","0.0007","110.376","0.005","95.24","0.005","92.506","0.005","970.56","0.1","291.4","0.7","291.4","0.7","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Zhou, Fulin; Shi, Weiming; Liao, Xingrong; Yang, Yudong; Yu, Zhi-Xiang; You, Jingsong","Palladium-Catalyzed [3 + 2] Annulation of Alkynes with Concomitant Aromatic Ring Expansion: A Concise Approach to (Pseudo)azulenes","ACS Catalysis","2021","","","676","686","10.1021/acscatal.1c04549","","x-ray","1.54184","CuKα","","0.0706","0.0627","","","0.1746","0.1885","","","","","","1.018","","","","has coordinates","271717","2022-01-03","20:48:30",""
"4519222","12.3457","0.0003","8.1316","0.0003","21.5494","0.0008","90","","93.192","0.003","90","","2159.99","0.12","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 I N2 O8 -","- C22 H17 I N2 O8 -","- C88 H68 I4 N8 O32 -","4","1","","Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard","Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis","ACS Catalysis","2021","","","809","817","10.1021/acscatal.1c05077","","x-ray","1.54184","CuKα","","0.0522","0.0487","","","0.1322","0.1386","","","","","","1.111","","","","has coordinates","271718","2022-01-03","20:48:55",""
"4519223","11.1669","0.0002","12.9806","0.0002","9.5928","0.0001","90","","103.869","0.001","90","","1349.97","0.04","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F N O -","- C16 H16 F N O -","- C64 H64 F4 N4 O4 -","4","1","","Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard","Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis","ACS Catalysis","2021","","","809","817","10.1021/acscatal.1c05077","","x-ray","1.54184","CuKα","","0.0443","0.0426","","","0.1209","0.1227","","","","","","1.081","","","","has coordinates","271719","2022-01-03","20:49:30",""
"4519224","11.6885","0.0002","9.5916","0.0002","8.4382","0.0002","90","","100.162","0.002","90","","931.18","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Narobe, Rok; Murugesan, Kathiravan; Schmid, Simon; König, Burkhard","Decarboxylative Ritter-Type Amination by Cooperative Iodine (I/III)─Boron Lewis Acid Catalysis","ACS Catalysis","2021","","","809","817","10.1021/acscatal.1c05077","","x-ray","1.54184","CuKα","","0.0333","0.031","","","0.0845","0.0863","","","","","","1.05","","","","has coordinates","271720","2022-01-03","20:49:52",""
"4519225","11.9115","0.0007","5.2479","0.0003","14.9482","0.0008","90","","103.68","0.005","90","","907.91","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Sb2 -","- C24 H16 Sb2 -","- C48 H32 Sb4 -","2","0.5","","Zhang, Dejiang; Tang, Ting; Zhang, Zhao; Le, Liyuan; Xu, Zhi; Lu, Hao; Tong, Zhou; Zeng, Dishu; Wong, Wai-Yeung; Yin, Shuang-Feng; Ghaderi, Arash; Kambe, Nobuaki; Qiu, Renhua","Nickel- and Palladium-Catalyzed Cross-Coupling of Stibines with Organic Halides: Site-Selective Sequential Reactions with Polyhalogenated Arenes","ACS Catalysis","2021","","","854","867","10.1021/acscatal.1c04533","","x-ray","1.54184","CuKα","","0.0485","0.0466","","","0.1199","0.1234","","","","","","1.058","","","","has coordinates","271721","2022-01-03","20:50:28",""
"4519226","12.3866","0.0009","19.4995","0.0014","11.067","0.0008","90","","105.179","0.001","90","","2579.8","0.3","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N Sc Si2 -","- C24 H36 N Sc Si2 -","- C96 H144 N4 Sc4 Si8 -","4","1","","Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei","Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism","ACS Catalysis","2021","","","953","962","10.1021/acscatal.1c04976","","","0.71073","MoKα","","0.0546","0.0428","","","0.1082","0.1165","","","","","","1.036","","","","has coordinates","271722","2022-01-03","20:50:57",""
"4519227","10.3616","0.0009","12.9879","0.0011","13.5432","0.0011","63.2","0.001","87.783","0.001","86.752","0.001","1624","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H45 N S Sc Si2 -","- C30 H45 N S Sc Si2 -","- C60 H90 N2 S2 Sc2 Si4 -","2","1","","Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei","Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism","ACS Catalysis","2021","","","953","962","10.1021/acscatal.1c04976","","","0.71073","MoKα","","0.0486","0.043","","","0.1327","0.142","","","","","","1.03","","","","has coordinates","271723","2022-01-03","20:51:24",""
"4519228","11.9","0.0007","14.2646","0.0009","16.7857","0.001","90","","104.008","0.001","90","","2764.6","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 N Sc Si2 -","- C26 H40 N Sc Si2 -","- C104 H160 N4 Sc4 Si8 -","4","1","","Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei","Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism","ACS Catalysis","2021","","","953","962","10.1021/acscatal.1c04976","","","0.71073","MoKα","","0.0647","0.0486","","","0.135","0.1443","","","","","","1.07","","","","has coordinates","271724","2022-01-03","20:51:48",""
"4519229","8.3799","0.0005","15.5214","0.0011","26.1574","0.0015","90","","90","","90","","3402.2","0.4","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 O P -","- C44 H37 O P -","- C176 H148 O4 P4 -","4","1","","Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide","ACS Catalysis","2021","","","193","199","10.1021/acscatal.1c05080","","","0.71073","MoKα","","0.1471","0.0579","","","0.1005","0.1296","","","","","","1.008","","","","has coordinates","271725","2022-01-03","20:52:18",""
"4519230","12.5608","0.0008","12.5608","0.0008","22.1603","0.0016","90","","90","","120","","3027.9","0.3","273.15","","273.15","","","","","","","","","4","P 32","P 32","145","","","","- C50 H47 O2 P -","- C50 H47 O2 P -","- C150 H141 O6 P3 -","3","1","","Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide","ACS Catalysis","2021","","","193","199","10.1021/acscatal.1c05080","","","0.71073","MoKα","","0.1154","0.0667","","","0.1457","0.1659","","","","","","1.045","","","","has coordinates","271726","2022-01-03","20:52:43",""
"4519231","21.1226","0.0002","21.1226","0.0002","10.9251","0.0001","90","","90","","120","","4221.34","0.07","100","0.1","100","0.1","","","","","","","","3","P 61","P 61","169","","","","- C35 H28 O -","- C35 H28 O -","- C210 H168 O6 -","6","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.074","0.0745","","","","","","1.07","","","","has coordinates","271727","2022-01-03","20:53:14",""
"4519232","8.2675","0.0006","22.137","0.0016","13.9373","0.001","90","","94.199","0.003","90","","2543.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 O -","- C35 H30 O -","- C140 H120 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0603","0.0414","","","0.0942","0.1042","","","","","","1.014","","","","has coordinates","271728","2022-01-03","20:53:43",""
"4519233","11.666","0.004","13.404","0.005","14.893","0.006","90","","90","","90","","2328.8","1.5","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O -","- C31 H30 O -","- C124 H120 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0614","0.0442","","","0.1","0.1083","","","","","","1.052","","","","has coordinates","271729","2022-01-03","20:54:12",""
"4519234","12.466","0.0011","10.8013","0.0009","17.4755","0.0015","90","","103.026","0.003","90","","2292.5","0.3","99","2","99","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 O -","- C31 H28 O -","- C124 H112 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0606","0.0415","","","0.0947","0.1048","","","","","","1.021","","","","has coordinates","271730","2022-01-03","20:54:41",""
"4519235","8.148","0.0005","10.0931","0.0005","14.7699","0.0008","90","","103.183","0.006","90","","1182.65","0.12","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H30 O -","- C32 H30 O -","- C64 H60 O2 -","2","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.032","0.0306","","","0.0808","0.0817","","","","","","1.079","","","","has coordinates","271731","2022-01-03","20:55:07",""
"4519236","12.4891","0.0006","10.8641","0.0004","18.442","0.0008","90","","108.646","0.005","90","","2370.92","0.19","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C62 H56 O2 -","- C62 H56 O2 -","- C124 H112 O4 -","2","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","x-ray","1.54184","CuKα","","0.0675","0.0662","","","0.2052","0.206","","","","","","1.113","","","","has coordinates","271732","2022-01-03","20:55:34",""
"4519237","11.5463","0.0001","9.2472","0.0001","12.8427","0.0001","90","","93.224","0.001","90","","1369.06","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H37 N3 O2 -","- C30 H37 N3 O2 -","- C60 H74 N6 O4 -","2","1","","Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution","ACS Catalysis","2021","","","877","891","10.1021/acscatal.1c04923","","x-ray","1.54184","CuKα","","0.0569","0.05","","","0.1322","0.1339","","","","","","1.284","","","","has coordinates","271733","2022-01-03","20:56:10",""
"4519238","12.1856","0.0004","6.3673","0.0002","21.5285","0.0007","90","","103.252","0.002","90","","1625.9","0.09","149.99","","149.99","","","","","","","","","5","P 1 21 1","P 2yb","4","","4p","","- C14 H17 Br N4 O2 -","- C14 H17 Br N4 O2 -","- C56 H68 Br4 N16 O8 -","4","2","","Xie, Ming-Sheng; Shan, Meng; Li, Ning; Chen, Yang-Guang; Wang, Xiao-Bing; Cheng, Xuan; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Chiral 4-Aryl-pyridine-N-oxide Nucleophilic Catalysts: Design, Synthesis, and Application in Acylative Dynamic Kinetic Resolution","ACS Catalysis","2021","","","877","891","10.1021/acscatal.1c04923","","","1.54178","CuKα","","0.0474","0.0436","","","0.1048","0.1077","","","","","","1.07","","","","has coordinates,has disorder","271734","2022-01-03","20:56:32",""
"4519239","11.2619","0.0006","12.7827","0.0009","13.9681","0.0008","97.941","0.005","98.176","0.004","110.026","0.006","1831.9","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 N4 O4 -","- C46 H40 N4 O4 -","- C92 H80 N8 O8 -","2","1","","Kumar, Prashant; Kumar, Pravesh; Venkataramani, Sugumar; Ramasastry, S. S. V.","Pd-Catalyzed Formal [3 + 3] Heteroannulation of Allylic gem-Diacetates: Synthesis of Chromene-Based Natural Products and Exploration of Photochromic Properties","ACS Catalysis","2021","","","963","970","10.1021/acscatal.1c05450","","x-ray","0.71073","MoKα","","0.1945","0.1148","","","0.2808","0.3399","","","","","","1.5683","","","","has coordinates","271735","2022-01-03","20:57:07",""
"4519240","11.7358","0.0018","10.5737","0.0011","13.773","0.002","90","","114.81","0.018","90","","1551.4","0.4","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Cromin","","- C22 H18 O -","- C22 H18 O -","- C88 H72 O4 -","4","1","","Kumar, Prashant; Kumar, Pravesh; Venkataramani, Sugumar; Ramasastry, S. S. V.","Pd-Catalyzed Formal [3 + 3] Heteroannulation of Allylic gem-Diacetates: Synthesis of Chromene-Based Natural Products and Exploration of Photochromic Properties","ACS Catalysis","2021","","","963","970","10.1021/acscatal.1c05450","","x-ray","0.71073","MoKα","","0.0625","0.0452","","","0.1188","0.1377","","","","","","1.052","","","","has coordinates","271736","2022-01-03","20:57:30",""
"4519241","7.8207","0.0004","8.7434","0.0005","12.0792","0.0007","103.452","0.001","90.191","0.002","108.144","0.001","760.8","0.07","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C38 H30 N2 O6 -","2","2","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0297","0.0296","","","0.0802","0.0804","","","","","","1.07","","","","has coordinates","271737","2022-01-03","20:57:51",""
"4519242","11.8561","0.001","10.1465","0.0008","12.2213","0.0011","90","","91.807","0.009","90","","1469.5","0.2","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","2","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0285","0.0283","","","0.0721","0.0722","","","","","","1.038","","","","has coordinates","271738","2022-01-03","20:58:16",""
"4519243","8.81977","0.00006","11.79139","0.00007","14.962","0.00009","90","","90","","90","","1556.01","0.017","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","x-ray","1.54184","CuKα","","0.0243","0.0241","","","0.0618","0.0619","","","","","","1.054","","","","has coordinates","271739","2022-01-03","20:58:54",""
"4519244","28.6928","0.0009","28.6928","0.0009","5.8824","0.0003","90","","90","","120","","4194","0.3","170","2","170","","","","","","","","","4","P 31","P 31","144","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C216 H171 N9 O18 -","9","3","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","","1.54178","CuKα","","0.0699","0.0559","","","0.1358","0.1553","","","","","","1.106","","","","has coordinates","271740","2022-01-03","20:59:18",""
"4519245","9.2834","0.0006","9.3346","0.0006","15.0022","0.001","91.257","0.002","105.396","0.002","99.442","0.002","1233.47","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Cl2 Co N4 O6 -","- C25 H18 Cl2 Co N4 O6 -","- C50 H36 Cl4 Co2 N8 O12 -","2","1","","Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent","Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation","ACS Catalysis","2021","11","24","15068","15082","10.1021/acscatal.1c04617","","x-ray","0.71073","MoKα","","0.0408","0.0288","","","0.0639","0.0688","","","","","","1.029","","","","has coordinates,has disorder","271741","2022-01-03","20:59:58",""
"4519246","24.944","0.0008","10.3178","0.0004","33.2933","0.001","90","","93.102","0.002","90","","8556","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H57 Cl2 Co4 N24 O24 -","- C81 H57 Cl2 Co4 N24 O24 -","- C324 H228 Cl8 Co16 N96 O96 -","4","1","","Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent","Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation","ACS Catalysis","2021","11","24","15068","15082","10.1021/acscatal.1c04617","","","1.54178","CuKα","","0.1458","0.0797","","","0.1877","0.231","","","","","","1.021","","","","has coordinates,has disorder","271741","2022-01-03","20:59:58",""
"4519247","6.0388","0.0004","7.0061","0.0004","31.925","0.002","90","","95.408","0.002","90","","1344.68","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N S -","- C16 H19 N S -","- C64 H76 N4 S4 -","4","1","","Xu, Xian; Zheng, Xizhou; Xu, Xin","Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes","ACS Catalysis","2021","11","24","14995","15003","10.1021/acscatal.1c04657","","","0.71073","MoKα","","0.058","0.0438","","","0.109","0.1206","","","","","","1.066","","","","has coordinates","271742","2022-01-03","21:00:26",""
"4519248","10.1618","0.0005","13.2018","0.0006","13.798","0.0006","92.736","0.002","93.818","0.002","93.332","0.002","1841.35","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 N2 -","- C48 H50 N2 -","- C96 H100 N4 -","2","1","","Xu, Xian; Zheng, Xizhou; Xu, Xin","Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes","ACS Catalysis","2021","11","24","14995","15003","10.1021/acscatal.1c04657","","","1.34138","GaKα","","0.092","0.0555","","","0.1323","0.1518","","","","","","1.046","","","","has coordinates","271743","2022-01-03","21:00:52",""
"4519249","8.1567","0.0014","10.4245","0.0019","35.595","0.006","90","","90","","90","","3026.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F12 Fe N8 P2 -","- C26 H26 F12 Fe N8 P2 -","- C104 H104 F48 Fe4 N32 P8 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Bis(carbene) Catalyst for Low Overpotential CO2 Electroreduction to CO: Mechanistic Insights from Kinetic Zone Diagrams, Spectroscopy, and Theory","ACS Catalysis","2021","11","24","15212","15222","10.1021/acscatal.1c04414","","","0.71073","MoKα","","0.0828","0.0762","","","0.1746","0.1771","","","","","","1.209","","","","has coordinates,has disorder","271744","2022-01-03","21:01:18",""
"4519250","15.2089","0.0014","6.4415","0.0005","15.8188","0.0013","90","","103.255","0.009","90","","1508.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O5 S -","- C13 H18 N2 O5 S -","- C52 H72 N8 O20 S4 -","4","2","","Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong","Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates","ACS Catalysis","2021","11","24","15141","15148","10.1021/acscatal.1c04849","","x-ray","0.71073","MoKα","","0.0742","0.0572","","","0.108","0.1196","","","","","","1.019","","","","has coordinates","271745","2022-01-03","21:01:54",""
"4519251","11.2477","0.0007","11.2911","0.0007","11.5245","0.0007","85.163","0.004","69.406","0.003","65.577","0.003","1244.26","0.14","233","2","233","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","2","","Hirose, Jumpei; Wakikawa, Takumi; Satake, Shun; Kojima, Masahiro; Hatano, Manabu; Ishihara, Kazuaki; Yoshino, Tatsuhiko; Matsunaga, Shigeki","Cp*RhIII/Chiral Disulfonate/CuOAc Catalyst System for the Enantioselective Intramolecular Oxyamination of Alkenes","ACS Catalysis","2021","11","24","15187","15193","10.1021/acscatal.1c04699","","","1.5418","CuKα","","0.0396","0.0377","","","0.1048","0.1062","","","","","","1.062","","","","has coordinates","271746","2022-01-03","21:02:16",""
"4519252","10.344","0.0009","10.419","0.0011","10.58","0.0011","92.229","0.007","102.919","0.006","103.078","0.006","1077.74","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 F6 N2 O6 -","- C20 H14 F6 N2 O6 -","- C40 H28 F12 N4 O12 -","2","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.54178","CuKα","","0.0798","0.0661","","","0.2027","0.2128","","","","","","1.019","","","","has coordinates,has disorder","271747","2022-01-03","21:44:24",""
"4519253","13.2786","0.0015","3.7845","0.0005","14.135","0.0017","90","","104.613","0.007","90","","687.35","0.15","298.15","","298.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N3 O4 -","- C15 H15 N3 O4 -","- C30 H30 N6 O8 -","2","0.5","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","","1.54178","CuKα","","0.0735","0.0654","","","0.1851","0.1995","","","","","","1.093","","","","has coordinates,has disorder","271748","2022-01-03","21:44:46",""
"4519254","8.5863","0.0003","11.2015","0.0004","20.1697","0.0007","90","","99.146","0.002","90","","1915.25","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F6 N4 O6 -","- C18 H12 F6 N4 O6 -","- C72 H48 F24 N16 O24 -","4","1","","Mohan, Midhun; Essalhi, Mohamed; Zaye, Sarah; Rana, Love Karan; Maris, Thierry; Duong, Adam","Hydrogen Bond Patterns of Dipyridone and Bis(Hydroxypyridinium) Cations","ACS Omega","2021","6","51","35649","35656","10.1021/acsomega.1c05561","","x-ray","1.34139","GaKα","","0.0885","0.0664","","","0.1721","0.1901","","","","","","1.076","","","","has coordinates,has disorder","271749","2022-01-03","21:45:08",""
"4519255","23.34","0.02","9.228","0.006","16.238","0.011","90","","92.475","0.019","90","","3494","4","150","2","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 O2 -","- C48 H44 O2 -","- C192 H176 O8 -","4","1","","Liu, Jiupeng; Tang, Shuo; Zhao, Mengyao; Huai, Jianing; Yu, Jingya; Zhao, Jingjing; Li, Pan","Reactivity of Vinyl Epoxides/Oxetanes/Cyclopropanes toward Arynes: Access to Functionalized Phenanthrenes","ACS Omega","2021","6","51","35852","35865","10.1021/acsomega.1c06166","","","0.71073","MoKα","","0.0935","0.0779","","","0.203","0.2132","","","","","","1.098","","","","has coordinates","271750","2022-01-03","21:45:33",""
"4519256","27.6855","0.0008","9.629","0.0003","9.1455","0.0003","90","","92.959","0.001","90","","2434.79","0.13","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","CPC-Sn","","- C10.5 H19 Cl1.5 N0.5 Sn0.5 -","- C10.5 H19 Cl1.5 N0.5 Sn0.5 -","- C84 H152 Cl12 N4 Sn4 -","8","2","","Teoman, Baran; Muneeswaran, Zilma Pereira; Verma, Gaurav; Chen, Dailin; Brinzari, Tatiana V.; Almeda-Ahmadi, Allison; Norambuena, Javiera; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Armenante, Piero M.; Potanin, Andrei; Pan, Long; Asefa, Tewodros; Dubovoy, Viktor","Cetylpyridinium Trichlorostannate: Synthesis, Antimicrobial Properties, and Controlled-Release Properties via Electrical Resistance Tomography","ACS Omega","2021","6","51","35433","35441","10.1021/acsomega.1c04034","","x-ray","1.54178","CuKα","","0.0321","0.0287","","","0.0637","0.0658","","","","","","1.085","","","","has coordinates","271751","2022-01-03","21:45:58",""
"4519257","17.1405","0.0019","19.507","0.002","23.73","0.003","103.028","0.003","100.372","0.003","113.516","0.003","6756.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C20 H30 Ir2 Na3.5 O89 Sb2 W20 -","- C40 H60 Ir4 Na7 O178 Sb4 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1295","0.0752","","","0.2071","0.266","","","","","","1.066","","","","has coordinates","271752","2022-01-03","21:46:25",""
"4519258","17.1496","0.0017","19.521","0.002","23.72","0.003","103.05","0.003","99.932","0.003","113.932","0.003","6752.6","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C20 H30 Bi2 Ir2 Na5 O87 W20 -","- C40 H60 Bi4 Ir4 Na10 O174 W40 -","2","1","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.1089","0.0615","","","0.1559","0.1879","","","","","","1.034","","","","has coordinates","271753","2022-01-03","21:46:57",""
"4519259","13.6825","0.0007","13.7623","0.0007","18.3248","0.001","72.603","0.002","83.896","0.002","89.231","0.002","3273.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","- C20 H30 K2 Na3 O96 Rh2 Sb2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0498","0.0377","","","0.1042","0.11","","","","","","1.048","","","","has coordinates","271754","2022-01-03","21:47:17",""
"4519260","13.6643","0.0011","13.761","0.0011","18.2754","0.0014","72.177","0.002","84.281","0.002","88.693","0.002","3255.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","- C20 H30 Bi2 K Na4 O94 Rh2 W20 -","1","0.5","","Mougharbel, Ali S.; Ahmedi, Sihana; Bhattacharya, Saurav; Rajan, Ananthu; Kortz, Ulrich","Organorhodium(III)- and Iridium(III)-Substituted 20-Tungstobismuthates(III) and -Antimonates(III), [(MCp*)<sub>2</sub>X<sub>2</sub>W<sub>20</sub>O<sub>70</sub>]<sup>10-</sup> (M = Rh<sup>III</sup> and Ir<sup>III</sup>; X = Bi<sup>III</sup> and Sb<sup>III</sup>).","ACS omega","2021","6","50","34494","34500","10.1021/acsomega.1c04707","","","0.71073","MoKα","","0.0533","0.0375","","","0.0986","0.1061","","","","","","1.026","","","","has coordinates","271755","2022-01-03","21:47:33",""
"4519261","8.9703","0.0002","10.4841","0.0003","11.6663","0.0002","107.199","0.001","95.614","0.001","103.637","0.001","1001.83","0.04","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H44 N2 -","- C56 H44 N2 -","- C56 H44 N2 -","1","0.5","","Ball, Melissa L.; Burlingame, Quinn; Smith, Hannah L.; Liu, Tianran; Parkin, Sean R.; Kahn, Antoine; Loo, Yueh-Lin","Design of UV-Absorbing Donor Molecules for Nearly Imperceptible Organic Solar Cells","ACS Energy Letters","2021","","","180","188","10.1021/acsenergylett.1c02244","","","0.71073","MoKα","","0.0406","0.0334","","","0.0861","0.0898","","","","","","1.067","","","","has coordinates","271756","2022-01-03","21:57:02",""
"4519262","12.3886","0.0005","13.0511","0.0006","12.9348","0.0006","90","","117.252","0.001","90","","1859.22","0.14","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H42 N2 -","- C52 H42 N2 -","- C104 H84 N4 -","2","0.5","","Ball, Melissa L.; Burlingame, Quinn; Smith, Hannah L.; Liu, Tianran; Parkin, Sean R.; Kahn, Antoine; Loo, Yueh-Lin","Design of UV-Absorbing Donor Molecules for Nearly Imperceptible Organic Solar Cells","ACS Energy Letters","2021","","","180","188","10.1021/acsenergylett.1c02244","","","0.71073","MoKα","","0.0614","0.0527","","","0.1259","0.1314","","","","","","1.072","","","","has coordinates,has disorder","271757","2022-01-03","21:57:23",""
"4519263","7.32853","0.00013","18.8735","0.0003","8.53709","0.00014","90","","95.8653","0.0016","90","","1174.63","0.03","100","0.1","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H14 F N5 S3 -","- C28 H14 F N5 S3 -","- C56 H28 F2 N10 S6 -","2","1","","Yu, Ying; Xing, Hao; Park, Hojeong; Zhang, Ruoyao; Peng, Chen; Sung, Herman H.-Y.; Williams, Ian D.; Ma, Chao; Wong, Kam Sing; Li, Shijie; Xiong, Qingping; Li, Min-Hui; Zhao, Zheng; Tang, Ben Zhong","Deep-Red Aggregation-Induced Emission Luminogen Based on Dithiofuvalene-Fused Benzothiadiazole for Lipid Droplet-Specific Imaging","ACS Materials Letters","2021","4","1","159","164","10.1021/acsmaterialslett.1c00570","","","1.54184","CuKα","","0.0207","0.0204","","","0.051","0.0512","","","","","","1.052","","","","has coordinates","271758","2022-01-03","22:06:03",""
"4519264","7.3216","0.0005","10.4441","0.0006","14.9898","0.0009","79.644","0.005","75.956","0.005","77.935","0.005","1077.3","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H5 Cl N6 S5 -","- C20 H5 Cl N6 S5 -","- C40 H10 Cl2 N12 S10 -","2","1","","Yu, Ying; Xing, Hao; Park, Hojeong; Zhang, Ruoyao; Peng, Chen; Sung, Herman H.-Y.; Williams, Ian D.; Ma, Chao; Wong, Kam Sing; Li, Shijie; Xiong, Qingping; Li, Min-Hui; Zhao, Zheng; Tang, Ben Zhong","Deep-Red Aggregation-Induced Emission Luminogen Based on Dithiofuvalene-Fused Benzothiadiazole for Lipid Droplet-Specific Imaging","ACS Materials Letters","2021","4","1","159","164","10.1021/acsmaterialslett.1c00570","","x-ray","1.54184","CuKα","","0.0233","0.0225","","","0.06","0.0606","","","","","","1.037","","","","has coordinates","271759","2022-01-03","22:06:25",""
"4519265","10.1487","0.0004","16.004","0.0006","16.6748","0.0007","78.442","0.003","87.882","0.003","72.798","0.004","2533.99","0.18","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl4 N2 O10 S4 -","- C42 H34 Cl4 N2 O10 S4 -","- C84 H68 Cl8 N4 O20 S8 -","2","1","","Kirlikovali, Kent O.; Goswami, Subhadip; Mian, Mohammad Rasel; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Hupp, Joseph T.; Li, Peng; Farha, Omar K.","An Electrically Conductive Tetrathiafulvalene-Based Hydrogen-Bonded Organic Framework","ACS Materials Letters","2021","4","1","128","135","10.1021/acsmaterialslett.1c00628","","","1.54184","CuKα","","0.1828","0.1721","","","0.4645","0.4711","","","","","","2.168","","","","has coordinates","271760","2022-01-03","22:06:49",""
"4519266","8.5009","0.0001","21.4939","0.0003","25.0055","0.0003","65.639","0.001","83.81","0.001","82.195","0.001","4116.79","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H20 O8 S4 -","- C50 H20 O8 S4 -","- C100 H40 O16 S8 -","2","1","","Kirlikovali, Kent O.; Goswami, Subhadip; Mian, Mohammad Rasel; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Hupp, Joseph T.; Li, Peng; Farha, Omar K.","An Electrically Conductive Tetrathiafulvalene-Based Hydrogen-Bonded Organic Framework","ACS Materials Letters","2021","4","1","128","135","10.1021/acsmaterialslett.1c00628","","","1.54184","CuKα","","0.1126","0.1013","","","0.3121","0.3287","","","","","","1.381","","","","has coordinates","271761","2022-01-03","22:07:14",""
"4519267","31.3976","0.0009","6.9692","0.0002","19.2078","0.0005","90","","125.086","0.002","90","","3439.25","0.19","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C176 H120 Cl8 N16 O8 -","8","1","","Cai, Chen; Lu, Yi; Yuan, Chengcheng; Fang, Zheng; Yang, Xiaobing; Liu, Chengkou; Guo, Kai","Organocatalytic Electrosynthesis of Cinnolines through Cascade Radical Cyclization and Migration","ACS Sustainable Chemistry & Engineering","2021","9","50","16989","16996","10.1021/acssuschemeng.1c05810","","","1.54178","CuKα","","0.0655","0.0543","","","0.1459","0.1602","","","","","","1.007","","","","has coordinates","271762","2022-01-03","22:40:18",""
"4519268","11.1841","0.0005","11.7671","0.0004","12.2739","0.0006","90","","105.7","0.005","90","","1555.04","0.12","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 N2 O -","- C19 H20 F2 N2 O -","- C76 H80 F8 N8 O4 -","4","1","","Niu, Kaikai; Zhou, Pan; Ding, Ling; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin","Photoelectrochemical Decarboxylative C–H Alkylation of Quinoxalin-2(1H)-ones","ACS Sustainable Chemistry & Engineering","2021","9","49","16820","16828","10.1021/acssuschemeng.1c06702","","x-ray","0.71073","MoKα","","0.082","0.0533","","","0.1263","0.1501","","","","","","1.04","","","","has coordinates","271764","2022-01-03","22:40:42",""
"4519269","11.1747","0.0004","7.5361","0.0003","17.8459","0.0007","90","","106.761","0.002","90","","1439.02","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H53 N O3 -","- C30.006 H53.014 N1.001 O3 -","- C60.012 H106.028 N2.002 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.54178","CuKα","","0.0457","0.0445","","","0.1228","0.125","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","272073","2022-01-16","15:32:23",""
"4519270","9.6884","0.0003","7.6904","0.0002","18.3154","0.0006","90","","100.544","0.002","90","","1341.6","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H51 N O3 -","- C28 H51 N O3 -","- C56 H102 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.0424","0.041","","","0.1109","0.1123","","","","","","1.084","","","","has coordinates,has Fobs","272074","2022-01-16","15:32:37",""
"4519271","11.0046","0.0003","7.5468","0.0002","17.3286","0.0005","90","","107.764","0.001","90","","1370.52","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H53 N O3 -","- C29 H53 N O3 -","- C58 H106 N2 O6 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.54178","CuKα","","0.0451","0.0437","","","0.119","0.1209","","","","","","1.039","","","","has coordinates,has Fobs","272075","2022-01-16","15:32:51",""
"4519272","7.4151","0.0004","10.4713","0.0005","32.5598","0.0016","90","","90","","90","","2528.1","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C108 H196 N4 O12 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.0509","0.0449","","","0.1192","0.1233","","","","","","1.083","","","","has coordinates,has Fobs","272076","2022-01-16","15:33:07",""
"4519273","12.2848","0.0002","7.0415","0.0001","15.9198","0.0003","90","","109.277","0.001","90","","1299.91","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N O4 -","- C27 H51 N O4 -","- C54 H102 N2 O8 -","2","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.028","0.0277","","","0.076","0.0763","","","","","","1.017","","","","has coordinates,has Fobs","272077","2022-01-16","15:33:20",""
"7059562","11.3947","0.0001","19.7346","0.0001","31.3137","0.0001","90","","92.186","0.001","90","","7036.38","0.07","123.05","0.1","123.05","0.1","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C56 H30 Ag Al B Cl6 F46 N2 O3 P -","- C56 H30 Ag Al B Cl6 F46 N2 O3 P -","- C224 H120 Ag4 Al4 B4 Cl24 F184 N8 O12 P4 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","","1.54178","CuKα","","0.036","0.0334","","","0.0897","0.0912","","","","","","1.04","","","","has coordinates","268879","2021-09-06","12:07:13",""
"7059563","11.3066","0.0002","17.6908","0.0003","21.6344","0.0003","66.0358","0.0015","88.8395","0.0014","73.5586","0.0017","3770.45","0.12","123.01","0.1","123.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C66 H42 Ag Al B2 F46 N2 O3 P2 -","- C66 H42 Ag Al B2 F46 N2 O3 P2 -","- C132 H84 Ag2 Al2 B4 F92 N4 O6 P4 -","2","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","x-ray","1.54184","CuKα","","0.0317","0.0289","","","0.0697","0.0724","","","","","","1.055","","","","has coordinates,has disorder","268879","2021-09-06","12:07:13",""
"7059564","11.41518","0.00014","19.8618","0.0003","42.3218","0.0005","90","","90.4893","0.0011","90","","9595.1","0.2","123","1","123","1","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C82 H65 Ag Al B3 Cl2 F46 N3 O3 P3 -","- C81 H63 Ag Al B3 F46 N3 O3 P3 -","- C324 H252 Ag4 Al4 B12 F184 N12 O12 P12 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","x-ray","0.71073","MoKα","","0.0493","0.0346","","","0.086","0.0888","","","","","","0.977","","","","has coordinates","268879","2021-09-06","12:07:13",""
"7059565","11.1197","0.0002","12.5198","0.0002","12.704","0.0002","90","","90","","90","","1768.61","0.05","123.05","0.1","123.05","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Ag B2 F4 N P -","- C15 H21 Ag B2 F4 N P -","- C60 H84 Ag4 B8 F16 N4 P4 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","","1.54178","CuKα","","0.0371","0.0352","","","0.0895","0.0906","","","","","","1.0323","","","","has coordinates,has disorder","268879","2021-09-06","12:07:13",""
"7059625","7.2341","0.0003","18.7113","0.0008","10.2532","0.0005","90","","93.5997","0.0013","90","","1385.13","0.11","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 B10 N -","- C9 H15 B10 N -","- C36 H60 B40 N4 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-promoted copper-catalyzed cage C-arylation of o-carboranes: facile synthesis of 1-aryl-o-carboranes and o-carborane-fused cyclics","New Journal of Chemistry","2021","45","33","14944","14948","10.1039/D0NJ02029J","","","0.71073","MoKα","","0.0658","0.0496","","","0.1287","0.1422","","","","","","1.042","","","","has coordinates","268876","2021-09-06","12:06:02",""
"7059845","8.0148","0.0008","9.2899","0.0008","12.1811","0.0012","85.739","0.006","88.707","0.006","70.069","0.005","850.28","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 Cl I N2 O2 Pt -","- C15 H18 Cl I N2 O2 Pt -","- C30 H36 Cl2 I2 N4 O4 Pt2 -","2","1","","Robinson, Shawn; Puddephatt, Richard J.","Reactions of organoplatinum complexes with dimethylamine-borane","New Journal of Chemistry","2021","45","33","14965","14972","10.1039/D0NJ03168B","","","0.71073","MoKα","","0.0683","0.0533","","","0.1408","0.1489","","","","","","1.067","","","","has coordinates","268870","2021-09-06","12:03:49",""
"7059863","12.4025","0.0014","14.8764","0.0019","20.461","0.002","93.49","0.009","96.621","0.011","93.591","0.009","3733.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 B Cu N2 O2 -","- C39 H54 B Cu N2 O2 -","- C156 H216 B4 Cu4 N8 O8 -","4","2","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","","1.54184","CuKα","","0.1097","0.0605","","","0.1415","0.1582","","","","","","0.912","","","","has coordinates,has disorder","268874","2021-09-06","12:05:45",""
"7059864","10.6114","0.0002","15.0816","0.0004","22.6645","0.0005","90","","93.438","0.002","90","","3620.63","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H54 B Cu N2 O3 -","- C32 H46 B Cu N2 O2 -","- C128 H184 B4 Cu4 N8 O8 -","4","1","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0606","0.0543","","","0.1527","0.1598","","","","","","1.051","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059865","18.5018","0.0011","18.5259","0.0012","19.1587","0.0012","72.233","0.006","61.343","0.006","82.045","0.006","5487.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C162 H216 Cu55 N12 -","- C162 H216 Cu55 N12 -","- C162 H216 Cu55 N12 -","1","0.5","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0847","0.0619","","","0.1796","0.2022","","","","","","1.061","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059866","10.8381","0.0001","25.8186","0.0002","41.5657","0.0003","90","","90","","90","","11631.1","0.16","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C74 H66 B Cu N2 O2 -","- C74 H66 B Cu N2 O2 -","- C592 H528 B8 Cu8 N16 O16 -","8","1","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0458","0.0423","","","0.1117","0.1151","","","","","","1.03","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059867","16.1031","0.0003","18.2156","0.0003","20.4319","0.0004","90","","97.627","0.002","90","","5940.22","0.19","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H92 B Cu N4 O4 -","- C64 H92 B Cu N4 O4 -","- C256 H368 B4 Cu4 N16 O16 -","4","0.5","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.042","0.039","","","0.0965","0.0984","","","","","","1.039","","","","has coordinates","268874","2021-09-06","12:05:46",""
"7059868","24.7078","0.0003","34.1167","0.0006","26.0758","0.0003","90","","93.763","0.001","90","","21933.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C324 H432 Cu179.02 N24 -","- C324 H432 Cu179.022 N24 -","- C648 H864 Cu358.044 N48 -","2","0.5","","Drescher, Wiebke; Borner, Corinna; Kleeberg, Christian","Stability and decomposition of copper(i) boryl complexes: [(IDipp)Cu‒Bneop], [(IDipp*)Cu‒Bneop] and copper clusters","New Journal of Chemistry","2021","45","33","14957","14964","10.1039/D0NJ03166F","","x-ray","1.54184","CuKα","","0.0735","0.052","","","0.1447","0.159","","","","","","1.046","","","","has coordinates,has disorder","268874","2021-09-06","12:05:46",""
"7059874","12.8214","0.0001","22.3082","0.0001","14.6199","0.0001","90","","113.563","0.001","90","","3832.96","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H43 N O2 P2 Ru -","- C44 H43 N O2 P2 Ru -","- C176 H172 N4 O8 P8 Ru4 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.039","0.0323","","","0.0829","0.089","","","","","","1","","","","has coordinates","268868","2021-09-06","12:03:17",""
"7059875","10.756","0.0001","16.9328","0.0002","20.8157","0.0002","90","","93.991","0.001","90","","3781.95","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H44 P2 Ru -","- C47 H44 P2 Ru -","- C188 H176 P8 Ru4 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","0.71073","MoKα","","0.0479","0.0356","","","0.0836","0.0919","","","","","","1","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059876","39.5527","0.0015","9.5048","0.0004","33.7838","0.0016","90","","100.68","0.004","90","","12480.7","0.9","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C39 H34 Fe P2 -","- C39 H34 Fe P2 -","- C624 H544 Fe16 P32 -","16","4","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.1405","0.0647","","","0.1146","0.1508","","","","","","0.959","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059877","9.907","0.0002","12.3781","0.0003","25.5901","0.0007","91.779","0.002","91.683","0.002","101.312","0.002","3073.65","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 Fe P2 -","- C37 H38 Fe P2 -","- C148 H152 Fe4 P8 -","4","2","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","0.71073","MoKα","","0.1052","0.0565","","","0.1089","0.1291","","","","","","1","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059878","9.3194","0.0002","17.5662","0.0004","39.2393","0.0013","90","","90","","90","","6423.7","0.3","101.6","0.4","101.6","0.4","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 O P2 Ru -","- C40 H36 O P2 Ru -","- C320 H288 O8 P16 Ru8 -","8","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","1.54184","CuKα","","0.0872","0.0447","","","0.0775","0.0914","","","","","","1.059","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059879","9.4107","0.0001","17.3043","0.0003","39.0246","0.0006","90","","90","","90","","6354.98","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Fe O P2 -","- C40 H36 Fe O P2 -","- C320 H288 Fe8 O8 P16 -","8","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.0809","0.0551","","","0.1276","0.1436","","","","","","1.002","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059880","8.3802","0.0001","22.2533","0.0003","19.4016","0.0003","90","","90.318","0.001","90","","3618.09","0.09","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C42 H48 Fe P2 -","- C42 H48 Fe P2 -","- C168 H192 Fe4 P8 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","","1.54178","CuKα","","0.0532","0.045","","","0.1033","0.1103","","","","","","1.001","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059881","8.7348","0.0002","19.3206","0.0004","10.6426","0.0002","90","","96.473","0.002","90","","1784.61","0.06","99","3","99","3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H48 P2 Ru -","- C42 H48 P2 Ru -","- C84 H96 P4 Ru2 -","2","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","0.71073","MoKα","","0.0504","0.0371","","","0.0599","0.0655","","","","","","1.084","","","","has coordinates","268868","2021-09-06","12:03:18",""
"7059882","8.668","0.0001","18.522","0.0002","20.3518","0.0002","90","","98.041","0.001","90","","3235.33","0.06","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 P2 Ru -","- C37 H38 P2 Ru -","- C148 H152 P8 Ru4 -","4","1","","Harrison, Daniel P.; Kumar, Varshini J.; Noppers, Johanna N.; Gluyas, Josef B. G.; Sobolev, Alexandre N.; Moggach, Stephen A.; Low, Paul J.","Iron vs. ruthenium: syntheses, structures and IR spectroelectrochemical characterisation of half-sandwich Group 8 acetylide complexes","New Journal of Chemistry","2021","45","33","14932","14943","10.1039/D0NJ03093G","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.1029","0.1062","","","","","","1.091","","","","has coordinates,has disorder","268868","2021-09-06","12:03:18",""
"7059998","16.0812","0.0014","9.6707","0.0008","17.1517","0.0015","90","","117.418","0.002","90","","2367.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.72 H65.3 B2 O2.93 S2 -","- C49.72 H65.3 B2 O2.93 S2 -","- C99.44 H130.6 B4 O5.86 S4 -","2","0.5","","Riensch, Nicolas Alexander; Fest, Maximilian; Fritze, Lars; Helbig, Andreas; Krummenacher, Ivo; Braunschweig, Holger; Helten, Holger","Bifuran-bridged bisboranes: highly luminescent B-doped oligohetarenes","New Journal of Chemistry","2021","45","33","14920","14924","10.1039/D0NJ04297H","","","0.71073","MoKα","","0.0761","0.059","","","0.1491","0.1596","","","","","","1.051","","","","has coordinates,has disorder","268871","2021-09-06","12:03:56",""
"7060085","7.1787","0.0005","10.2822","0.0006","16.1772","0.001","96.057","0.003","101.245","0.003","106.314","0.003","1107.59","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Li N2 O3 -","- C25 H27 Li N2 O3 -","- C50 H54 Li2 N4 O6 -","2","1","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71073","MoKα","","0.118","0.0621","","","0.1446","0.1841","","","","","","1.036","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060086","18.108","0.003","7.1063","0.0012","19.003","0.003","90","","109.543","0.005","90","","2304.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cs F N2 O2 -","- C27 H20 Cs F N2 O2 -","- C108 H80 Cs4 F4 N8 O8 -","4","1","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71073","MoKα","","0.0596","0.0412","","","0.0959","0.1078","","","","","","1.004","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060087","10.3951","0.001","10.6836","0.0012","17.2357","0.0019","72.414","0.005","77.519","0.005","88.313","0.005","1780.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H43 K N2 O4 -","- C38 H43 K N2 O4 -","- C76 H86 K2 N4 O8 -","2","1","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71073","MoKα","","0.138","0.0929","","","0.2284","0.2931","","","","","","1.099","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060088","19.4525","0.0011","6.6516","0.0003","35.989","0.002","90","","98.923","0.003","90","","4600.3","0.4","296","2","296","2","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C54 H46 F2 Li2 N4 O7 -","- C54 H46 F2 Li2 N4 O7 -","- C216 H184 F8 Li8 N16 O28 -","4","0.5","","Shah, Syed Raza; Shah, Zarbad; Khan, Ajmal; Ahmed, Ayaz; Khwaja, Shariqa; Csuk, Rene; Anwar, Muhammad U.; Al-Harrasi, Ahmed","Alkali complexes of non-steroidal anti-inflammatory drugs inhibit lung and oral cancers in vitro","New Journal of Chemistry","2021","45","1","45","52","10.1039/D0NJ04585C","","","0.71076","MoKα","","0.0694","0.05","","","0.1323","0.1512","","","","","","1.037","","","","has coordinates,has disorder","261724","2021-02-04","23:25:00",""
"7060089","7.5686","0.0004","21.7486","0.0011","8.2075","0.0004","90","","105.783","0.002","90","","1300.07","0.11","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C48 H48 N8 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0333","0.027","","","0.0637","0.066","","","","","","1.067","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060090","7.1221","0.0004","28.6165","0.0013","8.66","0.0005","90","","105.763","0.002","90","","1698.62","0.16","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H16 N3 Se2 -","- C17 H16 N3 Se2 -","- C68 H64 N12 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0575","0.0367","","","0.067","0.0717","","","","","","1.085","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060091","8.5502","0.0006","7.009","0.0004","22.6261","0.0015","90","","90.121","0.003","90","","1355.94","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C48 H48 N8 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0995","0.0495","","","0.0999","0.1128","","","","","","1.076","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060092","9.0534","0.0005","13.1176","0.0006","16.4261","0.0007","90","","112.672","0.002","90","","1800","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl0.5 N2.5 Se2 -","- C16 H22 Cl0.5 N2.5 Se2 -","- C64 H88 Cl2 N10 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.1583","0.0624","","","0.1348","0.1591","","","","","","1.027","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060093","8.2203","0.0008","14.6643","0.0016","9.438","0.0009","90","","110.312","0.003","90","","1066.96","0.19","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br2 -","- C10 H12 Br2 -","- C40 H48 Br8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0333","0.022","","","0.0484","0.0513","","","","","","1.052","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060094","9.2775","0.0011","13.5469","0.0016","14.3091","0.0015","82.498","0.004","88.218","0.004","83.497","0.004","1771.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Cl N2 O0.5 P Se2 -","- C38 H37 Cl N2 O0.5 P Se2 -","- C76 H74 Cl2 N4 O P2 Se4 -","2","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0819","0.0434","","","0.0958","0.1222","","","","","","1.142","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060095","9.3752","0.0005","13.5967","0.0006","14.35","0.0007","82.051","0.002","87.549","0.002","83.173","0.002","1798.15","0.15","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H37 Br N2 O0.5 P Se2 -","- C38 H37 Br N2 O0.5 P Se2 -","- C76 H74 Br2 N4 O P2 Se4 -","2","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0785","0.0371","","","0.0732","0.091","","","","","","1.059","","","","has coordinates,has disorder","261720","2021-02-04","23:24:36",""
"7060096","9.2747","0.0002","10.6749","0.0002","34.3002","0.0006","90","","90","","90","","3395.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 I N2 P Se2 -","- C36 H32 I N2 P Se2 -","- C144 H128 I4 N8 P4 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0437","0.0327","","","0.0671","0.07","","","","","","1.02","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060097","13.6133","0.0004","4.83877","0.0001","20.4591","0.0005","90","","98.22","0.003","90","","1333.83","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N12 O7 -","- C6 H8 N12 O7 -","- C24 H32 N48 O28 -","4","1","","Tang, Yongxing; An, Ziwei; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Very thermostable energetic materials based on a fused-triazole: 3,6-diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","New Journal of Chemistry","2021","45","1","85","91","10.1039/D0NJ05152G","","x-ray","1.54184","CuKα","","0.0748","0.0435","","","0.1012","0.1345","","","","","","1.129","","","","has coordinates,has disorder","261722","2021-02-04","23:24:46",""
"7060098","10.5503","0.0004","3.56337","0.00011","14.313","0.0005","90","","103.468","0.004","90","","523.29","0.03","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 N7 -","- C3 H5 N7 -","- C12 H20 N28 -","4","1","","Tang, Yongxing; An, Ziwei; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Very thermostable energetic materials based on a fused-triazole: 3,6-diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","New Journal of Chemistry","2021","45","1","85","91","10.1039/D0NJ05152G","","x-ray","1.54184","CuKα","","0.0348","0.0334","","","0.0863","0.0876","","","","","","1.092","","","","has coordinates","261722","2021-02-04","23:24:46",""
"7060102","15.8581","0.0013","4.2689","0.0003","22.023","0.0018","90","","94.541","0.003","90","","1486.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenyl phenylethenyl oxadiazol oxadiazole","(E)-3-phenyl-5-[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]-1,2,4-oxadiazole","","- C18 H12 N4 O2 -","- C18 H12 N4 O2 -","- C72 H48 N16 O8 -","4","1","","Mayer, João C. P.; Acunha, Thiago V.; Rodrigues, Oscar E. D.; Back, Davi F.; Chaves, Otávio A.; Dornelles, Luciano; Iglesias, Bernardo A.","Synthesis, spectroscopic characterization and DNA/HSA binding studies of (phenyl/naphthyl)ethenyl-substituted 1,3,4-oxadiazolyl-1,2,4-oxadiazoles","New Journal of Chemistry","2021","45","1","471","484","10.1039/D0NJ04530F","","","0.71073","MoKα","","0.1129","0.0572","","","0.1129","0.1344","","","","","","1.015","","","","has coordinates","261721","2021-02-04","23:24:40",""
"7060122","8.9317","0.0011","10.6571","0.0014","21.888","0.003","92.819","0.002","101.376","0.002","112.551","0.002","1868.3","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Mn2 N2 O32 -","- C76 H60 Mn2 N2 O32 -","- C76 H60 Mn2 N2 O32 -","1","0.5","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","","0.71073","MoKα","","0.0723","0.0478","","","0.122","0.1406","","","","","","1.074","","","","has coordinates","261744","2021-02-04","23:28:24",""
"7060123","10.0573","0.0005","9.4584","0.0005","21.6947","0.0011","90","","94.791","0.004","90","","2056.52","0.18","180.01","0.1","180.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C48 H30 Mn2 N4 O10 -","- C48 H30 Mn2 N4 O10 -","- C96 H60 Mn4 N8 O20 -","2","0.5","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","x-ray","1.54184","CuKα","","0.0541","0.0445","","","0.1053","0.1121","","","","","","1.066","","","","has coordinates","261744","2021-02-04","23:28:24",""
"7060124","9.5701","0.0002","21.0055","0.0005","15.5936","0.0004","90","","91.286","0.002","90","","3133.91","0.13","293.2","0.8","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H53.16 Br0.84 Co2 N10 O10 -","- C75 H53.16 Br0.84 Co2 N10 O10 -","- C150 H106.32 Br1.68 Co4 N20 O20 -","2","0.5","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","","1.54184","CuKα","","0.0632","0.0519","","","0.1259","0.1327","","","","","","1.063","","","","has coordinates,has disorder","261744","2021-02-04","23:28:24",""
"7060125","7.7545","0.0007","17.5971","0.0016","17.4176","0.0015","90","","94.01","0.002","90","","2370.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Co N5 O8 -","- C23 H22 Co N5 O8 -","- C92 H88 Co4 N20 O32 -","4","1","","Lu, Lu; Wang, Jun; Shi, Chuncheng; Sun, Yanchun; Wu, Weiping; Pan, Ying; Muddassir, Mohd.","Four structural diversity MOF-photocatalysts readily prepared for the degradation of the methyl violet dye under UV-visible light","New Journal of Chemistry","2021","45","2","551","560","10.1039/D0NJ04478D","","","0.71073","MoKα","","0.0668","0.0428","","","0.085","0.0926","","","","","","1.042","","","","has coordinates","261744","2021-02-04","23:28:24",""
"7060136","6.82","0.002","6.612","0.003","14.279","0.006","90","","91.88","0.04","90","","643.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N6 O5 -","- C11 H14 N6 O5 -","- C22 H28 N12 O10 -","2","1","","Rungta, Pallavi; Kumar, Manish; Mangla, Priyanka; Kumar, Sandeep; Prasad, Ashok K.","Chemo-enzymatic access to C-4′-hydroxyl-tetrahydrofurano-spironucleosides","New Journal of Chemistry","2021","45","3","1609","1616","10.1039/D0NJ03253K","","","0.71073","MoKα","","0.1788","0.0822","","","0.154","0.2046","","","","","","0.983","","","","has coordinates","261745","2021-02-04","23:28:29",""
"7060137","19.902","0.005","9.306","0.002","25.052","0.005","90","","110.827","0.007","90","","4336.7","1.7","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N6 O2 S2 Zn -","- C50 H36 N6 O2 S2 Zn -","- C200 H144 N24 O8 S8 Zn4 -","4","1","","Kumar, Yogesh; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Singh, Nikhil Kumar; Pandey, Daya Shankar","Solid state emissive azo-Schiff base ligands and their Zn(ii) complexes: acidochromism and photoswitching behaviour","New Journal of Chemistry","2021","45","1","199","207","10.1039/D0NJ03401K","","","0.71073","MoKα","","0.1055","0.0651","","","0.1584","0.1768","","","","","","0.8799","","","","has coordinates","261719","2021-02-04","23:24:24",""
"7060138","10.8345","0.0018","14.111","0.002","16.085","0.003","109.261","0.006","107.479","0.005","91.516","0.006","2192.7","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 N6 O2 S2 Zn -","- C52 H40 N6 O2 S2 Zn -","- C104 H80 N12 O4 S4 Zn2 -","2","1","","Kumar, Yogesh; Singh, Vishwa Deepak; Dwivedi, Bhupendra Kumar; Singh, Nikhil Kumar; Pandey, Daya Shankar","Solid state emissive azo-Schiff base ligands and their Zn(ii) complexes: acidochromism and photoswitching behaviour","New Journal of Chemistry","2021","45","1","199","207","10.1039/D0NJ03401K","","","0.71073","MoKα","","0.0749","0.0507","","","0.1477","0.1674","","","","","","1.072","","","","has coordinates","261719","2021-02-04","23:24:24",""
"7060139","11.1603","0.0006","22.0801","0.001","14.1151","0.0006","90","","96.41","0.002","90","","3456.5","0.3","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H96 Fe6 N10 O22 -","- C50 H96 Fe6 N10 O22 -","- C100 H192 Fe12 N20 O44 -","2","0.5","","Akhtar, Muhammad Nadeem; I., Mantasha; Shahid, M.; AlDamen, Murad A.; Khalid, Muhammad; Akram, Muhammad","Cationic dye adsorption and separation at discrete molecular level: first example of an iron cluster with rapid and selective adsorption of methylene blue from aqueous system","New Journal of Chemistry","2021","45","3","1415","1422","10.1039/D0NJ05242F","","","0.71073","MoKα","","0.0689","0.0394","","","0.0763","0.0855","","","","","","1.023","","","","has coordinates,has disorder","261750","2021-02-04","23:29:08",""
"7060140","9.5806","0.0004","18.4584","0.0009","10.4334","0.0004","90","","91.07","0.004","90","","1844.75","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 N5 -","- C22 H25 N5 -","- C88 H100 N20 -","4","1","","Rakhimova, Elena B.; Kirsanov, Victor Yu.; Mescheryakova, Ekaterina S.; Khalilov, Leonard M.; Ibragimov, Askhat G.","N-Substituted tetrahydropentaazadibenzocycloheptafluorenes ‒ a new type of condensed polyazapolycyclic system","New Journal of Chemistry","2021","45","3","1240","1246","10.1039/D0NJ05270A","","x-ray","0.71073","MoKα","","0.088","0.0479","","","0.1079","0.127","","","","","","1.019","","","","has coordinates","261753","2021-02-04","23:29:30",""
"7060141","21.6539","0.0006","21.6539","0.0006","8.3373","0.0003","90","","90","","120","","3385.54","0.18","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C16 H11 Co2 N5 O6 -","- C16 H13 Co2 N5 O6 -","- C96 H78 Co12 N30 O36 -","6","1","","Wu, Tai-Xue; Jia, Jun-Song; Luo, Wei; Bian, He-Dong; Tang, Hai-Tao; Pan, Ying-Ming; Huang, Fu-Ping","A robust heterogeneous Co-MOF catalyst in azide‒alkyne cycloaddition and Friedel‒Crafts reactions as well as hydrosilylation of alkynes","New Journal of Chemistry","2021","45","2","872","880","10.1039/D0NJ04626D","","x-ray","0.71073","MoKα","","0.0284","0.0241","","","0.0563","0.0587","","","","","","1.052","","","","has coordinates","261740","2021-02-04","23:27:38",""
"7060142","21.6328","0.0009","21.6328","0.0009","8.3468","0.0004","90","","90","","120","","3382.8","0.3","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C16 H13 Co2 N5 O6.33 -","- C16 H13 Co2 N5 O6 -","- C96 H78 Co12 N30 O36 -","6","1","","Wu, Tai-Xue; Jia, Jun-Song; Luo, Wei; Bian, He-Dong; Tang, Hai-Tao; Pan, Ying-Ming; Huang, Fu-Ping","A robust heterogeneous Co-MOF catalyst in azide‒alkyne cycloaddition and Friedel‒Crafts reactions as well as hydrosilylation of alkynes","New Journal of Chemistry","2021","45","2","872","880","10.1039/D0NJ04626D","","","0.71073","MoKα","","0.0416","0.0327","","","0.0631","0.0658","","","","","","0.972","","","","has coordinates","261740","2021-02-04","23:27:38",""
"7060143","16.21","0.008","7.525","0.004","12.606","0.006","90","","97.855","0.006","90","","1523.3","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Fe N O3 P -","- C14 H22 Fe N O3 P -","- C56 H88 Fe4 N4 O12 P4 -","4","1","","Gilmanova, Leisan; Shekurov, Ruslan; Khrizanforov, Mikhail; Ivshin, Kamil; Kataeva, Olga; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Vasily, Miluykov","First example of Ugi's amine as a platform for the construction of chiral coordination polymers: synthesis and properties","New Journal of Chemistry","2021","45","5","2791","2794","10.1039/D0NJ04783J","","","0.71073","MoKα","","0.1418","0.0584","","","0.1306","0.1678","","","","","","1.024","","","","has coordinates","262682","2021-03-05","02:17:03",""
"7060144","11.3027","0.0007","11.3027","0.0007","17.8993","0.0013","90","","90","","90","","2286.7","0.3","296","2","296","2","","","","","","","","7","I 4/m m m","-I 4 2","139","","Ni2(bpy)2L2","","- C48 H54 Fe2 N6 Ni O4 P2 -","- C20 H16 Fe4 N4 Ni O2 P1.2 -","- C40 H32 Fe8 N8 Ni2 O4 P2.4 -","2","0.0625","","Gilmanova, Leisan; Shekurov, Ruslan; Khrizanforov, Mikhail; Ivshin, Kamil; Kataeva, Olga; Bon, Volodymyr; Senkovska, Irena; Kaskel, Stefan; Vasily, Miluykov","First example of Ugi's amine as a platform for the construction of chiral coordination polymers: synthesis and properties","New Journal of Chemistry","2021","45","5","2791","2794","10.1039/D0NJ04783J","","","0.71073","MoKα","","0.1235","0.12","","","0.304","0.3158","","","","","","1.537","","","","has coordinates,has disorder","262682","2021-03-05","02:17:03",""
"7060145","13.4946","0.0018","19.45","0.003","17.18","0.002","90","","105.833","0.003","90","","4338.2","1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- Cs8 H0 Mo12 Na6 O67 P2 Ru V6 -","- Cs8 Mo12 Na6 O67 P2 Ru V6 -","- Cs16 Mo24 Na12 O134 P4 Ru2 V12 -","2","0.5","","Shi, Hao-Yu; Zhou, Wen-Yan; Song, Xiao-Ming; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols","New Journal of Chemistry","2021","45","3","1551","1555","10.1039/D0NJ05752E","","","0.71073","MoKα","","0.0969","0.0823","","","0.1893","0.1946","","","","","","1.214","","","","has coordinates","261751","2021-02-04","23:29:15",""
"7060146","20.281","0.0016","19.8627","0.0015","13.2758","0.001","90","","90","","90","","5348","0.7","296","2","296","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C6 H18 Cs3 Mo6 Na3 O40 P Ru S3 V3 -","- C6 H18 Cs3 Mo6 Na3 O40 P Ru S3 V3 -","- C24 H72 Cs12 Mo24 Na12 O160 P4 Ru4 S12 V12 -","4","1","","Shi, Hao-Yu; Zhou, Wen-Yan; Song, Xiao-Ming; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng","Ruthenium(ii)-supported phosphovanadomolybdates [Ru(dmso)3PMo6V3O32]6− and [Ru(PMo6V3O32)2]14−, and their use as heterogeneous catalysts for oxidation of alcohols","New Journal of Chemistry","2021","45","3","1551","1555","10.1039/D0NJ05752E","","","0.71073","MoKα","","0.0539","0.0526","","","0.1354","0.1359","","","","","","1.154","","","","has coordinates","261751","2021-02-04","23:29:15",""
"7060147","20.251","0.004","6.596","0.0013","18.852","0.004","90","","91.14","0.03","90","","2517.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H114 Cl4 Co N8 O12 -","- C114 H114 Cl4 Co N8 O12 -","- C114 H114 Cl4 Co N8 O12 -","1","0.25","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.79272","synchrotron","","0.0772","0.0593","","","0.1588","0.1756","","","","","","1.032","","","","has coordinates,has disorder","261725","2021-02-04","23:25:11",""
"7060148","9.416","0.0019","13.569","0.003","14.14","0.003","94.41","0.03","97.43","0.03","105.87","0.03","1711.2","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Co F6 N2 O6 -","- C36 H34 Co F6 N2 O6 -","- C72 H68 Co2 F12 N4 O12 -","2","1","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.79272","synchrotron","","0.0755","0.0552","","","0.1498","0.1652","","","","","","1.031","","","","has coordinates,has disorder","261725","2021-02-04","23:25:16",""
"7060149","14.332","0.003","10.037","0.0002","15.245","0.003","90","","95.01","0.03","90","","2184.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O2 -","- C26 H25 Cl N2 O2 -","- C104 H100 Cl4 N8 O8 -","4","1","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.79475","synchrotron","","0.1188","0.0654","","","0.1605","0.1938","","","","","","1.006","","","","has coordinates","261725","2021-02-04","23:25:16",""
"7060150","9.5113","0.0019","13.682","0.003","14.743","0.003","94.97","0.03","95.59","0.03","104.55","0.03","1835.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H27 Cl Co F12 N2 O6 -","- C36 H27 Cl Co F12 N2 O6 -","- C72 H54 Cl2 Co2 F24 N4 O12 -","2","1","","Aldoshin, Sergey; Ivakhnenko, Eugeny; Shilov, Gennadii; Tkachev, Valerii; Utenyshev, Andrei; Palii, Andreii; Dorovatovskii, Pavel; Kovalenko, Anastasiia; Morgunov, Roman; Metelitsa, Anatoly; Minkin, Vladimir","Synthesis, crystal molecular structure, and magnetic characteristics of coordination polymers formed by Co(ii) diketonates with pentaheterocyclic triphenodioxazines","New Journal of Chemistry","2021","45","1","304","313","10.1039/D0NJ05279E","","","0.7879","synchrotron","","0.0597","0.0445","","","0.1169","0.1269","","","","","","1.037","","","","has coordinates,has disorder","261725","2021-02-04","23:25:16",""
"7060151","14.6492","0.0006","13.5479","0.0005","15.744","0.0006","90","","98.053","0.002","90","","3093.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H12.96 B Br1.04 F10 N3 O3 -","- C36 H12.9612 B Br1.0388 F10 N3 O3 -","- C144 H51.8448 B4 Br4.1552 F40 N12 O12 -","4","1","","Holst, Devon P.; Dovijarski, Aleksa; Lough, Alan J.; Bender, Timothy P.","Enhanced analytical and physical characterization of mixtures of random bay-position brominated boron subnaphthalocyanines enabled by establishing a partial separation method","New Journal of Chemistry","2021","45","13","5791","5807","10.1039/D0NJ04974C","","","1.54178","CuKα","","0.0489","0.0384","","","0.0958","0.104","","","","","","1.028","","","","has coordinates,has disorder","264919","2021-05-05","08:54:36",""
"7060152","13.9486","0.0004","22.9133","0.0007","20.0205","0.0006","90","","104.421","0.003","90","","6197.1","0.3","293","0.1","293","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H120 Al4 N4 O32 S8 -","- C92 H120 Al4 N4 O32 S8 -","- C184 H240 Al8 N8 O64 S16 -","2","0.5","","O’Toole, Niall; Lecourt, Constance; Suffren, Yan; Toche, François; Chiriac, Rodica; Gilon, Nicole; Bessueille, François; Brioude, Arnaud; Jeanneau, Erwann; Luneau, Dominique; Desroches, Cédric","Intercalation of a manganese(ii)-thiacalixarene luminescent complex in layered double hydroxides: synthesis and photophysical characterization","New Journal of Chemistry","2021","45","1","343","350","10.1039/D0NJ04890A","","x-ray","0.71073","MoKα","","0.1269","0.0653","","","0.1327","0.1567","","","","","","1","","","","has coordinates,has disorder","261723","2021-02-04","23:24:52",""
"7060153","9.8217","0.0009","9.8217","0.0009","32.6","0.005","90","","90","","120","","2723.5","0.5","298","2","298","2","","","","","","","","6","P 61","P 61","169","","","","- C18 H18 F6 N O P -","- C18 H18 F6 N O P -","- C108 H108 F36 N6 O6 P6 -","6","1","","Puerto Galvis, Carlos E.; Granados, Cristian C.; Kouznetsov, Vladimir V.; Macías, Mario A.","Synthesis and X-ray crystallographic analysis of free base and hexafluorophosphate salts of 3,4-dihydroisoquinolines from the Bischler‒Napieralski reaction","New Journal of Chemistry","2021","45","3","1565","1572","10.1039/D0NJ05235C","","","0.71073","MoKα","","0.0775","0.0636","","","0.1704","0.1866","","","","","","1.073","","","","has coordinates,has disorder","261748","2021-02-04","23:28:52",""
"7060154","11.8343","0.0016","12.4529","0.0011","14.8774","0.0018","90","","106.205","0.013","90","","2105.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Puerto Galvis, Carlos E.; Granados, Cristian C.; Kouznetsov, Vladimir V.; Macías, Mario A.","Synthesis and X-ray crystallographic analysis of free base and hexafluorophosphate salts of 3,4-dihydroisoquinolines from the Bischler‒Napieralski reaction","New Journal of Chemistry","2021","45","3","1565","1572","10.1039/D0NJ05235C","","","0.71073","MoKα","","0.1077","0.0852","","","0.2501","0.2637","","","","","","1.757","","","","has coordinates","261748","2021-02-04","23:28:52",""
"7060157","8.2956","0.0007","8.4968","0.0007","12.4697","0.0011","90","","95.072","0.003","90","","875.5","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N6 O5 -","- C4 H8 N6 O5 -","- C16 H32 N24 O20 -","4","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.1019","0.0984","","","0.2562","0.2576","","","","","","1.275","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060158","8.898","0.003","15.1","0.005","6.171","0.002","90","","97.794","0.009","90","","821.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cl N4 O5 -","- C4 H3 Cl N4 O5 -","- C16 H12 Cl4 N16 O20 -","4","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.0311","0.0293","","","0.0888","0.0905","","","","","","1.066","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060159","7.9304","0.0002","15.4465","0.0005","39.4906","0.0013","90","","90","","90","","4837.5","0.3","170","2","170","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 K3 N12 O15 -","- C12 H9 K3 N12 O15 -","- C96 H72 K24 N96 O120 -","8","1","","Lu, Tian; He, Yuna; Song, Jia; Hou, Zhengwen; Yin, Hongquan; Fan, Guijuan; Chen, Fu-Xue","Synthesis and properties of gem-dinitro energetic salts based on 1,2,4-oxadiazole with low impact sensitivity","New Journal of Chemistry","2021","45","2","526","529","10.1039/D0NJ05530A","","","0.71073","MoKα","","0.0342","0.0275","","","0.0636","0.0677","","","","","","1.079","","","","has coordinates","261743","2021-02-04","23:28:16",""
"7060160","8.2773","0.0003","10.4031","0.0003","15.3328","0.0005","80.801","0.003","79.757","0.003","73.423","0.003","1236.89","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N4 O5 -","- C27 H28 N4 O5 -","- C54 H56 N8 O10 -","2","1","","Ramle, Abdul Qaiyum; Tiekink, Edward R. T.; Fei, Chee Chin; Julkapli, Nurhidayatullaili Muhd.; Basirun, Wan Jefrey","Supramolecular assembly and spectroscopic characterization of indolenine‒barbituric acid zwitterions","New Journal of Chemistry","2021","45","3","1221","1230","10.1039/D0NJ04357E","","","1.54184","CuKα","","0.0588","0.0512","","","0.1416","0.1509","","","","","","1.028","","","","has coordinates","261756","2021-02-04","23:29:47",""
"7060161","10.115","0.006","22.716","0.008","8.414","0.006","90","","102.49","0.05","90","","1887.6","1.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Chortani, Sarra; Othman, Mohamed; Lawson, Ata Martin; Romdhane, Anis; Ben Jannet, Hichem; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten; Daïch, Adam","Aza-heterocyclic frameworks through intramolecular π-system trapping of spiro-N-acyliminiums generated from isoindolinone","New Journal of Chemistry","2021","45","5","2393","2403","10.1039/D0NJ04052E","","","0.71073","MoKα","","0.0903","0.0506","","","0.1156","0.1352","","","","","","1.031","","","","has coordinates","262683","2021-03-05","02:17:09",""
"7060162","8.4505","0.0017","19.92","0.004","13.65","0.003","90","","94.14","0.03","90","","2291.8","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Chortani, Sarra; Othman, Mohamed; Lawson, Ata Martin; Romdhane, Anis; Ben Jannet, Hichem; Knorr, Michael; Brieger, Lukas; Strohmann, Carsten; Daïch, Adam","Aza-heterocyclic frameworks through intramolecular π-system trapping of spiro-N-acyliminiums generated from isoindolinone","New Journal of Chemistry","2021","45","5","2393","2403","10.1039/D0NJ04052E","","","0.71073","MoKα","","0.0549","0.0466","","","0.124","0.1308","","","","","","1.067","","","","has coordinates","262683","2021-03-05","02:17:09",""
"7060163","9.9266","0.0002","12.2058","0.0003","18.2152","0.0005","90","","90.298","0.002","90","","2206.96","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cl N4 Pd S -","- C22 H23 Cl N4 Pd S -","- C88 H92 Cl4 N16 Pd4 S4 -","4","2","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","","0.71073","MoKα","","0.0333","0.0298","","","0.0599","0.0619","","","","","","1.052","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060164","32.138","0.0006","7.4729","0.0001","19.9249","0.0003","90","","100.303","0.002","90","","4708.09","0.13","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H25 Cl N5 O0.5 Pd S -","- C22.5 H25 Cl N5 O0.5 Pd S -","- C180 H200 Cl8 N40 O4 Pd8 S8 -","8","1","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","x-ray","0.71073","MoKα","","0.0384","0.0261","","","0.0572","0.0633","","","","","","1.057","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060165","17.1744","0.0004","7.7314","0.0003","20.6353","0.0005","90","","91.722","0.002","90","","2738.76","0.14","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl4 N5 Pt S -","- C22 H23 Cl4 N5 Pt S -","- C88 H92 Cl16 N20 Pt4 S4 -","4","1","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","","0.71073","MoKα","","0.0628","0.0407","","","0.0729","0.0824","","","","","","1.065","","","","has coordinates,has disorder","261730","2021-02-04","23:26:02",""
"7060166","19.2546","0.0018","15.9382","0.0014","7.3011","0.0006","90","","95.247","0.008","90","","2231.2","0.3","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl N4 Pt S -","- C22 H23 Cl N4 Pt S -","- C88 H92 Cl4 N16 Pt4 S4 -","4","1","","Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.","PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones","New Journal of Chemistry","2021","45","4","1785","1789","10.1039/D0NJ05386D","","x-ray","0.71073","MoKα","","0.0389","0.0276","","","0.0471","0.0516","","","","","","1.06","","","","has coordinates","261730","2021-02-04","23:26:02",""
"7060167","16.8562","0.0008","18.0364","0.0008","11.8855","0.0005","90","","111.028","0.002","90","","3372.9","0.3","298.41","","298.41","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C160 H136 N8 O24 -","8","2","","Lara-Cerón, Jesús A.; Jiménez-Pérez, Víctor M.; Molina-Paredes, Areli A.; Sánchez, Mario; Dias, H. V. Rasika; Ramírez-Montes, Pedro I.; Muñoz-Flores, Blanca M.","Preferential intermolecular interactions in a racemic mixture of amino acid Schiff base, conformational structures in solid state, and DFT studies","New Journal of Chemistry","2021","45","3","1727","1733","10.1039/D0NJ04720A","","","0.71073","MoKα","","0.0882","0.049","","","0.1027","0.1222","","","","","","1.048","","","","has coordinates","261747","2021-02-04","23:28:46",""
"7060168","8.3488","0.0009","10.4603","0.0011","29.766","0.003","90","","90","","90","","2599.5","0.5","273","2","273.15","","","","","","","","organic synthesis","6","P 21 21 21","P 2ac 2ab","19","tricyclic compounds containing trihydro-quinoline","tricyclic compounds containing trihydro-quinoline","","- C28 H18 Cl3 F3 N2 O4 -","- C28 H18 Cl3 F3 N2 O4 -","- C112 H72 Cl12 F12 N8 O16 -","4","1","","Zhang, Xiao-Long; Feng, Kai-Xiang; Hu, Jian-Liang; Shen, Qiao-Yu; Huang, Wang-Sheng; Xia, Ai-Bao; Li, Chen; Xu, Dan-Qian","One-pot asymmetric synthesis of a hexahydrophenanthridine scaffold containing five stereocenters via an organocatalytic quadruple-cascade reaction","New Journal of Chemistry","2021","45","3","1168","1171","10.1039/D0NJ03946B","","","0.71073","MoKα","","0.0551","0.0367","","","0.0669","0.0727","","","","","","0.971","","","","has coordinates","261755","2021-02-04","23:29:41",""
"7060169","9.895","0.0006","14.1098","0.001","17.6549","0.0014","98.039","0.006","91.161","0.006","110.473","0.006","2280.2","0.3","100","2","100","2","","","","","","","no","4","P -1","-P 1","2","","salt of singly-bonded fullerene (C60-)2 dimer with methylviologen radical cations, dichlorobenzene-benzene solvate","","- C162 H41 Cl5 N4 -","- C162 H41 Cl5 N4 -","- C162 H41 Cl5 N4 -","1","0.5","","Konarev, Dmitri V.; Khasanov, Salavat S.; Obraztsov, Oleg A.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Lyubovskaya, Rimma N.","Reversible dissociation of singly-bonded (C60−)2 dimers in (MV˙+)2(C60−)2·solvent salt containing paramagnetic methyl viologen MV˙+ radical cations","New Journal of Chemistry","2021","45","3","1163","1167","10.1039/D0NJ05076H","","x-ray","0.71073","MoKα","","0.1613","0.0955","","","0.2384","0.2642","","","","","","0.972","","","","has coordinates,has disorder","261754","2021-02-04","23:29:36",""
"7060170","13.136","0.003","14.342","0.003","17.946","0.004","97.773","0.005","98.17","0.004","111.683","0.004","3044.4","1.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C88 H126 Cl6 Dy2 N8 O59 Zn4 -","- C88 H126 Cl6 Dy2 N8 O59 Zn4 -","- C88 H126 Cl6 Dy2 N8 O59 Zn4 -","1","0.5","","Zhang, Xiao-Nuan; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui","Multifunctional ZnII‒LnIII (Ln = Tb, Dy) complexes based on the amine-phenol ligand with field-induced slow magnetic relaxation, luminescence, and proton conduction","New Journal of Chemistry","2021","45","7","3392","3399","10.1039/D0NJ04926C","","","0.71073","MoKα","","0.0595","0.0489","","","0.1236","0.1369","","","","","","1.099","","","","has coordinates","262701","2021-03-05","02:21:51",""
"7060171","13.119","0.0015","14.3254","0.0016","17.951","0.002","97.82","0.003","98.14","0.003","111.643","0.003","3038.5","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H70 Cl3 N4 O29 Tb Zn2 -","- C44 H64 Cl3 N4 O29.5 Tb Zn2 -","- C88 H128 Cl6 N8 O59 Tb2 Zn4 -","2","1","","Zhang, Xiao-Nuan; Hu, Jun-Jie; Zhang, Jia-Li; Liu, Sui-Jun; Liao, Jin-Sheng; Wen, He-Rui","Multifunctional ZnII‒LnIII (Ln = Tb, Dy) complexes based on the amine-phenol ligand with field-induced slow magnetic relaxation, luminescence, and proton conduction","New Journal of Chemistry","2021","45","7","3392","3399","10.1039/D0NJ04926C","","","0.71073","MoKα","","0.0842","0.0548","","","0.1227","0.1446","","","","","","1.069","","","","has coordinates","262701","2021-03-05","02:21:51",""
"7060172","11.6051","0.0005","11.6051","0.0005","25.651","0.003","90","","90","","90","","3454.6","0.5","173","","173","","","","","","","","","6","P 4/m c c","-P 4 2c","124","","","","- C56 H57 Cl3 Dy4 N16 O21 -","- C56 H56 Cl3 Dy4 N16 O21 -","- C112 H112 Cl6 Dy8 N32 O42 -","2","0.125","","Wu, Jianfeng; Liu, Dan; Yang, Qianqian; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Magnetic investigation in di- and tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","4","2200","2207","10.1039/D0NJ04247A","","","1.54178","CuKα","","0.1587","0.1185","","","0.2509","0.2773","","","","","","1.119","","","","has coordinates,has disorder","261738","2021-02-04","23:27:22",""
"7060173","13.8109","0.0008","14.5458","0.0008","18.5543","0.001","85.497","0.003","79.19","0.003","75.155","0.003","3537.2","0.3","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H69 Dy2 N11 O17 S4 -","- C62 H63 Dy2 N11 O17 S4 -","- C124 H126 Dy4 N22 O34 S8 -","2","1","","Wu, Jianfeng; Liu, Dan; Yang, Qianqian; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Magnetic investigation in di- and tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","4","2200","2207","10.1039/D0NJ04247A","","","1.54178","CuKα","","0.1183","0.0976","","","0.2168","0.2307","","","","","","1.054","","","","has coordinates,has disorder","261738","2021-02-04","23:27:22",""
"7060174","12.567","0.003","14.56","0.003","18.343","0.005","90","","104.458","0.008","90","","3250","1.4","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","2","","Li, Shasha; Zeng, Gongruixue; Xing, Xiaoqi; Yang, Zhiheng; Ma, Feiyun; Li, Boxia; Cheng, Weiyan; Zhang, Jiankang; He, Ruoyu","Synthesis of C3-alkenylated 2,3,4-trisubstituted pyrrole derivatives through cyclization of methylene isocyanides and ene‒yne‒ketones","New Journal of Chemistry","2021","45","4","1834","1837","10.1039/D0NJ05253A","","","0.71073","MoKα","","0.0603","0.0486","","","0.1159","0.1244","","","","","","1.048","","","","has coordinates,has disorder","261736","2021-02-04","23:27:04",""
"7060175","12.8475","0.0015","13.2526","0.0018","29.65","0.004","90","","102.492","0.005","90","","4928.8","1.1","170","2","170","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C216 H228 N12 O48 -","12","6","","Li, Shasha; Zeng, Gongruixue; Xing, Xiaoqi; Yang, Zhiheng; Ma, Feiyun; Li, Boxia; Cheng, Weiyan; Zhang, Jiankang; He, Ruoyu","Synthesis of C3-alkenylated 2,3,4-trisubstituted pyrrole derivatives through cyclization of methylene isocyanides and ene‒yne‒ketones","New Journal of Chemistry","2021","45","4","1834","1837","10.1039/D0NJ05253A","","","0.71073","MoKα","","0.099","0.0663","","","0.1595","0.187","","","","","","1.035","","","","has coordinates,has disorder","261736","2021-02-04","23:27:04",""
"7060176","7.7292","0.0005","14.6301","0.001","16.7639","0.0008","113.404","0.006","92.846","0.005","96.827","0.006","1717.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 N5 O8 -","- C40 H32 N5 O8 -","- C80 H64 N10 O16 -","2","1","","Liu, Lixin; Liu, Moqi; Zhang, Yunan; Yin, Hemei; Su, Xin; Zhang, Qiang; Feng, Yanru; Guo, Yingxue; Zou, Dongyu; Liu, Yingli","The role of 3-OH in the self-assembly of pharmaceutical cocrystals of dihydroflavonol with 4,4′-bipyridine","New Journal of Chemistry","2021","45","3","1626","1633","10.1039/D0NJ04113K","","","0.71073","MoKα","","0.1495","0.0702","","","0.1352","0.168","","","","","","1.057","","","","has coordinates,has disorder","261752","2021-02-04","23:29:25",""
"7060177","8.6073","0.0004","8.4846","0.0004","34.8953","0.0014","90","","96.014","0.004","90","","2534.4","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H48 N6 O14 -","- C60 H48 N6 O14 -","- C120 H96 N12 O28 -","2","1","","Liu, Lixin; Liu, Moqi; Zhang, Yunan; Yin, Hemei; Su, Xin; Zhang, Qiang; Feng, Yanru; Guo, Yingxue; Zou, Dongyu; Liu, Yingli","The role of 3-OH in the self-assembly of pharmaceutical cocrystals of dihydroflavonol with 4,4′-bipyridine","New Journal of Chemistry","2021","45","3","1626","1633","10.1039/D0NJ04113K","","","0.71073","MoKα","","0.0901","0.0565","","","0.1161","0.1304","","","","","","1.041","","","","has coordinates,has disorder","261752","2021-02-04","23:29:25",""
"7060181","9.1318","0.0002","13.1042","0.0003","17.6741","0.0003","90","","103.849","0.002","90","","2053.49","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H68 Al2 N4 -","- C40 H68 Al2 N4 -","- C80 H136 Al4 N8 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0365","0.0337","","","0.091","0.0936","","","","","","1.036","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060182","29.8017","0.0005","18.1453","0.0004","15.8102","0.0003","90","","90","","90","","8549.5","0.3","123","2","123","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C41 H68 Al2 N6 -","- C41 H68 Al2 N6 -","- C328 H544 Al16 N48 -","8","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0513","0.0415","","","0.11","0.1167","","","","","","1.037","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060183","9.5939","0.0003","10.3764","0.0003","12.9532","0.0004","75.031","0.003","75.198","0.003","64.216","0.003","1106.42","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 Al2 I4 N4 -","- C36 H56 Al2 I4 N4 -","- C36 H56 Al2 I4 N4 -","1","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.031","0.029","","","0.0789","0.0805","","","","","","1.053","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060184","9.79107","0.00015","15.9345","0.0002","13.7124","0.0003","90","","93.7704","0.0016","90","","2134.72","0.06","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 Al2 N4 -","- C42 H72 Al2 N4 -","- C84 H144 Al4 N8 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0383","0.0349","","","0.0925","0.0962","","","","","","1.046","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060185","10.1444","0.0002","15.281","0.0004","14.1282","0.0004","90","","91.173","0.002","90","","2189.65","0.09","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Al2 N6 -","- C42 H70 Al2 N6 -","- C84 H140 Al4 N12 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0392","0.0356","","","0.0935","0.0969","","","","","","1.035","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060186","9.8164","0.0002","14.8423","0.0002","14.3275","0.0003","90","","96.659","0.002","90","","2073.4","0.07","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 Al2 N6 -","- C40 H66 Al2 N6 -","- C80 H132 Al4 N12 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0422","0.0355","","","0.0918","0.0961","","","","","","1.046","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060187","17.8904","0.0002","15.60507","0.00014","16.45733","0.00019","90","","101.73","0.0012","90","","4498.61","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Al2 Cl4 N4 -","- C42 H60 Al2 Cl4 N4 -","- C168 H240 Al8 Cl16 N16 -","4","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0344","0.0296","","","0.0771","0.0801","","","","","","1.038","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060188","10.1421","0.0002","16.2451","0.0003","13.8772","0.0003","90","","95.334","0.002","90","","2276.5","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Al2 I4 N4 -","- C38 H60 Al2 I4 N4 -","- C76 H120 Al4 I8 N8 -","2","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0292","0.0251","","","0.0589","0.0606","","","","","","1.024","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060189","10.2273","0.0002","13.8795","0.0003","17.1873","0.0004","66.377","0.002","86.7647","0.0019","87.4261","0.0019","2231.06","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Al2 I4 N4 -","- C37 H58 Al2 I4 N4 -","- C74 H116 Al4 I8 N8 -","2","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.54184","CuKα","","0.0396","0.0341","","","0.0853","0.09","","","","","","1.037","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060190","9.4936","0.0003","16.5995","0.0004","18.3183","0.0005","63.478","0.003","85.19","0.003","89.826","0.003","2571.95","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H60 Al2 I4 N4 -","- C42 H60 Al2 I4 N4 -","- C84 H120 Al4 I8 N8 -","2","1","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","0.71073","MoKα","","0.0335","0.0296","","","0.0844","0.0854","","","","","","1.03","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060191","17.8187","0.0003","17.3288","0.0002","16.6003","0.0003","90","","90","","90","","5125.79","0.14","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H56 Al2 I4 N6 -","- C37 H56 Al2 I4 N6 -","- C148 H224 Al8 I16 N24 -","4","0.5","","Rösch, Andreas; Seifert, Fabian; Vass, Valentin; Görls, Helmar; Kretschmer, Robert","Synthesis, structure, and catalytic activity of dinuclear aluminium bis(amidinate) and bis(guanidinate) complexes","New Journal of Chemistry","2021","45","2","972","981","10.1039/D0NJ05007E","","","1.39222","CuKβ","","0.0269","0.0256","","","0.0668","0.0678","","","","","","1.052","","","","has coordinates","261741","2021-02-04","23:27:55",""
"7060192","9.142","0.002","9.455","0.002","11.142","0.003","104.291","0.004","107.472","0.004","91.291","0.004","885.3","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C34 H38 N2 O8 Sn2 -","2","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0367","0.0327","","","0.0778","0.0808","","","","","","1.051","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060193","8.942","0.002","10.955","0.002","11.156","0.003","118.128","0.004","98.558","0.004","105.645","0.004","877.7","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C34 H38 N2 O8 Sn2 -","2","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0494","0.0393","","","0.092","0.0991","","","","","","1.001","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060194","11.6366","0.0011","11.8098","0.0011","25.255","0.002","90","","90","","90","","3470.7","0.5","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O4 Sn -","- C17 H19 N O4 Sn -","- C136 H152 N8 O32 Sn8 -","8","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0553","0.0389","","","0.094","0.1068","","","","","","1.081","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060195","7.2969","0.0006","10.3968","0.0008","19.3079","0.0012","90","","90","","90","","1464.78","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 Sn -","- C15 H15 N O3 Sn -","- C60 H60 N4 O12 Sn4 -","4","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0141","0.0136","","","0.0336","0.0339","","","","","","1.072","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060196","6.2298","0.0003","8.0256","0.0004","8.9101","0.0004","105.478","0.004","101.298","0.004","97.248","0.004","413.44","0.04","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","poly[m~2~-aqua-(m~3~-methoxy-tricyanoborato-k^3^N:N':N'')sodium(I)]","","- C4 H5 B N3 Na O2 -","- C4 H5 B N3 Na O2 -","- C8 H10 B2 N6 Na2 O4 -","2","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","","0.71073","MoKα","","0.0357","0.03","","","0.0637","0.0651","","","","","","1.025","","","","has coordinates","268877","2021-09-06","12:06:14",""
"7060197","15.4584","0.0002","7.7624","0.0001","15.2266","0.0002","90","","99.787","0.001","90","","1800.51","0.04","100","2","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 B2 F6 N6 Na2 O3 -","- C10 H6 B2 F6 N6 Na2 O3 -","- C40 H24 B8 F24 N24 Na8 O12 -","4","0.5","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0303","0.0289","","","0.0786","0.0798","","","","","","1.004","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060198","7.3884","0.0002","7.7824","0.0002","8.0923","0.0001","82.094","0.002","71.472","0.002","63.968","0.002","396.426","0.018","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C5 H5 B N3 Na O -","- C5 H5 B N3 Na O -","- C10 H10 B2 N6 Na2 O2 -","2","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0298","0.0289","","","0.0756","0.0764","","","","","","1.072","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060199","5.9444","0.0001","17.4508","0.0002","7.4613","0.0001","90","","96.637","0.001","90","","768.807","0.019","100","2","100","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H5 B Li N3 O2 -","- C4 H5 B Li N3 O2 -","- C16 H20 B4 Li4 N12 O8 -","4","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.061","0.061","","","","","","1.062","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060200","13.8805","0.0002","7.5052","0.0001","15.3649","0.0002","90","","95.168","0.001","90","","1594.15","0.04","100","2","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 B K N3 O -","- C4 H3 B K N3 O -","- C32 H24 B8 K8 N24 O8 -","8","1","","Schopper, Nils; Sprenger, Jan A. P.; Zapf, Ludwig; Reiss, Guido J.; Ignat’ev, Nikolai V.; Finze, Maik","Alkoxycyanoborates: metal salts and low-viscosity ionic liquids","New Journal of Chemistry","2021","45","33","14973","14987","10.1039/D0NJ04950F","","x-ray","1.54184","CuKα","","0.0253","0.0251","","","0.0686","0.0687","","","","","","1.018","","","","has coordinates","268877","2021-09-06","12:06:15",""
"7060201","9.6262","0.001","12.6518","0.0013","13.3053","0.0014","87.69","0.004","81.189","0.004","80.098","0.004","1577.3","0.3","300","2","300","2","","","","","","","","3","P 1","P 1","1","NMePhPh","4,5-bisphenylethynyl-1methylimidazole","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","4","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0717","0.0591","","","0.1521","0.175","","","","","","0.79","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060202","9.541","0.0016","5.0337","0.0009","21.921","0.004","90","","99.137","0.005","90","","1039.4","0.3","300","2","300","2","","","","","","","","5","P 1 21 1","P 2yb","4","NMePhCHO_TFA","4-phenylethynyl-5-(4-formylphenylethynyl)-1-methylimidazolium trifluoroacetate","","- C23 H15 F3 N2 O3 -","- C23 H15 F3 N2 O3 -","- C46 H30 F6 N4 O6 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.082","0.0573","","","0.1529","0.1783","","","","","","0.997","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060203","12.8968","0.0008","14.4328","0.0009","14.7466","0.001","91.829","0.002","115.533","0.002","92.604","0.002","2470.2","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","NMeOMeCHO","4-(4-methoxyphenylethynyl)-5-(4-formylphenylethynyl)-1-methylimidazolium trifluoroacetate","","- C50 H35 F9 N4 O10 -","- C50 H34 F9 N4 O10 -","- C100 H68 F18 N8 O20 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.1502","0.0757","","","0.1972","0.2456","","","","","","1.224","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060204","10.8306","0.0003","16.0766","0.0005","11.0441","0.0003","90","","119.237","0.001","90","","1678.01","0.09","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-phenyl-5-(4-formylphenylethynyl)-1-methylimidazole","","- C21 H14 N2 O -","- C21 H14 N2 O -","- C84 H56 N8 O4 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0532","0.0433","","","0.1214","0.1382","","","","","","0.779","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060205","21.855","0.007","5.4499","0.0015","16.896","0.005","90","","94.485","0.01","90","","2006.3","1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","NMePhPh-TFA","4,5-bis(phenylethynyl)-1-methylimidazolium trifluoroacetate","","- C22 H15 F3 N2 O2 -","- C22 H15 F3 N2 O2 -","- C88 H60 F12 N8 O8 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.1298","0.0744","","","0.1948","0.24","","","","","","1.145","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060206","9.5584","0.0003","22.8679","0.0006","8.4503","0.0002","90","","106.787","0.001","90","","1768.36","0.08","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NMeCHOCHO","4,5-bis(4-formylphenylethynyl)-1-methylimidazole","","- C22 H14 N2 O2 -","- C22 H14 N2 O2 -","- C88 H56 N8 O8 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.049","0.0425","","","0.1514","0.1656","","","","","","1.454","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060207","9.332","0.0004","9.83","0.0004","11.3679","0.0005","97.151","0.002","114.146","0.001","102.008","0.002","904.73","0.07","273","2","273","2","","","","","","","","4","P -1","-P 1","2","NMeOMeCHO","4-(4-methoxyphenylethynyl)-5-(4-formylphenylethynyl)-1-methylimidazole","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.0554","0.0482","","","0.1659","0.1766","","","","","","1.396","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060208","10.4483","0.0009","7.9356","0.0007","22.7149","0.0018","90","","95.017","0.003","90","","1876.2","0.3","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-bis(4-methoxyphenylethynyl)-1-methyl-imidazole","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","","Miura, Youhei; Kobayashi, Kotaro; Yoshioka, Naoki","V-shaped fluorophores with a 1-methyl-4,5-bis(arylethynyl)imidazole skeleton displaying solid-state fluorescence, acid responsiveness, and remarkable fluorescence solvatochromism","New Journal of Chemistry","2021","45","2","898","905","10.1039/D0NJ05323F","","","0.71073","MoKα","","0.139","0.0982","","","0.2446","0.295","","","","","","1.438","","","","has coordinates","261739","2021-02-04","23:27:32",""
"7060209","8.435","0.007","15.806","0.013","8.468","0.007","90","","90","","90","","1129","1.6","296","2","296.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cl5 H12 N3 Pb -","- Cl5 H12 N3 Pb -","- Cl20 H48 N12 Pb4 -","4","0.5","","Zhu, Liang; Jin, Wenqi; Yang, Zhihua; Yang, Yun; Pan, Shilie","The synthesis, characterization, and theoretical analysis of (NH4)3PbCl5","New Journal of Chemistry","2021","45","4","2038","2043","10.1039/D0NJ05771A","","","0.71073","MoKα","","0.0326","0.0262","","","0.0682","0.0712","","","","","","1.135","","","","has coordinates","261734","2021-02-04","23:26:51",""
"7060210","8.6466","0.0003","7.0684","0.0003","11.6275","0.0005","90","","94.936","0.004","90","","708.01","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C36 H24 S4 -","2","0.5","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0607","0.0544","","","0.1288","0.1411","","","","","","1.124","","","","has coordinates,has disorder","261732","2021-02-04","23:26:17",""
"7060211","8.1911","0.0001","15.514","0.0001","14.1816","0.0002","90","","90","","90","","1802.15","0.04","149.99","0.1","149.99","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C22 H16 O4 S2 -","- C22 H16 O4 S2 -","- C88 H64 O16 S8 -","4","1","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0586","0.0588","","","","","","1.03","","","","has coordinates","261732","2021-02-04","23:26:17",""
"7060212","5.9263","0.0001","18.9112","0.0002","24.8642","0.0003","90","","90","","90","","2786.62","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","2","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0576","0.0559","","","0.1674","0.1695","","","","","","1.108","","","","has coordinates,has disorder","261732","2021-02-04","23:26:17",""
"7060213","10.9084","0.0002","10.59026","0.00018","12.3593","0.0003","90","","104.253","0.002","90","","1383.83","0.05","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C72 H48 S8 -","4","1","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.032","0.0286","","","0.0794","0.0824","","","","","","1.074","","","","has coordinates","261732","2021-02-04","23:26:17",""
"7060214","11.7498","0.0003","14.6319","0.0004","14.6998","0.0004","90","","100.583","0.001","90","","2484.23","0.12","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu Er N5 O13 -","- C20 H22 Cu Er N5 O13 -","- C80 H88 Cu4 Er4 N20 O52 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","x-ray","0.71073","MoKα","","0.0257","0.0194","","","0.0412","0.0436","","","","","","1.066","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060215","12.11","0.005","23.722","0.005","11.489","0.005","90","0.005","112.009","0.005","90","0.005","3060","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O13 Pr Zn -","- C23 H28 N4 O13 Pr Zn -","- C92 H112 N16 O52 Pr4 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0935","0.0663","","","0.1167","0.129","","","","","","1.22","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060216","12.014","0.005","23.693","0.005","11.509","0.005","90","0.005","111.885","0.005","90","0.005","3039.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 Nd O13 Zn -","- C23 H28 N4 Nd O13 Zn -","- C92 H112 N16 Nd4 O52 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.1304","0.0809","","","0.1809","0.2227","","","","","","1.049","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060217","17.832","0.003","15.148","0.002","20.585","0.003","90","","102.116","0.001","90","","5436.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Dy2 N8 O24 Zn2 -","- C44 H50 Dy2 N8 O24 Zn2 -","- C176 H200 Dy8 N32 O96 Zn8 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0401","0.0359","","","0.0886","0.0935","","","","","","1.059","","","","has coordinates","262684","2021-03-05","02:17:38",""
"7060218","11.436","0.005","23.8","0.005","11.895","0.005","90","","111.805","0.005","90","","3005.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C23 H28 N4 O13 Sm Zn -","- C23 H28 N4 O13 Sm Zn -","- C92 H112 N16 O52 Sm4 Zn4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.1539","0.1067","","","0.1944","0.2177","","","","","","1.166","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060219","17.803","0.002","15.1306","0.0019","20.604","0.003","90","","102.025","0.002","90","","5428.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Er2 N8 O24 Zn2 -","- C44 H52 Er2 N8 O24 Zn2 -","- C176 H208 Er8 N32 O96 Zn8 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.032","0.0274","","","0.0677","0.0705","","","","","","1.061","","","","has coordinates","262684","2021-03-05","02:17:38",""
"7060220","11.8416","0.0013","14.6648","0.0016","14.8379","0.0017","90","","101.178","0.004","90","","2527.8","0.5","110","","110.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N5 O13 Pr -","- C20 H22 Cu N5 O13 Pr -","- C80 H88 Cu4 N20 O52 Pr4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","x-ray","0.71073","MoKα","","0.0403","0.0325","","","0.0734","0.0799","","","","","","1.054","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060221","11.7752","0.0005","14.6236","0.0006","14.7256","0.0006","90","","100.653","0.002","90","","2491.98","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu Dy N5 O13 -","- C20 H22 Cu Dy N5 O13 -","- C80 H88 Cu4 Dy4 N20 O52 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0265","0.0244","","","0.0526","0.0537","","","","","","1.221","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060222","11.8049","0.0009","14.7","0.0011","14.8759","0.0012","90","","100.951","0.003","90","","2534.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N5 Nd O13 -","- C20 H22 Cu N5 Nd O13 -","- C80 H88 Cu4 N20 Nd4 O52 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0463","0.0291","","","0.0588","0.0664","","","","","","1.092","","","","has coordinates","262684","2021-03-05","02:17:38",""
"7060223","11.8697","0.0011","14.6939","0.001","14.8613","0.0014","90","","101.23","0.004","90","","2542.4","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cu N5 O13 Sm -","- C20 H22 Cu N5 O13 Sm -","- C80 H88 Cu4 N20 O52 Sm4 -","4","1","","Verma, Abhineet; Hossain, S. K. Saddam; Sunkari, Sailaja S.; Reibenspies, Joseph; Saha, Satyen","Ligand influence versus electronic configuration of d-metal ion in determining the fate of NIR emission from LnIII ions: a case study with CuII, NiII and ZnII complexes","New Journal of Chemistry","2021","45","5","2696","2709","10.1039/D0NJ04020G","","","0.71073","MoKα","","0.0415","0.03","","","0.0646","0.0705","","","","","","1.03","","","","has coordinates,has disorder","262684","2021-03-05","02:17:38",""
"7060224","8.0335","0.0007","8.3743","0.0008","10.4076","0.001","104.296","0.009","104.67","0.008","105.419","0.008","614.77","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 Cl2 N2 O16 -","- C18 H30 Cl2 N2 O16 -","- C18 H30 Cl2 N2 O16 -","1","0.5","","Giorgi, Luca; Ambrosi, Gianluca; Paderni, Daniele; Conti, Luca; Amatori, Stefano; Romagnoli, Francesca; Rossi, Patrizia; Formica, Mauro; Macedi, Eleonora; Giorgi, Claudia; Paoli, Paola; Fanelli, Mirco; Fusi, Vieri","Bis-maltol-polyamine family: structural modifications at strategic positions. Synthesis, coordination and antineoplastic activity of two new ligands","New Journal of Chemistry","2021","45","5","2659","2669","10.1039/D0NJ05327A","","","0.71073","MoKα","","0.0606","0.0505","","","0.1325","0.1371","","","","","","1.188","","","","has coordinates","262678","2021-03-05","02:16:00",""
"7060225","12.343","0.002","14.617","0.003","18.348","0.003","81.497","0.009","89.659","0.008","89.249","0.009","3273.6","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18.5 N Ni O7.75 -","- C15 H17 N Ni O7.75 -","- C120 H136 N8 Ni8 O62 -","8","4","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Mudi, Prafullya Kumar; Biswas, Bhaskar; Weyhermüller, Thomas; Ghosh, Prasanta","Nickel(ii) di-aqua complex containing a water cluster: synthesis, X-ray structure and catecholase activity","New Journal of Chemistry","2021","45","4","2221","2227","10.1039/D0NJ05238H","","","1.54178","CuKα","","0.0701","0.0643","","","0.1538","0.1572","","","","","","1.101","","","","has coordinates","261735","2021-02-04","23:26:56",""
"7060226","12.3202","0.0002","15.2533","0.0003","20.1701","0.0004","88.56","0.001","74.88","0.001","76.917","0.001","3561.92","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H51 Cl6 Dy N3 O12 P3 -","- C72 H51 Cl6 Dy N3 O12 P3 -","- C144 H102 Cl12 Dy2 N6 O24 P6 -","2","1","","Zhang, Chunyang; Liu, Mengyao; Cai, Xingwei; Chen, Lei; Liu, Yuan-Zhong; Cui, Huihui; Zhang, Shao-Liang; Yuan, Aihua","Observation of field-induced single-ion magnet behavior in an octahedral dysprosium complex with a strong ligand field","New Journal of Chemistry","2021","45","5","2404","2409","10.1039/D0NJ05398H","","","0.71073","MoKα","","0.0906","0.0462","","","0.0864","0.1018","","","","","","0.911","","","","has coordinates","262677","2021-03-05","02:15:55",""
"7060257","10.8838","0.0004","11.2775","0.0004","13.4147","0.0005","99.504","0.001","105.864","0.001","105.718","0.001","1472.87","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl2 Cu N5 O9 -","- C27 H27 Cl2 Cu N5 O9 -","- C54 H54 Cl4 Cu2 N10 O18 -","2","1","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.0515","0.0394","","","0.1023","0.1197","","","","","","1.145","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060258","15.0585","0.0008","13.6007","0.0007","22.7597","0.0012","90","","99.915","0.002","90","","4591.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl2 Cu2 N7 O10 -","- C48 H43 Cl2 Cu2 N7 O10 -","- C192 H172 Cl8 Cu8 N28 O40 -","4","1","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.0637","0.0439","","","0.0997","0.1119","","","","","","1.064","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060259","17.5941","0.0009","12.3401","0.0007","12.9129","0.0007","90","","100.26","0.002","90","","2758.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl2 Cu N5 O9 -","- C24 H25 Cl2 Cu N5 O9 -","- C96 H100 Cl8 Cu4 N20 O36 -","4","1","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.0919","0.0675","","","0.1159","0.1255","","","","","","1.161","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060260","12.543","0.002","14.391","0.003","14.081","0.003","90","","108.768","0.005","90","","2406.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl2 Cu2 N10 O10 -","- C48 H48 Cl2 Cu2 N10 O10 -","- C96 H96 Cl4 Cu4 N20 O20 -","2","0.5","","Agarwal, Pratibha; Kumar, Akhilesh; Richa,; Verma, Indresh; Erande, Rohan D.; Kłak, Julia; Mota, Antonio J.; Arora, Himanshu; Rajput, Amit","The reversible inter-conversion of copper(ii) dimers bearing phenolate-based ligands in their monomers: theoretical and experimental viewpoints","New Journal of Chemistry","2021","45","3","1203","1215","10.1039/D0NJ00484G","","","0.71073","MoKα","","0.1792","0.0889","","","0.2026","0.2627","","","","","","1.027","","","","has coordinates","261749","2021-02-04","23:29:03",""
"7060261","9.274","0.005","10.062","0.006","11.598","0.005","90","","126.54","0.03","90","","869.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B6 F2 K Na O9 -","- B6 F2 K Na O9 -","- B24 F8 K4 Na4 O36 -","4","1","","Chen, Zilong; Feng, Junwei; Dai, Bin; Yu, Feng","NaKB6O9F2: a new complex alkali metal fluorooxoborate with puckered layers","New Journal of Chemistry","2021","45","6","2974","2980","10.1039/D0NJ05124A","","","0.71073","MoKα","","0.0483","0.0345","","","0.0803","0.0884","","","","","","1.053","","","","has coordinates","262692","2021-03-05","02:19:38",""
"7060262","6.9795","0.0008","9.9569","0.0011","14.5673","0.0017","108.531","0.002","92.161","0.003","97.846","0.003","947.32","0.19","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C44 H48 N8 O2 -","2","1","","Zaitseva, Elvira R.; Smirnov, Alexander Yu.; Myasnyanko, Ivan N.; Mineev, Konstantin S.; Sokolov, Anatolii I.; Volkhina, Tatyana N.; Mikhaylov, Andrey A.; Baleeva, Nadezhda S.; Baranov, Mikhail S.","Imidazol-5-ones as a substrate for [1,5]-hydride shift triggered cyclization","New Journal of Chemistry","2021","45","4","1805","1808","10.1039/D0NJ05738J","","","0.71073","MoKα","","0.0981","0.0523","","","0.1034","0.1227","","","","","","0.995","","","","has coordinates","261729","2021-02-04","23:25:54",""
"7060263","16.3814","0.0006","11.6206","0.0005","8.1169","0.0003","90","","102.453","0.002","90","","1508.79","0.1","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","0.5","","Trannoy, Virgile; Léaustic, Anne; Gadan, Sophie; Guillot, Régis; Allain, Clémence; Clavier, Gilles; Mazerat, Sandra; Geffroy, Bernard; Yu, Pei","A highly efficient solution and solid state ESIPT fluorophore and its OLED application","New Journal of Chemistry","2021","45","6","3014","3021","10.1039/D0NJ05600F","","x-ray","0.71073","MoKα","","0.0597","0.0415","","","0.1122","0.1249","","","","","","1.06","","","","has coordinates","262686","2021-03-05","02:18:11",""
"7060264","10.567","0.004","14.026","0.006","14.576","0.007","63.574","0.009","80.575","0.009","85.045","0.009","1908.3","1.4","296","2","296.35","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 Cl4.83 N6 O4 Zn2.91 -","- C31 H47 Cl4.8298 N6 O4 Zn2.9149 -","- C62 H94 Cl9.6596 N12 O8 Zn5.8298 -","2","1","","Chakraborty, Tonmoy; Mukherjee, Somali; Parveen, Rumana; Chandra, Arpita; Samanta, Debabrata; Das, Debasis","A combined experimental and theoretical rationalization of an unusual zinc(ii)-mediated conversion of 18-membered Schiff-base macrocycles to 18-membered imine‒amine macrocycles with imidazolidine side rings: an investigation of their bio-relevant catalytic activities","New Journal of Chemistry","2021","45","5","2550","2562","10.1039/D0NJ05635A","","","0.71073","MoKα","","0.057","0.0394","","","0.104","0.1127","","","","","","1.038","","","","has coordinates,has disorder","262680","2021-03-05","02:16:46",""
"7060265","10.728","0.006","14.28","0.007","14.804","0.007","63.783","0.009","81.07","0.009","84.834","0.009","2009.4","1.8","296","2","295.77","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H47 Br4.89 N6 O4 Zn2.95 -","- C31 H47 Br4.89 N6 O4 Zn2.945 -","- C62 H94 Br9.78 N12 O8 Zn5.89 -","2","1","","Chakraborty, Tonmoy; Mukherjee, Somali; Parveen, Rumana; Chandra, Arpita; Samanta, Debabrata; Das, Debasis","A combined experimental and theoretical rationalization of an unusual zinc(ii)-mediated conversion of 18-membered Schiff-base macrocycles to 18-membered imine‒amine macrocycles with imidazolidine side rings: an investigation of their bio-relevant catalytic activities","New Journal of Chemistry","2021","45","5","2550","2562","10.1039/D0NJ05635A","","","0.71073","MoKα","","0.0891","0.0631","","","0.1487","0.1708","","","","","","1.121","","","","has coordinates,has disorder","262680","2021-03-05","02:16:49",""
"7060266","15.7632","0.0016","6.4133","0.0006","46.61","0.004","90","","90","","90","","4712","0.8","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H29 N3 O3 S2 -","- C24 H29 N3 O3 S2 -","- C192 H232 N24 O24 S16 -","8","2","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.1292","0.0853","","","0.16","0.1854","","","","","","1.042","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060267","6.3667","0.0004","17.6099","0.0015","23.2688","0.0015","71.121","0.007","86.114","0.005","87.188","0.006","2461.8","0.3","373","0.3","373","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O3 S2 -","- C25 H30 N2 O3 S2 -","- C100 H120 N8 O12 S8 -","4","2","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.268","0.1815","","","0.4551","0.5054","","","","","","1.393","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060268","17.9047","0.0013","6.402","0.0004","23.403","0.002","90","","110.612","0.009","90","","2510.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N2 O4 S2 -","- C25 H32 N2 O4 S2 -","- C100 H128 N8 O16 S8 -","4","1","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.076","0.0487","","","0.1066","0.1213","","","","","","1.02","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060269","7.7358","0.0005","12.5412","0.0008","13.7109","0.0008","94.929","0.005","98.64","0.005","104.714","0.005","1261.2","0.14","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O7 S2 -","- C25 H30 N2 O7 S2 -","- C50 H60 N4 O14 S4 -","2","1","","Du, Rongkai; Xu, Juan; Li, Jing; Zhang, Lei; Ning, Lifeng; Li, Shan","Pharmaceutical salt and salt hydrates of vortioxetine with sulfonic acid to ameliorate the solubility and hygroscopicity via the charge-assisted hydrogen bond assembly","New Journal of Chemistry","2021","45","3","1474","1481","10.1039/D0NJ05052K","","x-ray","0.71073","MoKα","","0.0542","0.0394","","","0.0953","0.1035","","","","","","1.031","","","","has coordinates","261746","2021-02-04","23:28:39",""
"7060270","25.646","0.005","20.99","0.005","16.79","0.004","90","","122.595","0.005","90","","7615","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H104 Cl2 N24 O28 -","- C52 H68 Cl2 N24 O14 -","- C208 H272 Cl8 N96 O56 -","4","0.5","","Cao, Long; Guo, Han-Ling; Lin, Rui-Lian; Zhang, Zhi-Hua; Tian, Li-Fei; Liu, Jing-Xin; Tao, Zhu","Separation of phenylenediamine isomers by using decamethylcucurbit[5]uril","New Journal of Chemistry","2021","45","5","2754","2759","10.1039/D0NJ05999D","","","0.71073","MoKα","","0.1333","0.1131","","","0.3444","0.3766","","","","","","1.003","","","","has coordinates","262675","2021-03-05","02:15:28",""
"7060271","23.109","0.008","19.254","0.008","17.607","0.006","90","","93.46","0.013","90","","7820","5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H88 Cl2 N24 O20 -","- C52 H68 N24 O10 -","- C208 H272 N96 O40 -","4","0.5","","Cao, Long; Guo, Han-Ling; Lin, Rui-Lian; Zhang, Zhi-Hua; Tian, Li-Fei; Liu, Jing-Xin; Tao, Zhu","Separation of phenylenediamine isomers by using decamethylcucurbit[5]uril","New Journal of Chemistry","2021","45","5","2754","2759","10.1039/D0NJ05999D","","","0.71073","MoKα","","0.1066","0.0774","","","0.2368","0.2605","","","","","","1.004","","","","has coordinates","262675","2021-03-05","02:15:28",""
"7060272","5.7481","0.0006","5.842","0.0007","9.9504","0.0011","90","","91.39","0.005","90","","334.04","0.06","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H6 N4 O4 -","- C3 H6 N4 O4 -","- C6 H12 N8 O8 -","2","0.5","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.0377","0.0356","","","0.1017","0.1045","","","","","","1.146","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060273","24.1038","0.001","5.006","0.0002","15.4562","0.0007","90","","108.365","0.003","90","","1770.01","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O3 -","- C4 H6 N8 O3 -","- C32 H48 N64 O24 -","8","2","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.0343","0.029","","","0.0734","0.0774","","","","","","1.033","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060274","19.5213","0.0006","5.1844","0.0001","14.8287","0.0005","90","","104.686","0.0011","90","","1451.73","0.07","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H6 Cl N3 O5 -","- C3 H6 Cl N3 O5 -","- C24 H48 Cl8 N24 O40 -","8","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0289","0.0253","","","0.068","0.0706","","","","","","1.046","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060275","6.1158","0.0007","9.1928","0.0009","9.3984","0.001","90","","90","","90","","528.39","0.1","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C12 H16 N16 O8 -","4","0.5","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.038","0.0342","","","0.0889","0.0913","","","","","","1.066","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060276","8.4296","0.0013","5.5977","0.0009","19.058","0.003","90","","96.392","0.01","90","","893.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 N10 O -","- C4 H6 N10 O -","- C16 H24 N40 O4 -","4","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","1.54178","CuKα","","0.1868","0.0915","","","0.2173","0.3006","","","","","","0.973","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060277","5.2488","0.0008","13.9673","0.0014","14.1051","0.0018","90","","90","","90","","1034.1","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 N10 O3 -","- C5 H6 N10 O3 -","- C20 H24 N40 O12 -","4","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0655","0.0401","","","0.0863","0.0967","","","","","","1.013","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060278","7.206","0.0004","9.3911","0.0005","9.4448","0.0005","71.6516","0.0019","85.772","0.002","71.196","0.002","574","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O5 -","- C6 H6 N10 O5 -","- C12 H12 N20 O10 -","2","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0754","0.0425","","","0.0921","0.1065","","","","","","1.023","","","","has coordinates,has disorder","261737","2021-02-04","23:27:16",""
"7060279","19.968","0.006","8.587","0.003","19.82","0.006","90","","92.046","0.009","90","","3396.3","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 F N5 O10 Sm -","- C29 H29 Cl2 F N5 O10 Sm -","- C116 H116 Cl8 F4 N20 O40 Sm4 -","4","1","","Huang, Yan; Shen, Yin-Jing; Chen, Ting-Ting; Li, Benxia; Zhang, Kun","Specific detection and determination of cysteine by a luminescent samarium macrocycle-based fluorescent probe platform","New Journal of Chemistry","2021","45","5","2366","2369","10.1039/D0NJ05392A","","","0.71073","MoKα","","0.1194","0.0894","","","0.1914","0.205","","","","","","1.086","","","","has coordinates","262681","2021-03-05","02:16:55",""
"7060280","12.9052","0.0004","12.9624","0.0003","16.0579","0.0005","97.822","0.002","103.366","0.003","91.281","0.002","2585.09","0.13","122.97","0.13","122.97","0.13","","","","","","","","10","P -1","-P 1","2","","","","- C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2 -","- C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2 -","- C74.7 H61.4 Ag2 As8 Cl5.4 F12 Mo8 N4 O16 P2 -","1","0.5","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0372","0.0355","","","0.0955","0.0971","","","","","","1.05","","","","has coordinates,has disorder","261726","2021-02-04","23:25:33",""
"7060281","10.877","0.0002","13.3926","0.0002","13.6762","0.0002","100.557","0.001","111.557","0.001","100.631","0.001","1751.08","0.05","123","0.1","123","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C23 H20 Ag As2 F6 Mo2 N3 O4 P -","- C23 H20 Ag As2 F6 Mo2 N3 O4 P -","- C46 H40 Ag2 As4 F12 Mo4 N6 O8 P2 -","2","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.39222","CuKβ","","0.035","0.0301","","","0.0718","0.0746","","","","","","1.034","","","","has coordinates,has disorder","261726","2021-02-04","23:25:35",""
"7060282","12.8682","0.0007","13.0664","0.0006","15.942","0.0008","98.621","0.004","103.144","0.004","90.062","0.004","2579.1","0.2","123","0.2","123","0.2","","","","","","","","10","P -1","-P 1","2","","","","- C37.5 H30 Ag As4 Cl3 F6 Mo4 N2 O8 P -","- C36 H27 Ag As4 F6 Mo4 N2 O8 P -","- C72 H54 Ag2 As8 F12 Mo8 N4 O16 P2 -","2","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","","1.54184","CuKα","","0.0373","0.0356","","","0.098","0.1","","","","","","1.025","","","","has coordinates,has disorder","261726","2021-02-04","23:25:35",""
"7060283","12.5558","0.0003","21.4306","0.0005","10.6865","0.0002","90","","101.817","0.002","90","","2814.56","0.11","123.01","0.1","123.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Ag As2 F6 Mo2 N4 O4 P -","- C22 H16 Ag As2 F6 Mo2 N4 O4 P -","- C88 H64 Ag4 As8 F24 Mo8 N16 O16 P4 -","4","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0628","0.059","","","0.1532","0.1588","","","","","","1.056","","","","has coordinates","261726","2021-02-04","23:25:35",""
"7060284","24.8486","0.0004","18.8751","0.0003","15.5925","0.0003","90","","98.2656","0.0017","90","","7237.2","0.2","123.11","0.1","123.11","0.1","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Ag As3 Cl2 F6 Mo3 N O6 P -","- C27 H21 Ag As3 Cl2 F6 Mo3 N O6 P -","- C216 H168 Ag8 As24 Cl16 F48 Mo24 N8 O48 P8 -","8","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0286","0.0254","","","0.0627","0.065","","","","","","1.038","","","","has coordinates,has disorder","261726","2021-02-04","23:25:35",""
"7060285","10.7861","0.0002","20.7482","0.0004","26.5944","0.0005","79.429","0.002","87.128","0.002","77.47","0.002","5710.9","0.2","122.97","0.12","122.97","0.12","","","","","","","","9","P -1","-P 1","2","","","","- C90 H80 Ag4 As8 F24 Mo8 N8 O16 P4 -","- C90 H80 Ag4 As8 F24 Mo8 N8 O16 P4 -","- C180 H160 Ag8 As16 F48 Mo16 N16 O32 P8 -","2","1","","Moussa, Mehdi Elsayed; Schiller, Jana; Seidl, Michael; Shelyganov, Pavel A.; Scheer, Manfred","Discrete and polymeric organometallic-organic assemblies based on the diarsene complex [(Cp)2Mo2(CO)4(μ,η2-As2)], AgPF6 and N-donor organic molecules","New Journal of Chemistry","2021","45","4","1800","1804","10.1039/D0NJ05959E","","x-ray","1.54184","CuKα","","0.0348","0.0306","","","0.073","0.0754","","","","","","1.047","","","","has coordinates","261726","2021-02-04","23:25:35",""
"7060286","21.8025","0.001","22.095","0.001","48.236","0.002","90","","90.174","0.004","90","","23236.4","1.8","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C122.5 H109 Cu2 N10 O18 S8 -","- C120 H104 Cu2 N8 O16 S8 -","- C960 H832 Cu16 N64 O128 S64 -","8","1","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","0.71073","MoKα","","0.2104","0.0782","","","0.1786","0.2484","","","","","","0.933","","","","has coordinates","262691","2021-03-05","02:19:32",""
"7060287","28.6962","0.0018","16.3215","0.001","20.524","0.0011","90","","90","","90","","9612.7","1","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C103 H115 Cd2 N10 O28 S4 -","- C81 H66 Cd2 N5 O19 S4 -","- C324 H264 Cd8 N20 O76 S16 -","4","1","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","0.71073","MoKα","","0.0806","0.0527","","","0.1315","0.1467","","","","","","0.994","","","","has coordinates","262691","2021-03-05","02:19:32",""
"7060288","11.1814","0.0002","23.0432","0.0004","16.9568","0.0004","90","","107.771","0.002","90","","4160.54","0.15","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C82 H97 Cd Cl2 N9 O8 S4 -","- C60 H52 Cd Cl2 N4 O8 S4 -","- C120 H104 Cd2 Cl4 N8 O16 S8 -","2","0.5","","Wang, Fei-Fei; Li, Jia-Hui; Liu, Hai-Yan; Deng, Shu-Ping; Liu, Ying-Ying; Ma, Jian-Fang","Functionalized resorcin[4]arene-based coordination polymers as heterogeneous catalysts for click reactions","New Journal of Chemistry","2021","45","6","3181","3187","10.1039/D0NJ06051H","","","1.54184","CuKα","","0.0443","0.0388","","","0.1004","0.105","","","","","","0.969","","","","has coordinates,has disorder","262691","2021-03-05","02:19:32",""
"7060289","12.6083","0.0016","7.6426","0.0009","16.1273","0.0019","90","","109.076","0.002","90","","1468.7","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N2 O6 -","- C13 H13 Co N2 O6 -","- C52 H52 Co4 N8 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0901","0.0844","","","0.252","0.2571","","","","","","1.061","","","","has coordinates","262698","2021-03-05","02:21:31",""
"7060290","12.5486","0.0014","7.6374","0.0009","16.0778","0.0018","90","","109.037","0.002","90","","1456.6","0.3","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu N2 O4 -","- C13 H9 Cu N2 O4 -","- C52 H36 Cu4 N8 O16 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0418","0.0373","","","0.0831","0.0843","","","","","","1.158","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060291","12.3235","0.0009","7.6722","0.0005","16.1144","0.0012","90","","108.581","0.001","90","","1444.17","0.18","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N2 O6 Zn -","- C13 H13 N2 O5 Zn -","- C52 H52 N8 O20 Zn4 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.069","0.0532","","","0.1731","0.1856","","","","","","1.114","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060292","12.5435","0.0009","7.6671","0.0006","16.1534","0.0011","90","","108.771","0.001","90","","1470.88","0.19","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cr N2 O6 -","- C13 H13 Cr N2 O6 -","- C52 H52 Cr4 N8 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0966","0.0835","","","0.2395","0.2525","","","","","","1.079","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060293","12.4092","0.0009","7.67","0.0005","16.0912","0.0012","90","","108.642","0.001","90","","1451.18","0.18","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N2 Ni O6 -","- C13 H13 N2 Ni O6 -","- C52 H52 N8 Ni4 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0611","0.0583","","","0.1695","0.1713","","","","","","1.106","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060294","12.228","0.003","7.695","0.0016","16.114","0.004","90","","108.418","0.004","90","","1438.6","0.6","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Fe N2 O6 -","- C13 H13 Fe N2 O6 -","- C52 H52 Fe4 N8 O24 -","4","1","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.1601","0.073","","","0.2046","0.2562","","","","","","1.022","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060295","7.04","0.004","10.055","0.006","11.499","0.007","90","","95.072","0.01","90","","810.8","0.8","293.15","","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H16 Mn N2 O10 -","- C16 H16 Mn N2 O10 -","- C32 H32 Mn2 N4 O20 -","2","0.5","","Xin, Yu; Zhou, Jun; Xing, Yong Heng; Bai, Feng Ying; Sun, Li Xian","A series of porous 3D inorganic‒organic hybrid framework crystalline materials based on 5-aminoisophthalic acid for photocatalytic degradation of crystal violet","New Journal of Chemistry","2021","45","7","3432","3440","10.1039/D0NJ05472K","","","0.71073","MoKα","","0.0966","0.0537","","","0.1209","0.1394","","","","","","1.044","","","","has coordinates","262698","2021-03-05","02:21:32",""
"7060296","37.4938","0.0011","37.4938","0.0011","12.6456","0.0004","90","","90","","120","","15395.3","0.8","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H36 Co N5 O13 -","- C31 H36 Co N5 O13 -","- C558 H648 Co18 N90 O234 -","18","1","","Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.","Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","7","3699","3715","10.1039/D0NJ04338A","","","0.71073","MoKα","","0.1085","0.0643","","","0.1959","0.2187","","","","","","1.063","","","","has coordinates","262697","2021-03-05","02:21:20",""
"7060297","37.6663","0.0007","37.6663","0.0007","12.7165","0.0003","90","","90","","120","","15624.4","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H35 N5 O13 Zn -","- C31 H35 N5 O13 Zn -","- C558 H630 N90 O234.001 Zn18 -","18","1","","Chetry, Sanjib; Sharma, Pranay; Frontera, Antonio; Saha, Utpal; Verma, Akalesh K.; Sarma, Bipul; Kalita, Paran Jyoti; Bhattacharyya, Manjit K.","Biologically relevant and energetically significant cooperative ternary (π‒π)2/(π‒π)1/(π‒π)2 assemblies and fascinating discrete (H2O)21 clusters in isostructural 2,5-pyridine dicarboxylato Co(ii) and Zn(ii) phenanthroline compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","7","3699","3715","10.1039/D0NJ04338A","","","0.71073","MoKα","","0.0994","0.0635","","","0.2068","0.2419","","","","","","0.898","","","","has coordinates","262697","2021-03-05","02:21:21",""
"7060298","8.5954","0.0005","14.4663","0.0008","18.048","0.001","90","","102.46","0.002","90","","2191.3","0.2","190.15","","190.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 Cl N3 O3 -","- C27 H16 Cl N3 O3 -","- C108 H64 Cl4 N12 O12 -","4","1","","Wang, Yuanyuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Synthesis of optically active 2-amino-1′-benzyl-2′,5-dioxo-5H-spiro[indeno[1,2-b]pyran-4,3′-indoline]-3-carbonitriles catalyzed by a bifunctional squaramide derived from quinine","New Journal of Chemistry","2021","45","5","2609","2613","10.1039/D0NJ06092E","","","0.71073","MoKα","","0.0576","0.0415","","","0.0917","0.1012","","","","","","1.049","","","","has coordinates","262679","2021-03-05","02:16:09",""
"7060299","11.3607","0.0007","17.4615","0.0011","10.4929","0.0007","90","","90","","90","","2081.5","0.2","150","","150","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H43 Eu N12 O9 -","- C40 H43 Eu N12 O9 -","- C80 H86 Eu2 N24 O18 -","2","0.5","","Bryleva, Yuliya A.; Ustimenko, Yuliya P.; Plyusnin, Victor F.; Mikheilis, Alexsandr V.; Shubin, Aleksandr A.; Glinskaya, Ludmila A.; Komarov, Vladislav Yu.; Agafontsev, Alexander M.; Tkachev, Alexey V.","Ln(iii) complexes with a chiral 1H-pyrazolo[3,4-b]pyridine derivative fused with a (−)-α-pinene moiety: synthesis, crystal structure, and photophysical studies in solution and in the solid state","New Journal of Chemistry","2021","45","4","2276","2284","10.1039/D0NJ05277A","","","0.71073","MoKα","","0.0496","0.0425","","","0.0793","0.0821","","","","","","1.06","","","","has coordinates,has disorder","261727","2021-02-04","23:25:41",""
"7060300","9.971","0.003","6.885","0.002","21.068","0.006","90","","102.329","0.005","90","","1413","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cu N6 O -","- C12 H18 Cu N6 O -","- C48 H72 Cu4 N24 O4 -","4","1","","Ghosh, Mrinmoy; Sepay, Nayim; Rizzoli, Corrado; Ghosh, Chandan Kumar; Banerjee, Abhijit; Saha, Sandip","Mononuclear copper(ii) Schiff base complex: synthesis, structure, electrical analysis and protein binding study","New Journal of Chemistry","2021","45","6","2995","3006","10.1039/D0NJ04610H","","","0.71073","MoKα","","0.118","0.0676","","","0.1464","0.1648","","","","","","1.012","","","","has coordinates","262694","2021-03-05","02:19:50",""
"7060301","5.8247","0.0002","27.5057","0.0008","14.9858","0.0005","90","","90.1504","0.0012","90","","2400.9","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N10 O6 -","- C24 H26 N10 O6 -","- C96 H104 N40 O24 -","4","1","","Nandi, Nishithendu Bikash; Purkayastha, Atanu; Roy, Shaktibrata; Kłak, Julia; Ganguly, Rakesh; Alkorta, Ibon; Misra, Tarun Kumar","Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property","New Journal of Chemistry","2021","45","5","2742","2753","10.1039/D0NJ05232A","","","0.71073","MoKα","","0.0638","0.0477","","","0.1086","0.1186","","","","","","1.038","","","","has coordinates","262685","2021-03-05","02:17:50",""
"7060302","13.266","0.0004","13.266","0.0004","28.9624","0.0012","90","","90","","90","","5097","0.3","143","2","143","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H48 Cu4 N20 O14 -","- C48 H48 Cu4 N20 O14 -","- C192 H192 Cu16 N80 O56 -","4","0.25","","Nandi, Nishithendu Bikash; Purkayastha, Atanu; Roy, Shaktibrata; Kłak, Julia; Ganguly, Rakesh; Alkorta, Ibon; Misra, Tarun Kumar","Tetranuclear copper(ii) cubane complexes derived from self-assembled 1,3-dimethyl-5-(o-phenolate-azo)-6-aminouracil: structures, non-covalent interactions and magnetic property","New Journal of Chemistry","2021","45","5","2742","2753","10.1039/D0NJ05232A","","","1.54178","CuKα","","0.0776","0.0544","","","0.136","0.1526","","","","","","1.065","","","","has coordinates,has disorder","262685","2021-03-05","02:17:50",""
"7060303","7.8313","0.0004","8.4529","0.0004","10.3855","0.0005","71.081","0.01","83.485","0.01","81.22","0.01","641.22","0.07","294","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H3 Cs N2 O4 -","- C3 H3 Cs N2 O4 -","- C12 H12 Cs4 N8 O16 -","4","2","","Isaia, Francesco; Garau, Alessandra; Castellano, Carlo; Demartin, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Lippolis, Vito; Pivetta, Tiziana","Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion) and the CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)","New Journal of Chemistry","2021","45","6","3263","3270","10.1039/D0NJ05601D","","","0.71073","MoKα","","0.0351","0.0299","","","0.0742","0.075","","","","","","0.959","","","","has coordinates","262688","2021-03-05","02:18:33",""
"7060304","10.5063","0.0012","10.5363","0.0012","13.6572","0.0016","98.125","0.002","103.986","0.002","111.539","0.002","1319.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cs3 N12 O15 -","- C12 H12 Cs3 N12 O15 -","- C24 H24 Cs6 N24 O30 -","2","1","","Isaia, Francesco; Garau, Alessandra; Castellano, Carlo; Demartin, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Lippolis, Vito; Pivetta, Tiziana","Stabilization of caesium ions by simple organic molecules: crystal structures of Cs(OXL) (OXL = oxalurate anion) and the CsOH/cyanuric acid co-crystal Cs3(CYH3)4(OH)3 (CYH3 = cyanuric acid)","New Journal of Chemistry","2021","45","6","3263","3270","10.1039/D0NJ05601D","","","0.71073","MoKα","","0.1147","0.0869","","","0.2471","0.267","","","","","","1.069","","","","has coordinates","262688","2021-03-05","02:18:34",""
"7060305","28.094","0.004","4.5817","0.0004","11.7941","0.0008","90","","90","","90","","1518.1","0.3","295","2","295","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C14 H12 Ag N O9 -","- C14 H12 Ag N O9 -","- C56 H48 Ag4 N4 O36 -","4","0.5","","Hayati, Payam; Mehrabadi, Zohreh; Karimi, Mehdi; Janczak, Jan; Mohammadi, Khosro; Mahmoudi, Ghodrat; Dadi, Fatemeh; Fard, Mohammad Jaafar Soltanian; Hasanzadeh, Amir; Rostamnia, Sadegh","Photocatalytic activity of new nanostructures of an Ag(i) metal‒organic framework (Ag-MOF) for the efficient degradation of MCPA and 2,4-D herbicides under sunlight irradiation","New Journal of Chemistry","2021","45","7","3408","3417","10.1039/D0NJ02460K","","","0.71073","MoKα","","0.0377","0.031","","","0.084","0.0878","","","","","","1.002","","","","has coordinates","262704","2021-03-05","02:22:17",""
"7060306","7.9991","0.0007","14.4267","0.0015","15.781","0.0016","90","","91.373","0.004","90","","1820.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 F7 N4 O8 S3 -","- C8 H9 F7 N4 O8 S3 -","- C32 H36 F28 N16 O32 S12 -","4","1","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.079","0.0544","","","0.1305","0.1405","","","","","","1.04","","","","has coordinates","262676","2021-03-05","02:15:47",""
"7060307","8.7261","0.0007","10.1432","0.001","10.1921","0.0011","86.557","0.004","88.953","0.004","80.564","0.003","888.26","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 F7 N3 O6 S3 -","- C9 H12 F7 N3 O6 S3 -","- C18 H24 F14 N6 O12 S6 -","2","1","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.045","0.0355","","","0.0955","0.1022","","","","","","1.025","","","","has coordinates,has disorder","262676","2021-03-05","02:15:47",""
"7060308","12.029","0.003","15.417","0.003","19.656","0.006","66.957","0.013","88.617","0.016","86.55","0.02","3348.3","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H9 F7 N2 O6 S3 -","- C9 H9 F7 N2 O6 S3 -","- C72 H72 F56 N16 O48 S24 -","8","4","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.0681","0.0431","","","0.0996","0.113","","","","","","1.022","","","","has coordinates","262676","2021-03-05","02:15:47",""
"7060309","9.8011","0.0003","11.0925","0.0003","18.3728","0.0006","90","","97.261","0.001","90","","1981.45","0.1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F11 N3 O6 S3 -","- C9.9988 H10 F10.997 N2.9994 O5.9988 S2.9994 -","- C39.9952 H40 F43.988 N11.9976 O23.9952 S11.9976 -","4","1","","Siegel, David J.; Anderson, Grace I.; Cyr, Noah; Lambrecht, Daniel S.; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan","Molecular design principles of ionic liquids with a sulfonyl fluoride moiety","New Journal of Chemistry","2021","45","5","2443","2452","10.1039/D0NJ05603K","","","0.71073","MoKα","","0.0633","0.049","","","0.1212","0.134","","","","","","1.095","","","","has coordinates,has disorder","262676","2021-03-05","02:15:47",""
"7060310","22.159","0.003","10.589","0.0016","16.176","0.002","90","","95.464","0.005","90","","3778.3","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H32 Cl2 In2 N4 O4 -","- C43 H32 Cl2 In2 N4 O4 -","- C172 H128 Cl8 In8 N16 O16 -","4","0.5","","Alexander, Orbett T.; Duvenhage, Mart M.; Kroon, Robin E.; Brink, Alice; Visser, Hendrik G.","Comparison of a dimeric and a monomeric indium-quinolinato complex: synthesis, structure and photoluminescence","New Journal of Chemistry","2021","45","4","2132","2140","10.1039/D0NJ03865B","","","0.71073","MoKα","","0.0266","0.021","","","0.0473","0.0498","","","","","","1.063","","","","has coordinates,has disorder","261728","2021-02-04","23:25:48",""
"7060311","13.77","0.002","5.0916","0.0004","22.201","0.002","90","","106.637","0.009","90","","1491.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N3 O3 S -","- C14 H18 N3 O3 S -","- C56 H72 N12 O12 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54184","CuKα","","0.047","0.043","","","0.1221","0.1294","","","","","","0.948","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060312","5.7508","0.0001","8.5166","0.0002","14.7464","0.0003","84.878","0.001","85.115","0.001","74.344","0.001","691.26","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 N3 O3 S -","- C13 H15 N3 O3 S -","- C26 H30 N6 O6 S2 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54178","CuKα","","0.0397","0.0374","","","0.1035","0.1058","","","","","","0.984","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060313","9.5188","0.0012","9.952","0.0012","11.8041","0.0015","97.589","0.004","113.069","0.004","93.795","0.004","1011.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N3 O8.5 S -","- C18 H21 N3 O8.5 S -","- C36 H42 N6 O17 S2 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","0.71073","MoKα","","0.0766","0.0618","","","0.136","0.142","","","","","","1.182","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060314","13.4199","0.0005","21.9195","0.001","13.5946","0.0006","90","","101.16","0.003","90","","3923.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O5 S -","- C19 H21 N3 O5 S -","- C152 H168 N24 O40 S8 -","8","2","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54178","CuKα","","0.0963","0.0746","","","0.1934","0.21","","","","","","0.961","","","","has coordinates,has disorder","262687","2021-03-05","02:18:25",""
"7060315","14.357","0.0019","4.8081","0.0005","20.166","0.003","90","","103.286","0.01","90","","1354.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N3 O3 S -","- C12 H14 N3 O3 S -","- C48 H56 N12 O12 S4 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vasilev, Nikita A.; Ilyukhin, Andrey B.; Perlovich, German L.","Novel cocrystals of the potent 1,2,4-thiadiazole-based neuroprotector with carboxylic acids: virtual screening, crystal structures and solubility performance","New Journal of Chemistry","2021","45","6","3034","3047","10.1039/D0NJ05644H","","","1.54178","CuKα","","0.1377","0.0848","","","0.1806","0.2075","","","","","","0.985","","","","has coordinates","262687","2021-03-05","02:18:25",""
"7060316","9.217","0.001","10.17","0.004","14.562","0.002","100.29","0.03","90.202","0.013","91.119","0.018","1342.8","0.6","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 Li N2 O3 -","- C28 H41 Li N2 O3 -","- C56 H82 Li2 N4 O6 -","2","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0919","0.0672","","","0.1529","0.1655","","","","","","1.136","","","","has coordinates,has disorder","262670","2021-03-05","02:14:22",""
"7060317","9.3724","0.0004","18.9533","0.0008","13.5059","0.0007","90","","96.63","0.002","90","","2383.12","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N2 O Zn -","- C24 H36 N2 O Zn -","- C96 H144 N8 O4 Zn4 -","4","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0391","0.035","","","0.0978","0.1014","","","","","","1.122","","","","has coordinates","262670","2021-03-05","02:14:23",""
"7060318","11.7931","0.0013","11.932","0.0006","16.349","0.0014","90","","116.701","0.008","90","","2055.2","0.3","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O Zn -","- C22 H30 N2 O Zn -","- C88 H120 N8 O4 Zn4 -","4","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0729","0.0392","","","0.0824","0.0973","","","","","","1.069","","","","has coordinates","262670","2021-03-05","02:14:23",""
"7060319","8.804","0.0004","15.768","0.001","16.052","0.0011","90","","93.774","0.006","90","","2223.5","0.2","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 Al N2 O -","- C23 H35 Al N2 O -","- C92 H140 Al4 N8 O4 -","4","1","","Novák, Miroslav; Jambor, Roman; Růžičková, Zdeňka; Podzimek, Štěpán","Unique reactivity of an α-ketiminopyridine ligand with metal‒alkyls: Synthesis and ROP of ε-caprolactone","New Journal of Chemistry","2021","45","8","3800","3808","10.1039/D0NJ05498D","","","0.71073","MoKα","","0.0732","0.0408","","","0.0863","0.1031","","","","","","1.077","","","","has coordinates","262670","2021-03-05","02:14:23",""
"7060320","14.6278","0.0017","13.3165","0.0015","14.9311","0.0017","90","","111.563","0.002","90","","2704.9","0.5","297","2","297","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 B N2 Sn -","- C31 H31 B N2 Sn -","- C124 H124 B4 N8 Sn4 -","4","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0416","0.0389","","","0.0904","0.0919","","","","","","1.037","","","","has coordinates","262671","2021-03-05","02:14:41",""
"7060321","9.844","0.002","18.861","0.004","14.068","0.003","90","","108.167","0.004","90","","2481.8","0.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H56 O4 Sn2 -","- C61 H56 O4 Sn2 -","- C122 H112 O8 Sn4 -","2","0.5","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0457","0.0385","","","0.0984","0.103","","","","","","1.095","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060322","16.9881","0.0006","15.2425","0.0005","7.7375","0.0002","90","","90","","90","","2003.56","0.11","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H18 O Sn -","- C25 H18 O Sn -","- C100 H72 O4 Sn4 -","4","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0301","0.0259","","","0.0551","0.057","","","","","","1.071","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060323","9.898","0.002","11.551","0.002","12.613","0.003","70.529","0.004","80.243","0.004","67.538","0.003","1255","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 Sn -","- C31 H26 N2 Sn -","- C62 H52 N4 Sn2 -","2","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0402","0.0324","","","0.0657","0.069","","","","","","1.026","","","","has coordinates","262671","2021-03-05","02:14:42",""
"7060324","10.0636","0.0015","11.6223","0.0017","14.212","0.002","96.462","0.002","97.444","0.002","113.734","0.002","1483.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 N O4 Sn -","- C35 H29 N O4 Sn -","- C70 H58 N2 O8 Sn2 -","2","1","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0271","0.0252","","","0.0614","0.0623","","","","","","1.087","","","","has coordinates","262671","2021-03-05","02:14:42",""
"7060325","8.2544","0.0007","17.3898","0.0014","18.3621","0.0016","90","","95.75","0.003","90","","2622.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H52 Cl2 N4 Pd Sn2 -","- C62 H52 Cl2 N4 Pd Sn2 -","- C124 H104 Cl4 N8 Pd2 Sn4 -","2","0.5","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0951","0.0477","","","0.1071","0.1335","","","","","","1.006","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060326","27.3118","0.0009","12.8432","0.0005","20.098","0.0007","90","","111.247","0.001","90","","6570.6","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H54 Cu F12 N4 O4 Sn2 -","- C72 H54 Cu F12 N4 O4 Sn2 -","- C288 H216 Cu4 F48 N16 O16 Sn8 -","4","0.5","","Someşan, Adrian-Alexandru; Silvestru, Cristian; Varga, Richard A.","Reactivity of a carbonyl moiety in organotin(iv) compounds: novel Pd(ii) and Cu(ii) complexes supported by organotin(iv) ligands","New Journal of Chemistry","2021","45","8","3817","3827","10.1039/D0NJ06016J","","","0.71073","MoKα","","0.0346","0.0298","","","0.0702","0.0735","","","","","","1.03","","","","has coordinates,has disorder","262671","2021-03-05","02:14:42",""
"7060327","12.197","0.0005","8.0942","0.0003","19.7477","0.0008","90","","90","","90","","1949.59","0.13","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H23 Cl O4 Ru -","- C21 H23 Cl O4 Ru -","- C84 H92 Cl4 O16 Ru4 -","4","1","","Usman, Mohammad; Husain, Fohad Mabood; Khan, Rais Ahmad; Alharbi, Walaa; Alsalme, Ali; Al-Lohedan, Hamad A.; Tabassum, Sartaj","Organometallic ruthenium (η6-p-cymene) complexes interfering with quorum sensing and biofilm formation: an anti-infective approach to combat multidrug-resistance in bacteria","New Journal of Chemistry","2021","45","4","2184","2199","10.1039/D0NJ05068G","","","0.71073","MoKα","","0.032","0.0266","","","0.0516","0.0557","","","","","","1.0462","","","","has coordinates","261731","2021-02-04","23:26:09",""
"7060328","10.2272","0.0002","12.2502","0.0002","17.0456","0.0003","81.444","0.002","85.958","0.002","87.659","0.002","2105.54","0.07","293","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Hg O4 P2 S4 -","- C40 H52 Hg O4 P2 S4 -","- C80 H104 Hg2 O8 P4 S8 -","2","1","","Kumar, Pretam; Banerjee, Snehasis; Radha, Anu; Firdoos, Tahira; Sahoo, Subash Chandra; Pandey, Sushil K.","Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation","New Journal of Chemistry","2021","45","4","2249","2263","10.1039/D0NJ05709F","","x-ray","0.71073","MoKα","","0.0423","0.0357","","","0.0762","0.0781","","","","","","1.075","","","","has coordinates","261733","2021-02-04","23:26:45",""
"7060329","14.6282","0.0004","11.2271","0.0002","22.4201","0.0007","90","","106.821","0.003","90","","3524.56","0.17","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Hg O4 P2 S4 -","- C32 H36 Hg O4 P2 S4 -","- C128 H144 Hg4 O16 P8 S16 -","4","1","","Kumar, Pretam; Banerjee, Snehasis; Radha, Anu; Firdoos, Tahira; Sahoo, Subash Chandra; Pandey, Sushil K.","Role of non-covalent interactions in the supramolecular architectures of mercury(ii) diphenyldithiophosphates: An experimental and theoretical investigation","New Journal of Chemistry","2021","45","4","2249","2263","10.1039/D0NJ05709F","","x-ray","0.71073","MoKα","","0.0706","0.0389","","","0.0645","0.0707","","","","","","1.047","","","","has coordinates","261733","2021-02-04","23:26:46",""
"7060330","9.8048","0.0009","32.731","0.003","13.187","0.0012","90","","105.474","0.0013","90","","4078.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 Co2 N4 Si2 -","- C38 H66 Co2 N4 Si2 -","- C152 H264 Co8 N16 Si8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0416","0.0356","","","0.082","0.0864","","","","","","1.105","","","","has coordinates","268869","2021-09-06","12:03:42",""
"7060331","10.113","0.004","12.44","0.005","19.847","0.008","87.763","0.005","82.709","0.005","83.674","0.005","2460.8","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Co F9 N2 -","- C26 H21 Co F9 N2 -","- C104 H84 Co4 F36 N8 -","4","2","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0432","0.0336","","","0.0853","0.0912","","","","","","1.021","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060332","14.43","","14.43","","34.979","0.004","90","","90","","90","","7283.5","0.8","100","2","100","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C19 H21 Co F4 N2 -","- C19 H21 Co F4 N2 -","- C304 H336 Co16 F64 N32 -","16","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0281","0.0271","","","0.0665","0.0675","","","","","","1.089","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060333","9.119","0.015","26.21","0.04","9.776","0.016","90","","100.734","0.018","90","","2296","6","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H21 Co F7 N2 -","- C21 H21 Co F7 N2 -","- C84 H84 Co4 F28 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0345","0.0329","","","0.0842","0.0856","","","","","","1.052","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060334","9.1832","0.0013","24.615","0.003","9.5495","0.0013","90","","116.222","0.0017","90","","1936.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Co F5 N2 -","- C20 H21 Co F5 N2 -","- C80 H84 Co4 F20 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0311","0.0281","","","0.0711","0.0727","","","","","","1.049","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060335","10.0164","0.0019","18.981","0.004","14.424","0.003","90","","106.075","0.003","90","","2635.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 Co F7 N2 -","- C26 H31 Co F7 N2 -","- C104 H124 Co4 F28 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0763","0.0614","","","0.1651","0.1805","","","","","","1.043","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060336","10.537","0.002","12.969","0.003","16.378","0.004","90","","90","","90","","2238.1","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Co F8 N2 -","- C24 H21 Co F8 N2 -","- C96 H84 Co4 F32 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0354","0.0317","","","0.0756","0.0798","","","","","","0.945","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060337","9.6744","0.0019","13.994","0.003","18.907","0.004","90","","102.29","0.03","90","","2501","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Co2 F6 N4 -","- C26 H26 Co2 F6 N4 -","- C104 H104 Co8 F24 N16 -","4","0.5","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0314","0.0279","","","0.0719","0.0742","","","","","","1.067","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060338","17.2939","0.0014","17.2939","0.0014","34.055","0.003","90","","90","","90","","10185.1","1.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H43 Co N2 Si -","- C24 H43 Co N2 Si -","- C384 H688 Co16 N32 Si16 -","16","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0401","0.0323","","","0.0815","0.0857","","","","","","1.072","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060339","10.152","0.014","10.299","0.014","11.324","0.015","88.611","0.016","80.883","0.018","81.458","0.016","1156","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 Co F5 N2 -","- C25 H31 Co F5 N2 -","- C50 H62 Co2 F10 N4 -","2","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0597","0.0448","","","0.1162","0.149","","","","","","1.109","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060340","16.153","0.005","18.523","0.005","12.963","0.003","90","","95.84","0.03","90","","3858.4","1.8","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H48 Co2 F6 N4 -","- C40 H48 Co2 F6 N4 -","- C160 H192 Co8 F24 N16 -","4","0.5","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0483","0.0359","","","0.0858","0.0959","","","","","","1.047","","","","has coordinates,has disorder","268869","2021-09-06","12:03:43",""
"7060341","6.672","0.002","6.9096","0.0018","6.992","0.002","73.521","0.012","89.005","0.003","75.832","0.005","299.22","0.15","100.15","","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","1","0.5","","Zhu, Jiaping; Xu, Jielai; Yao, Chaojian; Zhan, Tong; Liu, Weibing; Tan, Hua","A new 3D Ag(i)-based high-energy metal organic frameworks (HE-MOFs): synthesis, crystal structure and explosive performance","New Journal of Chemistry","2021","45","7","3552","3558","10.1039/D0NJ05744D","","","0.71073","MoKα","","0.055","0.0433","","","0.1002","0.1043","","","","","","1.133","","","","has coordinates","262703","2021-03-05","02:22:05",""
"7060342","8.9723","0.0014","5.0146","0.0008","14.813","0.002","90","","105.854","0.002","90","","641.12","0.17","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Ag N6 O3 -","- C2 H4 Ag N6 O3 -","- C8 H16 Ag4 N24 O12 -","4","1","","Zhu, Jiaping; Xu, Jielai; Yao, Chaojian; Zhan, Tong; Liu, Weibing; Tan, Hua","A new 3D Ag(i)-based high-energy metal organic frameworks (HE-MOFs): synthesis, crystal structure and explosive performance","New Journal of Chemistry","2021","45","7","3552","3558","10.1039/D0NJ05744D","","","0.71073","MoKα","","0.0233","0.0183","","","0.0402","0.0423","","","","","","1.077","","","","has coordinates","262703","2021-03-05","02:22:05",""
"7060343","7.9107","0.0016","12.229","0.002","30.953","0.006","90","","90","","90","","2994.4","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O7 Pd2 S2 -","- C31 H26 N2 O7 Pd2 S2 -","- C124 H104 N8 O28 Pd8 S8 -","4","1","","Loni, Masood; Balmohammadi, Yaser; Dadgar Yeganeh, Reza; Imani, Kaveh; Notash, Behrouz; Bazgir, Ayoob","A case study of Pd⋯Pd intramolecular interaction in a benzothiazole based palladacycle; catalytic activity toward amide synthesis via an isocyanide insertion pathway","New Journal of Chemistry","2021","45","6","3290","3297","10.1039/D0NJ06301K","","","0.71073","MoKα","","0.0897","0.0595","","","0.1257","0.1473","","","","","","0.96","","","","has coordinates","262693","2021-03-05","02:19:44",""
"7060344","10.6953","0.0002","10.0575","0.0002","11.252","0.0002","90","","113.454","0.001","90","","1110.36","0.04","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H12 O6 -","- C14 H12 O6 -","- C56 H48 O24 -","4","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.0316","0.0295","","","0.0739","0.0752","","","","","","1.039","","","","has coordinates","262696","2021-03-05","02:20:53",""
"7060345","32.91","0.004","5.5297","0.0007","26.685","0.004","90","","106.912","0.003","90","","4646.2","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.1329","0.0628","","","0.1332","0.1667","","","","","","1","","","","has coordinates","262696","2021-03-05","02:20:56",""
"7060346","8.5916","0.0003","18.4981","0.0005","13.3949","0.0004","90","","90.676","0.001","90","","2128.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N2 O6 -","- C25 H26 N2 O6 -","- C100 H104 N8 O24 -","4","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.08","0.0489","","","0.1142","0.1335","","","","","","1.014","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060347","16.625","0.003","7.2251","0.0014","10.625","0.002","90","","92.13","0.03","90","","1275.4","0.4","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C60 H60 N4 O20 -","4","2","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.9699","synchrotron","","0.1283","0.1082","","","0.2459","0.2632","","","","","","1.026","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060348","9.8725","0.0002","16.5515","0.0003","29.9337","0.0006","90","","90","","90","","4891.31","0.17","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C216 H176 N16 O40 -","8","1","","Kvyatkovskaya, Elizaveta A.; Epifanova, Polina P.; Nikitina, Eugeniya V.; Senin, Aleksey A.; Khrustalev, Victor N.; Polyanskii, Kirill B.; Zubkov, Fedor I.","Synthesis and ethylene-promoted metathesis of adducts of tandem [4+2]/[4+2] cycloaddition between bis-furyl dienes and maleic acid derivatives","New Journal of Chemistry","2021","45","7","3400","3407","10.1039/D0NJ04528D","","","0.71073","MoKα","","0.059","0.0433","","","0.1093","0.1206","","","","","","1.024","","","","has coordinates","262696","2021-03-05","02:21:06",""
"7060349","28.8227","0.0002","7.06822","0.00005","29.0394","0.0002","90","","107.441","0.0008","90","","5644.06","0.07","117.6","0.2","117.6","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H17 Br Cl F5 N2 Pt -","- C32 H17 Br Cl F5 N2 Pt -","- C256 H136 Br8 Cl8 F40 N16 Pt8 -","8","2","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","1.54184","CuKα","","0.0337","0.0322","","","0.0795","0.0804","","","","","","1.142","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060350","8.2027","0.0004","10.2109","0.0005","10.6109","0.0005","113.843","0.005","96.348","0.004","106.099","0.004","755.53","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 Pt -","- C18 H13 Cl N2 Pt -","- C36 H26 Cl2 N4 Pt2 -","2","1","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","0.71073","MoKα","","0.0389","0.029","","","0.0629","0.0651","","","","","","0.998","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060351","18.4477","0.0004","7.2402","0.0001","17.3327","0.0003","90","","102.326","0.002","90","","2261.68","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Cl F5 I N2 Pt -","- C24 H13 Cl F5 I N2 Pt -","- C96 H52 Cl4 F20 I4 N8 Pt4 -","4","1","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","","0.71073","MoKα","","0.0308","0.0269","","","0.0606","0.062","","","","","","1.09","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060352","6.8603","0.0002","15.4638","0.0005","21.8179","0.0006","90","","90.911","0.002","90","","2314.29","0.12","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 Br2 Cl F4 N2 Pt -","- C24 H13 Br2 Cl F4 N2 Pt -","- C96 H52 Br8 Cl4 F16 N8 Pt4 -","4","1","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","","0.71073","MoKα","","0.0381","0.0316","","","0.0623","0.0649","","","","","","1.13","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060353","10.2106","0.0004","10.6023","0.0004","16.3217","0.0005","106.586","0.003","94.844","0.003","113.816","0.004","1508.48","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Cl N2 Pt -","- C18 H13 Cl N2 Pt -","- C72 H52 Cl4 N8 Pt4 -","4","2","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","0.71073","MoKα","","0.0328","0.0238","","","0.0497","0.0505","","","","","","0.98","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060354","23.4886","0.0003","7.161","0.0001","34.3172","0.0004","90","","90.551","0.001","90","","5771.95","0.13","122","0.9","122","0.9","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H17 Br2 Cl F4 N2 Pt -","- C32 H17 Br2 Cl F4 N2 Pt -","- C256 H136 Br16 Cl8 F32 N16 Pt8 -","8","2","","Katkova, Svetlana A.; Luzyanin, Konstantin V.; Novikov, Alexander S.; Kinzhalov, Mikhail A.","Modulation of luminescence properties for [cyclometalated]-PtII(isocyanide) complexes upon co-crystallisation with halosubstituted perfluorinated arenes","New Journal of Chemistry","2021","45","6","2948","2952","10.1039/D0NJ05457G","","x-ray","1.54184","CuKα","","0.0444","0.0413","","","0.1118","0.1141","","","","","","1.081","","","","has coordinates","262689","2021-03-05","02:18:45",""
"7060355","8.5905","0.0002","7.5936","0.0002","9.3872","0.0002","90","","93.398","0.001","90","","611.28","0.03","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 Gd O10 Zn -","- B5 Gd O10 Zn -","- B20 Gd4 O40 Zn4 -","4","1","","Ma, Qin; Tong, Tinghao; Su, Zhi","Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges","New Journal of Chemistry","2021","45","10","4823","4827","10.1039/D0NJ05763K","","","0.71073","MoKα","","0.0124","0.0121","","","0.03","0.0301","","","","","","1.136","","","","has coordinates","263805","2021-04-05","15:09:18",""
"7060356","8.518","0.0003","7.5935","0.0002","9.3523","0.0003","90","","93.755","0.001","90","","603.62","0.03","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B5 O10 Y Zn -","- B5 O10 Y Zn -","- B20 O40 Y4 Zn4 -","4","1","","Ma, Qin; Tong, Tinghao; Su, Zhi","Synthesis, crystal structure and theoretical calculations of two rare-earth borates with DUV cut-off edges","New Journal of Chemistry","2021","45","10","4823","4827","10.1039/D0NJ05763K","","","0.71073","MoKα","","0.0272","0.0211","","","0.0429","0.0446","","","","","","1.048","","","","has coordinates","263805","2021-04-05","15:09:18",""
"7060357","22.256","0.005","20.132","0.005","17.579","0.005","90","","107.037","0.005","90","","7531","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Mn2 N30 O44 Si W12 -","- C36 H38 Mn2 N30 O44 Si W12 -","- C144 H152 Mn8 N120 O176 Si4 W48 -","4","0.5","","Yang, Ruoru; Li, Bonan; Lai, Xiaoyong; Yu, Xiaojing; Xiao, Boxin; Hu, Sumin; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","An irregular-octagonal-prism-shaped host‒guest supramolecular network based on silicotungstate and manganese-complex for light-driven hydrogen evolution","New Journal of Chemistry","2021","45","8","3954","3959","10.1039/D0NJ05245K","","","0.71069","MoKα","","0.1082","0.0556","","","0.1076","0.1233","","","","","","1.095","","","","has coordinates","262674","2021-03-05","02:15:16",""
"7060358","8.831","0.0005","9.6737","0.0005","12.2527","0.0006","99.502","0.002","95.461","0.002","91.567","0.002","1026.69","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H22 Fe N O2 P S -","- C23 H22 Fe N O2 P S -","- C46 H44 Fe2 N2 O4 P2 S2 -","2","1","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0289","0.0249","","","0.0615","0.0634","","","","","","1.066","","","","has coordinates","262695","2021-03-05","02:20:10",""
"7060359","8.8684","0.0008","11.2935","0.001","12.1215","0.0011","101.103","0.002","93.464","0.002","105.757","0.002","1138.35","0.18","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2 -","- C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2 -","- C46 H44 Cl2 Fe2 N2 O4 P2 Pd S2 -","1","0.5","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","1.54178","CuKα","","0.0408","0.0384","","","0.1008","0.1035","","","","","","1.077","","","","has coordinates","262695","2021-03-05","02:20:13",""
"7060360","13.4617","0.0005","13.7207","0.0005","15.3668","0.0007","90","","94.062","0.001","90","","2831.2","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Fe N2 O2 P Pd S -","- C32 H33 Fe N2 O2 P Pd S -","- C128 H132 Fe4 N8 O8 P4 Pd4 S4 -","4","1","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0231","0.0199","","","0.0496","0.0512","","","","","","1.043","","","","has coordinates","262695","2021-03-05","02:20:20",""
"7060361","10.652","0.0005","16.9584","0.0008","20.2403","0.0009","109.208","0.001","101.163","0.002","100.816","0.002","3260.3","0.3","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C32.5 H34.5 Cl2.5 Fe N2 O2 P Pd S -","- C32.5 H34.5 Cl2.5 Fe N2 O2 P Pd S -","- C130 H138 Cl10 Fe4 N8 O8 P4 Pd4 S4 -","4","2","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0309","0.0267","","","0.0612","0.0637","","","","","","1.08","","","","has coordinates,has disorder","262695","2021-03-05","02:20:23",""
"7060362","18.5588","0.0009","9.0762","0.0004","51.788","0.003","90","","90","","90","","8723.3","0.8","120","2","120","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C23 H25 B Fe N O2 P S -","- C23 H25 B Fe N O2 P S -","- C368 H400 B16 Fe16 N16 O32 P16 S16 -","16","4","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","1.54178","CuKα","","0.0345","0.0319","","","0.0786","0.0798","","","","","","1.04","","","","has coordinates","262695","2021-03-05","02:20:32",""
"7060363","10.8367","0.0006","11.5827","0.0007","11.5985","0.0007","84.816","0.002","75.91","0.002","79.007","0.002","1384.64","0.14","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H46 Cl10 Fe2 N2 O4 P2 Pd2 S2 -","- C48 H46 Cl10 Fe2 N2 O4 P2 Pd2 S2 -","- C48 H46 Cl10 Fe2 N2 O4 P2 Pd2 S2 -","1","0.5","","Varmužová, Věra; Horký, Filip; Štěpnička, Petr","Synthesis and coordination of a hybrid phosphinoferrocene sulfonamide ligand","New Journal of Chemistry","2021","45","6","3319","3327","10.1039/D1NJ00080B","","","0.71073","MoKα","","0.0303","0.0249","","","0.0548","0.0573","","","","","","1.085","","","","has coordinates","262695","2021-03-05","02:20:34",""
"7060364","9.9796","0.0007","14.2509","0.0014","17.1337","0.0017","111.363","0.004","93.366","0.002","94.829","0.002","2250.7","0.4","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42.25 H35.5 Cl7.5 N2 Pd -","- C42.25 H35.5 Cl7.5 N2 Pd -","- C84.5 H71 Cl15 N4 Pd2 -","2","1","","Li, Shuaikang; Lu, Zhou; Fan, Weigang; Dai, Shengyu","Efficient incorporation of a polar comonomer for direct synthesis of hyperbranched polar functional ethylene oligomers","New Journal of Chemistry","2021","45","8","4024","4031","10.1039/D0NJ05857B","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","262673","2021-03-05","02:15:01",""
"7060365","5.6448","0.0001","35.341","0.0009","10.9173","0.0003","90","","91.355","0.001","90","","2177.31","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O6 S -","- C22 H28 N2 O6 S -","- C88 H112 N8 O24 S4 -","4","1","","Jin, Wen Bin; Xu, Chen; Qi, Xiao Lin; Zeng, Ping; Gao, Wei; Lai, Ki Hon; Chiou, Jiachi; Chan, Edward W. C.; Leung, Yun-Chung; Chan, Tak Hang; Wong, Kwok-Yin; Chen, Sheng; Chan, Kin-Fai","Synthesis of 1,3,4-trisubstituted pyrrolidines as meropenem adjuvants targeting New Delhi metallo-β-lactamase","New Journal of Chemistry","2021","45","7","3515","3534","10.1039/D0NJ06090A","","","0.71073","MoKα","","0.1023","0.0839","","","0.1814","0.1926","","","","","","1.001","","","","has coordinates","262700","2021-03-05","02:21:45",""
"7060366","11.6678","0.0017","8.0747","0.0012","17.753","0.003","90","","93.372","0.004","90","","1669.7","0.4","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 Cl N3 O2 Pd0.5 S -","- C14 H19 Cl N3 O2 Pd0.5 S -","- C56 H76 Cl4 N12 O8 Pd2 S4 -","4","1","","Amoah, Cephas; Obuah, Collins; Ainooson, Michael Kojo; Adokoh, Christian Kwaku; Muller, Alfred","Synthesis, characterization and antibacterial applications of pyrazolyl-sulfonamides and their palladium complexes","New Journal of Chemistry","2021","45","7","3716","3726","10.1039/D0NJ05143H","","","0.71073","MoKα","","0.0917","0.0507","","","0.1121","0.1276","","","","","","1.035","","","","has coordinates","262702","2021-03-05","02:21:58",""
"7060367","5.981","0.0004","13.5851","0.0009","13.8198","0.001","96.481","0.001","97.403","0.001","90.36","0.001","1106.17","0.13","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 Co2 Cr Mo6 N12 O30 -","- C20 H33 Co2 Cr Mo6 N12 O30 -","- C20 H33 Co2 Cr Mo6 N12 O30 -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","x-ray","0.71073","MoKα","K-L~3~","0.0344","0.0264","","","0.0591","0.062","","","","","","1.041","","","","has coordinates,has disorder","262690","2021-03-05","02:18:57",""
"7060368","7.5943","0.0008","12.1489","0.0012","13.6939","0.0014","84.043","0.002","86.335","0.002","82.999","0.002","1245.6","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H37 Co3 Mo6 N12 O34.5 Te -","- C20 H37 Co3 Mo6 N12 O34.5 Te -","- C20 H37 Co3 Mo6 N12 O34.5 Te -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","","0.71073","MoKα","","0.0268","0.0237","","","0.0667","0.0691","","","","","","1.077","","","","has coordinates,has disorder","262690","2021-03-05","02:19:02",""
"7060369","5.9669","0.0003","13.5608","0.0006","13.7319","0.0007","96.906","0.001","96.985","0.001","90.576","0.001","1094.54","0.09","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 Al Mo6 N12 Ni2 O30 -","- C20 H33 Al Mo6 N12 Ni2 O30 -","- C20 H33 Al Mo6 N12 Ni2 O30 -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","","0.71073","MoKα","","0.0466","0.0318","","","0.0625","0.0681","","","","","","1.009","","","","has coordinates","262690","2021-03-05","02:19:12",""
"7060370","7.5676","0.0007","12.1161","0.0011","13.6402","0.0012","84.225","0.001","86.487","0.002","83.139","0.002","1233.87","0.19","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H36 Mo6 N12 Ni3 O34 Te -","- C20 H36 Mo6 N12 Ni3 O34 Te -","- C20 H36 Mo6 N12 Ni3 O34 Te -","1","0.5","","Zhang, Jing-Yuan; Chang, Zhi-Han; Wang, Xiu-Li; Wang, Xiang; Lin, Hong-Yan","Different Anderson-type polyoxometalate-based metal‒organic complexes exhibiting ‒OH group-directed structures and electrochemical sensing performance","New Journal of Chemistry","2021","45","6","3328","3334","10.1039/D0NJ05517D","","x-ray","0.71073","MoKα","K-L~3~","0.0393","0.031","","","0.0986","0.1097","","","","","","0.822","","","","has coordinates","262690","2021-03-05","02:19:15",""
"7060371","11.2663","0.0005","12.7935","0.0005","11.303","0.0005","90","","98.129","0.004","90","","1612.79","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl0 N O6 S -","- C18 H15 N O6 S -","- C72 H60 N4 O24 S4 -","4","1","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.0734","0.0614","","","0.156","0.1765","","","","","","1.065","","","","has coordinates","263806","2021-04-05","15:09:27",""
"7060372","16.8841","0.0006","13.127","0.0004","18.262","0.002","90","","90","","90","","4047.5","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N2 O7 S -","- C20 H22 N2 O7 S -","- C160 H176 N16 O56 S8 -","8","1","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.1371","0.1056","","","0.2883","0.3522","","","","","","1.191","","","","has coordinates","263806","2021-04-05","15:09:28",""
"7060373","13.9044","0.001","14.377","0.0012","23.532","0.002","90","","91.946","0.003","90","","4701.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 N4 O20 S2 -","- C43 H60 N4 O20 S2 -","- C172 H240 N16 O80 S8 -","4","0.5","","Ganie, Arshid A.; Ismail, Thufail M.; Sajith, P. K.; Dar, Aijaz A.","Validation of the supramolecular synthon preference through DFT and physicochemical property investigations of pyridyl salts of organo-sulfonates","New Journal of Chemistry","2021","45","10","4780","4790","10.1039/D0NJ05485B","","","0.71073","MoKα","","0.0535","0.0409","","","0.0998","0.108","","","","","","1.017","","","","has coordinates","263806","2021-04-05","15:09:28",""
"7060374","9.7998","0.0002","10.5057","0.0002","16.7575","0.0003","106.986","0.001","91.93","0.001","114.973","0.001","1470.99","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Fe2 O5 P S2 Sn -","- C27 H25 Fe2 O5 P S2 Sn -","- C54 H50 Fe4 O10 P2 S4 Sn2 -","2","1","","Abul-Futouh, Hassan; Almazahreh, Laith R.; Abaalkhail, Sara J.; Görls, Helmar; Stripp, Sven T.; Weigand, Wolfgang","Ligand effects on structural, protophilic and reductive features of stannylated dinuclear iron dithiolato complexes","New Journal of Chemistry","2021","45","1","36","44","10.1039/D0NJ04790B","","","0.71073","MoKα","","0.0254","0.0235","","","0.0517","0.0533","","","","","","1.07","","","","has coordinates","261511","2021-02-04","17:21:32",""
"7060375","9.6675","0.0003","10.2531","0.0003","12.5768","0.0003","102.077","0.001","103.608","0.001","109.654","0.001","1082.95","0.05","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H19 Fe2 O8 P S2 Sn -","- C12 H19 Fe2 O8 P S2 Sn -","- C24 H38 Fe4 O16 P2 S4 Sn2 -","2","1","","Abul-Futouh, Hassan; Almazahreh, Laith R.; Abaalkhail, Sara J.; Görls, Helmar; Stripp, Sven T.; Weigand, Wolfgang","Ligand effects on structural, protophilic and reductive features of stannylated dinuclear iron dithiolato complexes","New Journal of Chemistry","2021","45","1","36","44","10.1039/D0NJ04790B","","","0.71073","MoKα","","0.0211","0.02","","","0.0467","0.0474","","","","","","1.099","","","","has coordinates","261511","2021-02-04","17:21:33",""
"7060376","8.7769","0.001","9.1976","0.0012","10.1697","0.0012","74.462","0.005","81.905","0.005","69.13","0.005","738.13","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(2,5-dimethyl-11,12-dihydro-5H-5,11-epoxybenzo[7,8]oxocino[4,3-b]pyridin-3-yl)ethan-1-one","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Kulakov, Ivan V.; Stalinskaya, Alena L.; Chikunov, Semyon Y.; Gatilov, Yuri V.","Synthesis of new representatives of 11,12-dihydro-5H-5,11-epoxybenzo[7,8]oxocino[4,3-b]pyridines ‒ structural analogues of integrastatins A, B","New Journal of Chemistry","2021","45","7","3559","3569","10.1039/D0NJ06117D","","","0.71073","MoKα","","0.0509","0.0441","","","0.1212","0.1304","","","","","","0.937","","","","has coordinates","262699","2021-03-05","02:21:38",""
"7060377","8.6753","0.0005","12.6601","0.0007","13.8621","0.0007","64.282","0.002","76.253","0.002","84.09","0.002","1332.37","0.13","178","2","177.79","","","","","","","","","5","P -1","-P 1","2","PBIA-Tm1D","catena Thulium (III) - (2,2'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)dipropionate)-2-dimethylformamide solvate-1-NO3 solvate","","- C22 H24 N5 O13 Tm -","- C22 H24 N5 O13 Tm -","- C44 H48 N10 O26 Tm2 -","2","1","","González Chávez, Fernando; Beltrán, Hiram Isaac","Tuning dimensionality between 2D and 1D MOFs by lanthanide contraction and ligand-to-metal ratio","New Journal of Chemistry","2021","45","15","6600","6610","10.1039/D0NJ04055J","","","0.71073","MoKα","","0.0571","0.0351","","","0.0661","0.0724","","","","","","1.085","","","","has coordinates,has disorder","264935","2021-05-05","08:58:01",""
"7060378","14.6257","0.0009","14.7988","0.001","15.0858","0.001","90","","101.281","0.004","90","","3202.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","JK77C - Naphthyl-SO2-NH-C6H3(2-Me)(4-COOH)","","","- C18 H15 N O4 S -","- C18 H15 N O4 S -","- C144 H120 N8 O32 S8 -","8","1","","Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.","Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes","New Journal of Chemistry","2021","45","10","4791","4801","10.1039/D0NJ06320G","","","0.71073","MoKα","","0.0358","0.03","","","0.0792","0.0833","","","","","","1.061","","","","has coordinates","263803","2021-04-05","15:09:04",""
"7060379","8.923","0.002","9.1409","0.0008","17.8901","0.0014","90","","97.508","0.01","90","","1446.7","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N O2 S -","- C16 H12 Cl N O2 S -","- C64 H48 Cl4 N4 O8 S4 -","4","1","","Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.","Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes","New Journal of Chemistry","2021","45","10","4791","4801","10.1039/D0NJ06320G","","x-ray","0.71073","MoKα","","0.0483","0.0343","","","0.096","0.1034","","","","","","1.038","","","","has coordinates","263803","2021-04-05","15:09:04",""
"7060380","7.9204","0.0005","8.7629","0.0006","11.5108","0.0007","93.616","0.004","92.555","0.004","103.286","0.004","774.55","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CGH7-05A 1-naphthyl-SO3-C6H3(2-Me)(4-COOH) CH7-04 from Acetone/Hexanes","","","- C18 H14 O5 S -","- C18 H14 O5 S -","- C36 H28 O10 S2 -","2","1","","Li, Edward W.; Katinas, Jade; Jones, Marjorie A.; Hamaker, Christopher G.","Structural characterization of naphthalene sulfonamides and a sulfonate ester and their in vitro efficacy against Leishmania tarentolae promastigotes","New Journal of Chemistry","2021","45","10","4791","4801","10.1039/D0NJ06320G","","","0.71073","MoKα","","0.0473","0.0378","","","0.0972","0.1028","","","","","","1.045","","","","has coordinates","263803","2021-04-05","15:09:04",""
"7060381","15.6841","0.0004","13.1101","0.0003","20.4047","0.0005","90","","106.066","0.001","90","","4031.75","0.17","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","spiroquinoline","'7-(1H-pyrrol-1-yl)spiro[chromeno[4,3-b]quinoline-6,1'-cycloheptane]'","","- C26 H24 N2 O -","- C26 H24 N2 O -","- C208 H192 N16 O8 -","8","1","","Silva, Letícia B.; Stefanello, Felipe S.; Feitosa, Sarah C.; Frizzo, Clarissa P.; Martins, Marcos A. P.; Zanatta, Nilo; Iglesias, Bernardo A.; Bonacorso, Helio G.","Novel 7-(1H-pyrrol-1-yl)spiro[chromeno[4,3-b]quinoline-6,1′-cycloalkanes]: synthesis, cross-coupling reactions, and photophysical properties","New Journal of Chemistry","2021","45","8","4061","4070","10.1039/D0NJ05740A","","","1.54178","CuKα","","0.0641","0.0533","","","0.1496","0.1592","","","","","","1.048","","","","has coordinates","262672","2021-03-05","02:14:54",""
"7060382","10.36","0.002","10.778","0.003","13.244","0.003","107.886","0.003","110.763","0.003","97.176","0.003","1269.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Br4 Cl4 Fe2 N2 P2 -","- C52 H40 Br4 Cl4 Fe2 N2 P2 -","- C52 H40 Br4 Cl4 Fe2 N2 P2 -","1","0.5","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1568","0.061","","","0.1255","0.1657","","","","","","0.899","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060383","8.815","0.0002","9.4545","0.0003","13.5012","0.0004","89.492","0.001","89.667","0.001","64.949","0.001","1019.32","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Br2 Fe N P -","- C20 H24 Br2 Fe N P -","- C40 H48 Br4 Fe2 N2 P2 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0802","0.0388","","","0.0771","0.0962","","","","","","1.052","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060384","9.8976","0.0002","10.5112","0.0002","11.5804","0.0003","81.768","0.001","86.725","0.001","77.768","0.001","1164.84","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Br2 Fe N P -","- C26 H20 Br2 Fe N P -","- C52 H40 Br4 Fe2 N2 P2 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0537","0.0338","","","0.0636","0.0695","","","","","","1.035","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060385","13.9917","0.0008","13.9917","0.0008","18.8197","0.0012","90","","90","","120","","3190.7","0.3","150","","150","","","","","","","","","6","P -3","-P 3","147","","","","- C66 H54 F9 N3 P4.5 Ru -","- C66 H54 F9 N3 P4.5 Ru -","- C132 H108 F18 N6 P9 Ru2 -","2","0.333333","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0961","0.0817","","","0.1904","0.2008","","","","","","1.062","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060386","15.2667","0.0014","15.9297","0.0014","40.09","0.004","90","","99.585","0.003","90","","9613.5","1.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H94 B2 Fe N3 P3 -","- C114 H94 B2 Fe N3 P3 -","- C456 H376 B8 Fe4 N12 P12 -","4","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1365","0.1147","","","0.2579","0.2693","","","","","","1.19","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060387","13.8277","0.0006","14.1535","0.0007","21.431","0.001","71.268","0.002","78.496","0.002","76.944","0.002","3832.6","0.3","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 F12 N3 P5 Ru -","- C78 H60 F12 N3 P5 Ru -","- C156 H120 F24 N6 P10 Ru2 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1056","0.077","","","0.2125","0.2327","","","","","","1.044","","","","has coordinates,has disorder","263807","2021-04-05","15:10:17",""
"7060388","13.9092","0.0014","14.2075","0.0014","21.287","0.002","72.199","0.005","78.434","0.005","75.908","0.005","3848.3","0.7","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H60 F12 Fe N3 P5 -","- C78 H60 F12 Fe N3 P5 -","- C156 H120 F24 Fe2 N6 P10 -","2","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.1153","0.1005","","","0.2202","0.2293","","","","","","1.132","","","","has coordinates,has disorder","263807","2021-04-05","15:10:17",""
"7060389","33.4946","0.0015","14.0731","0.0007","23.4674","0.0011","90","","90","","90","","11061.9","0.9","150","2","150","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C53.19 H42.37 Cl4.37 N2 P2 Ru -","- C53.1863 H42.3726 Cl4.3726 N2 P2 Ru -","- C425.49 H338.981 Cl34.9808 N16 P16 Ru8 -","8","1","","Mondal, Rajarshi; Braun, Jason D.; Lozada, Issiah B.; Nickel, Rachel; van Lierop, Johan; Herbert, David E.","Group VIII coordination complexes of bidentate P^N ligands bearing π-extended quinoline or phenanthridine N-heterocycles","New Journal of Chemistry","2021","45","9","4427","4436","10.1039/D1NJ00254F","","","0.71073","MoKα","","0.0755","0.0485","","","0.1166","0.1294","","","","","","1.085","","","","has coordinates","263807","2021-04-05","15:10:17",""
"7060390","11.9249","0.0004","13.2626","0.0004","13.5191","0.0004","109.108","0.003","95.685","0.003","113.173","0.003","1792.27","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cu2 N6 O16 V2 -","- C28 H36 Cu2 N6 O16 V2 -","- C56 H72 Cu4 N12 O32 V4 -","2","1","","Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes","New Journal of Chemistry","2021","45","11","5081","5092","10.1039/D0NJ06004F","","x-ray","1.54184","CuKα","","0.0462","0.0372","","","0.0852","0.0913","","","","","","1.054","","","","has coordinates,has disorder","263812","2021-04-05","15:12:02",""
"7060391","8.9373","0.0003","11.4902","0.0004","12.958","0.0004","70.47","0.003","73.209","0.003","80.836","0.003","1197.75","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H52 Cu2 N8 O22 V4 -","- C34 H52 Cu2 N8 O22 V4 -","- C34 H52 Cu2 N8 O22 V4 -","1","0.5","","Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes","New Journal of Chemistry","2021","45","11","5081","5092","10.1039/D0NJ06004F","","","0.71073","MoKα","","0.0726","0.0586","","","0.1502","0.1582","","","","","","1.107","","","","has coordinates,has disorder","263812","2021-04-05","15:12:02",""
"7060392","11.9013","0.0003","12.1828","0.0002","18.226","0.0003","98.0718","0.0016","108.631","0.0019","92.8695","0.0018","2466.59","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H58 Cu2 N8 O23 V4 -","- C32 H58 Cu2 N8 O23 V4 -","- C64 H116 Cu4 N16 O46 V8 -","2","1","","Sánchez-Lara, Eduardo; García-García, Amalia; González-Vergara, Enrique; Cepeda, Javier; Rodríguez-Diéguez, Antonio","Magneto-structural correlations of cyclo-tetravanadates functionalized with mixed-ligand copper(ii) complexes","New Journal of Chemistry","2021","45","11","5081","5092","10.1039/D0NJ06004F","","x-ray","0.71073","MoKα","","0.0677","0.0609","","","0.144","0.1488","","","","","","1.13","","","","has coordinates,has disorder","288248","2023-12-12","12:55:28",""
"7060393","13.0867","0.0011","13.5562","0.0013","20.724","0.002","87.641","0.005","83.468","0.005","61.366","0.004","3205.6","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C75.5 H67 N11 -","- C75.5 H67 N11 -","- C151 H134 N22 -","2","1","","Gajula, Ramesh Kumar; Mohanty, Subhrajit; Chakraborty, Manjari; Sarkar, Moloy; Prakash, M. Jaya","An imine linked fluorescent covalent organic cage: the sensing of chloroform vapour and metal ions, and the detection of nitroaromatics","New Journal of Chemistry","2021","45","10","4810","4822","10.1039/D1NJ00434D","","","0.71073","MoKα","","0.1665","0.0765","","","0.1685","0.207","","","","","","1.018","","","","has coordinates,has disorder","263804","2021-04-05","15:09:12",""
"7060394","9.6468","0.0007","15.0615","0.0012","22.4916","0.0015","90","","99.82","0.002","90","","3220","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 F N3 O2 -","- C40 H32 F N3 O2 -","- C160 H128 F4 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.114","0.0582","","","0.1249","0.1474","","","","","","1.015","","","","has coordinates","263810","2021-04-05","15:11:25",""
"7060395","9.215","0.0006","13.2112","0.0008","13.7823","0.0009","113.734","0.0018","105.575","0.0019","95.9208","0.0019","1436.49","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C72 H66 N6 O4 -","2","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.101","0.0531","","","0.1153","0.1346","","","","","","1.019","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060396","11.7931","0.0006","14.9063","0.0007","16.3539","0.0009","90","","90","","90","","2874.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C144 H132 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.0927","0.0578","","","0.1307","0.149","","","","","","1.016","","","","has coordinates,has disorder","263810","2021-04-05","15:11:32",""
"7060397","9.7417","0.0009","13.6679","0.0013","14.8331","0.0014","108.461","0.003","108.554","0.003","98.943","0.003","1702.4","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N3 O3 -","- C37 H35 N3 O3 -","- C74 H70 N6 O6 -","2","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1372","0.0678","","","0.1564","0.1835","","","","","","1.023","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060398","10.1127","0.0007","19.0109","0.0013","21.7708","0.0013","90","","103.43","0.002","90","","4071","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N4 O3 -","- C48 H50 N4 O3 -","- C192 H200 N16 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.2339","0.0646","","","0.0979","0.1323","","","","","","0.898","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060399","9.596","0.001","15.5753","0.0015","22.487","0.002","90","","98.734","0.004","90","","3321.9","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cl N3 O3 -","- C40 H32 Cl N3 O3 -","- C160 H128 Cl4 N12 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1026","0.0519","","","0.1073","0.1285","","","","","","1.007","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060400","10.6264","0.0009","14.8156","0.0015","19.576","0.0019","90","","99.66","0.003","90","","3038.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F N3 O3 -","- C38 H30 F N3 O3 -","- C152 H120 F4 N12 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1664","0.0729","","","0.1457","0.183","","","","","","1.012","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060401","11.8274","0.0011","18.9122","0.0016","20.32","0.002","90","","104.266","0.003","90","","4405.1","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N4 O3 -","- C48 H50 N4 O3 -","- C192 H200 N16 O12 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1839","0.071","","","0.1673","0.2195","","","","","","1.011","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060402","10.2691","0.0011","18.703","0.002","21.629","0.003","90","","101.808","0.004","90","","4066.2","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N4 O4 -","- C48 H50 N4 O4 -","- C192 H200 N16 O16 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.1704","0.0604","","","0.1028","0.1326","","","","","","1.01","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060403","14.062","0.003","15.079","0.003","18.326","0.004","101.48","0.005","90.201","0.006","116.475","0.005","3389.9","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H41 N3 O2 -","- C40 H41 N3 O2 -","- C160 H164 N12 O8 -","4","2","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.271","0.0898","","","0.1406","0.1907","","","","","","1.018","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060404","14.2446","0.001","9.5821","0.0006","22.2848","0.0012","90","","90.518","0.002","90","","3041.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N3 O2 -","- C38 H31 N3 O2 -","- C152 H124 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.0963","0.0514","","","0.1073","0.1268","","","","","","1.035","","","","has coordinates","263810","2021-04-05","15:11:32",""
"7060405","7.4743","0.0005","15.2098","0.0008","14.2562","0.0008","90","","90","","90","","1620.68","0.17","290","","290","","","","","","","","","3","C 2 e b","C -2ac 2","41","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C88 H72 O16 -","4","0.5","","Yerrabelly, Jayaprakash Rao; Bathini, Pavan Kumar; Yerrabelly, Hemasri; Vadapalli, Kishore","Unusual titanium-induced McMurry coupling of 4-oxo-4H-chromene-2-carbaldehydes enroute to bis-chromones","New Journal of Chemistry","2021","45","10","4705","4709","10.1039/D0NJ04730A","","x-ray","0.71073","MoKα","","0.095","0.0754","","","0.1856","0.2021","","","","","","1.082","","","","has coordinates","263802","2021-04-05","15:08:46",""
"7060406","13.5335","0.0011","16.5838","0.0014","19.9675","0.0017","90","","90.12","0.001","90","","4481.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Mo12 N8 O40 Si -","- C12 H20 Mo12 N8 O40 Si -","- C48 H80 Mo48 N32 O160 Si4 -","4","1","","Sabarinathan, C.; Karthikeyan, M.; Murugappan, R. M.; Anthony, Savarimuthu Philip; Shankar, Bhaskaran; Parthasarathy, Kannabiran; Arumuganathan, T.","Polyoxometalate based ionic crystal: dual applications in selective colorimetric sensor for hydrated ZnCl2 and antimicrobial activity","New Journal of Chemistry","2021","45","12","5576","5588","10.1039/D1NJ00138H","","","0.71073","MoKα","","0.0975","0.082","","","0.2092","0.2237","","","","","","1.04","","","","has coordinates,has disorder","263817","2021-04-05","15:12:34",""
"7060407","18.654","0.0005","10.7253","0.0003","20.2024","0.0006","90","","90","","90","","4041.9","0.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","Ruthenium phenanthroline compound","Ruthenium phenanthroline compound","","- C40 H28 F12 N8 P2 Ru -","- C40 H28 F12 N8 P2 Ru -","- C160 H112 F48 N32 P8 Ru4 -","4","1","","Deshpande, Megha S.; Morajkar, Sudesh M.; Srinivasan, Bikshandarkoil R.; Ahirwar, Mini Bharati; Deshmukh, Milind M.","Effect of the electronic structure on the robustness of ruthenium(ii) bis-phenanthroline compounds for photodissociation of the co-ligand: synthesis, structural characterization, and density functional theory study","New Journal of Chemistry","2021","45","12","5437","5451","10.1039/D0NJ05921H","","","0.71073","MoKα","","0.0356","0.0289","","","0.0672","0.0732","","","","","","1.051","","","","has coordinates","263815","2021-04-05","15:12:21",""
"7060408","12.8995","0.0007","18.7091","0.001","18.0277","0.001","90","","109.147","0.002","90","","4110.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Gd2 N9 Ni O18 -","- C30 H39 Gd2 N9 Ni O18 -","- C120 H156 Gd8 N36 Ni4 O72 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.0475","0.0372","","","0.0757","0.0834","","","","","","1.176","","","","has coordinates,has disorder","263808","2021-04-05","15:10:36",""
"7060409","11.4638","0.0007","12.0205","0.0008","14.4633","0.0009","82.674","0.002","68.567","0.002","76.004","0.002","1798.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H42 Cl2 N4 Ni O14 -","- C28 H42 Cl2 N4 Ni O14 -","- C56 H84 Cl4 N8 Ni2 O28 -","2","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.0902","0.0787","","","0.2523","0.2682","","","","","","1.106","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060410","12.8433","0.0012","18.6429","0.0017","17.9984","0.0016","90","","108.867","0.004","90","","4077.9","0.7","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 N9 Ni O18 Tb2 -","- C30 H39 N9 Ni O18 Tb2 -","- C120 H156 N36 Ni4 O72 Tb8 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.0856","0.0686","","","0.1618","0.1781","","","","","","1.061","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060411","12.8244","0.0006","18.6644","0.0008","17.9432","0.0008","90","","108.793","0.002","90","","4065.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Ho2 N9 Ni O18 -","- C30 H39 Ho2 N9 Ni O18 -","- C120 H156 Ho8 N36 Ni4 O72 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.063","0.0411","","","0.0922","0.1043","","","","","","1.022","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060412","12.8472","0.0008","18.6399","0.0012","17.9789","0.0011","90","","108.883","0.002","90","","4073.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Dy2 N9 Ni O18 -","- C30 H39 Dy2 N9 Ni O18 -","- C120 H156 Dy8 N36 Ni4 O72 -","4","1","","Bag, Riya; Sikdar, Yeasin; Saha, Pinaki; Ghosh, Prasanta; Drew, Michael G. B.; Tang, Jinkui; Goswami, Sanchita","Enhancement of the coordinating flexibility in a Schiff‒Mannich combo ligand: forced generation of a new NiII‒Ophenoxo‒LnIII‒Oalkoxo‒LnIII array (Ln = Gd, Tb, Dy and Ho)","New Journal of Chemistry","2021","45","11","5258","5265","10.1039/D0NJ05812B","","","0.71073","MoKα","","0.048","0.0376","","","0.0735","0.0818","","","","","","1.225","","","","has coordinates,has disorder","263808","2021-04-05","15:10:37",""
"7060413","17.535","0.002","26.456","0.002","9.6766","0.001","90","","103.953","0.011","90","","4356.6","0.8","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H21 F10 N7 O -","- C44 H21 F10 N7 O -","- C176 H84 F40 N28 O4 -","4","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1632","0.0998","","","0.2629","0.323","","","","","","0.997","","","","has coordinates,has disorder","263809","2021-04-05","15:10:53",""
"7060414","41.43","0.004","16.3457","0.0014","12.9588","0.0016","90","","90","","90","","8775.7","1.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H21 F10 N7 O -","- C44 H21 F10 N7 O -","- C352 H168 F80 N56 O8 -","8","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1388","0.0851","","","0.2324","0.2883","","","","","","1.017","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060415","8.5533","0.0005","12.3838","0.0007","23.3415","0.0012","94.017","0.004","93.627","0.005","93.244","0.005","2456.7","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H28 Co F10 N4 O P -","- C56 H28 Co F10 N4 O P -","- C112 H56 Co2 F20 N8 O2 P2 -","2","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","0.71073","MoKα","","0.0723","0.051","","","0.1117","0.1221","","","","","","1.053","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060416","14.6531","0.0006","32.9883","0.0015","10.9968","0.0004","90","","103.16","0.004","90","","5176","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H28 Co F10 N4 O P -","- C56 H28 Co F10 N4 O P -","- C224 H112 Co4 F40 N16 O4 P4 -","4","1","","Fang, Jun-Jia; Lan, Jian; Yang, Gang; Yuan, Gao-Qing; Liu, Hai-Yang; Si, Li-Ping","Synthesis of cobalt A2B triaryl corroles bearing aldehyde and amide pyridyl groups and their performance in electrocatalytic hydrogen evolution","New Journal of Chemistry","2021","45","11","5127","5136","10.1039/D0NJ04953K","","x-ray","1.54184","CuKα","","0.1385","0.0768","","","0.1692","0.1942","","","","","","1.048","","","","has coordinates","263809","2021-04-05","15:10:54",""
"7060417","9.125","0.002","9.125","0.002","44.906","0.012","90","","90","","90","","3739.1","1.5","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","tpyZn","","","- C40 H32 N10 O8 Zn -","- C40 H32 N10 O8 Zn -","- C160 H128 N40 O32 Zn4 -","4","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.0458","0.0388","","","0.0875","0.0906","","","","","","1.018","","","","has coordinates","263811","2021-04-05","15:11:48",""
"7060418","9.053","0.007","12.444","0.01","21.163","0.017","84.573","0.013","83.905","0.012","89.958","0.012","2360","3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","tpyRu","","","- C48 H62 F12 N10 O7 P2 Ru -","- C35 H25 F12 N7 P2 Ru -","- C70 H50 F24 N14 P4 Ru2 -","2","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.1913","0.1276","","","0.3285","0.3727","","","","","","1.002","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060419","28.21","0.02","59.04","0.04","8.653","0.007","90","","90","","90","","14412","18","298","2","298","2","","","","","","","","8","P n m a","-P 2ac 2n","62","RuPt","","","- C62 H70 F24 N10 O5 P4 Pt Ru -","- C50 H36 F24 N10 P4 Pt Ru -","- C400 H288 F192 N80 P32 Pt8 Ru8 -","8","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.2298","0.0882","","","0.1158","0.1332","","","","","","0.982","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060420","9.179","0.003","12.056","0.004","21.623","0.007","96.203","0.005","99.507","0.005","92.535","0.005","2341.5","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H62 F12 N10 O2 P2 Ru -","- C47 H49 F6 N7 P Ru -","- C94 H98 F12 N14 P2 Ru2 -","2","1","","Jiang, Qin; Yang, Xinda; Xiang, Pan; Dudek, Marta; Matczyszyn, Katarzyna; Samoc, Marek; Tian, Xiaohe; Zhang, Qiong; Luo, Yuhui; Wang, Daqi; Shi, Pengfei","Self-assembled heterometallic complexes showing enhanced two-photon absorption and their distribution in living cells","New Journal of Chemistry","2021","45","11","4994","5001","10.1039/D0NJ05219A","","","0.71073","MoKα","","0.1708","0.0657","","","0.0886","0.1079","","","","","","1.005","","","","has coordinates","263811","2021-04-05","15:11:49",""
"7060421","14.6919","0.0005","14.6919","0.0005","6.9649","0.0003","90","","90","","120","","1301.97","0.08","120","2","120","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C27 H34 S3 Si -","- C27 H34 S3 Si -","- C54 H68 S6 Si2 -","2","0.166667","","Anisimov, Anton A.; Temnikov, Maxim N.; Krizhanovskiy, Ilya; Timoshina, Ekaterina I.; Milenin, Sergey A.; Peregudov, Alexander S.; Dolgushin, Fedor M.; Muzafarov, Aziz M.","A thiol‒ene click reaction with preservation of the Si‒H bond: a new approach for the synthesis of functional organosilicon compounds","New Journal of Chemistry","2021","45","13","5764","5769","10.1039/D1NJ00411E","","","0.71073","MoKα","","0.033","0.0324","","","0.0838","0.0843","","","","","","1.045","","","","has coordinates","264926","2021-05-05","08:55:57",""
"7060422","8.0403","0.0007","13.5577","0.0009","14.0775","0.0007","68.65","0.005","76.418","0.006","81.653","0.006","1386.26","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cl0 N O -","- C9.33333 Cl0.666667 N0.666667 O2.66667 -","- C56 Cl4 N4 O16 -","6","3","","Chen, Min; Geng, Chun-Wen; Han, Ling; Liu, Yu; Yu, Yong-Kai; Lu, Ai-Min; Yang, Chun-Long; Li, Guo-Hua","Design, synthesis, crystal structure, and herbicidal activity of novel pyrrolidine-2,4-dione derivatives incorporating an alkyl ether pharmacophore with natural tetramic acids as lead compounds","New Journal of Chemistry","2021","45","12","5621","5630","10.1039/D1NJ00119A","","x-ray","1.54184","CuKα","","0.0869","0.077","","","0.2478","0.2684","","","","","","1.039","","","","has coordinates","263816","2021-04-05","15:12:27",""
"7060423","21.3768","0.0007","11.2447","0.0003","30.5394","0.0014","90","","105.3","0.004","90","","7080.7","0.5","100","","100","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C68 H78 N16 Ni5 O12 -","- C68 H78 N16 Ni5 O12 -","- C272 H312 N64 Ni20 O48 -","4","0.5","","Richa,; Rathnam, Muni; Kumar, Akhilesh; Verma, Indresh; Kłak, Julia; Cano, Joan; Mota, Antonio J.; Rajput, Amit; Arora, Himanshu","Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study","New Journal of Chemistry","2021","45","13","6053","6066","10.1039/D1NJ00228G","","","0.71073","MoKα","","0.0439","0.0347","","","0.0828","0.0884","","","","","","1.075","","","","has coordinates","264922","2021-05-05","08:55:05",""
"7060424","19.6157","0.0008","15.3792","0.0006","28.243","0.0009","90","","90","","90","","8520.2","0.6","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C64 H72 Co6 N32 O12 -","- C64 H72 Co6 N32 O12 -","- C256 H288 Co24 N128 O48 -","4","0.5","","Richa,; Rathnam, Muni; Kumar, Akhilesh; Verma, Indresh; Kłak, Julia; Cano, Joan; Mota, Antonio J.; Rajput, Amit; Arora, Himanshu","Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study","New Journal of Chemistry","2021","45","13","6053","6066","10.1039/D1NJ00228G","","","1.54184","CuKα","","0.0894","0.0546","","","0.1453","0.1702","","","","","","1.028","","","","has coordinates","264922","2021-05-05","08:55:05",""
"7060425","15.872","0.002","6.0495","0.0004","16.2381","0.0019","90","","106.271","0.011","90","","1496.7","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N3 O4 -","- C15 H14 Cl N3 O4 -","- C60 H56 Cl4 N12 O16 -","4","1","","Popova, Alexandra V.; Kanaa, Ali; Vavilova, Vladislava S.; Mironova, Maria A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Design, synthesis, and photophysics of bi- and tricyclic fused pyrazolines","New Journal of Chemistry","2021","45","14","6315","6326","10.1039/D0NJ06287A","","","0.71073","MoKα","","0.1098","0.038","","","0.0568","0.0606","","","","","","1.003","","","","has coordinates","264928","2021-05-05","08:56:21",""
"7060426","11.5162","0.0017","7.2314","0.0009","16.393","0.003","90","","95.819","0.014","90","","1358.1","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Popova, Alexandra V.; Kanaa, Ali; Vavilova, Vladislava S.; Mironova, Maria A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Design, synthesis, and photophysics of bi- and tricyclic fused pyrazolines","New Journal of Chemistry","2021","45","14","6315","6326","10.1039/D0NJ06287A","","","0.71073","MoKα","","0.1073","0.0398","","","0.0975","0.1056","","","","","","0.742","","","","has coordinates","264928","2021-05-05","08:56:31",""
"7060427","12.07","0.002","14.792","0.002","15.045","0.002","66.17","0.02","66.53","0.02","66.61","0.02","2162.8","0.7","100","0.11","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H64 Eu N4 Na6 O32 P4 -","- C12 H54 Eu N4 Na6 O32 P4 -","- C24 H108 Eu2 N8 Na12 O64 P8 -","2","1","","Starynowicz, Przemysław","Complexes of divalent europium with dotp and dotpph","New Journal of Chemistry","2021","45","13","5879","5889","10.1039/D1NJ00393C","","x-ray","0.71073","MoKα","","0.051","0.0409","","","0.0895","0.0937","","","","","","1.086","","","","has coordinates","264923","2021-05-05","08:55:15",""
"7060428","15.436","0.005","12.4","0.003","23.987","0.007","90","","90.16","0.03","90","","4591","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Eu N10 O10 P4 -","- C38 H60 Eu N10 O10 P4 -","- C152 H240 Eu4 N40 O40 P16 -","4","1","","Starynowicz, Przemysław","Complexes of divalent europium with dotp and dotpph","New Journal of Chemistry","2021","45","13","5879","5889","10.1039/D1NJ00393C","","","0.71073","MoKα","","0.0668","0.0427","","","0.081","0.0896","","","","","","1.029","","","","has coordinates","264923","2021-05-05","08:55:15",""
"7060429","11.1106","0.0006","11.3667","0.0006","23.4788","0.0013","90","","90.116","0.004","90","","2965.2","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16.5 H23.5 N1.5 S0.5 -","- C16.5 H23.5 N1.5 S0.5 -","- C132 H188 N12 S4 -","8","4","","Alnufaie, Rawan; Ali, Mohamad Akbar; Alkhaibari, Ibrahim S.; Roy, Subrata; Day, Victor W.; Alam, Mohammad A.","Benign Synthesis of Fused-thiazoles with Enone-based Natural Products and Drugs for Lead Discovery.","New journal of chemistry = Nouveau journal de chimie","2021","45","13","6001","6017","10.1039/D1NJ00380A","","","1.54178","CuKα","","0.0694","0.0563","","","0.1313","0.1422","","","","","","1.057","","","","has coordinates","264924","2021-05-05","08:55:22",""
"7060430","9.1202","0.0006","10.5184","0.0006","13.8101","0.0008","93.211","0.003","95.761","0.003","108.941","0.003","1241.2","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 B0 Br N2 -","- C33 H25 Br N2 -","- C66 H50 Br2 N4 -","2","1","","Xia, Youfu; Du, Yanqing; Xiang, Qian; Humphrey, Mark G.","Highly efficient room-temperature phosphorescent materials with a heavy-atom effect of bromine","New Journal of Chemistry","2021","45","11","4930","4933","10.1039/D0NJ05713D","","","0.71073","MoKα","","0.0326","0.0276","","","0.0702","0.0726","","","","","","1.069","","","","has coordinates","263813","2021-04-05","15:12:08",""
"7060431","8.6776","0.0004","13.1444","0.0005","15.7153","0.0006","68.612","0.002","80.333","0.003","86.144","0.002","1645.33","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H32 Br N3 -","- C45 H32 Br N3 -","- C90 H64 Br2 N6 -","2","1","","Xia, Youfu; Du, Yanqing; Xiang, Qian; Humphrey, Mark G.","Highly efficient room-temperature phosphorescent materials with a heavy-atom effect of bromine","New Journal of Chemistry","2021","45","11","4930","4933","10.1039/D0NJ05713D","","","0.71073","MoKα","","0.0748","0.0464","","","0.0944","0.1043","","","","","","1.013","","","","has coordinates","263813","2021-04-05","15:12:09",""
"7060432","32.804","0.005","12.6273","0.0015","27.092","0.004","90","","122.688","0.004","90","","9445","2","291.48","","291.48","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H31 F6 Ir N7 O2 P -","- C46 H31 F6 Ir N7 O2 P -","- C368 H248 F48 Ir8 N56 O16 P8 -","8","1","","Akhtar, Mansoor; Arif, Ali Muhammad; Ullah Khan, Shifa; Shan, Guo-Gang; Xu, Hong-liang; Su, Zhong-Min","Tuning the NLO response of bis-cyclometalated iridium(iii) complexes by modifying ligands: experimental and structural DFT analysis","New Journal of Chemistry","2021","45","12","5491","5496","10.1039/D1NJ00114K","","","0.71073","MoKα","","0.0787","0.0688","","","0.1563","0.1601","","","","","","1.235","","","","has coordinates,has disorder","263818","2021-04-05","15:12:42",""
"7060433","12.2395","0.0006","15.3428","0.0006","13.999","0.0006","90","","114.344","0.005","90","","2395.1","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 S2 -","- C22 H26 N4 S2 -","- C88 H104 N16 S8 -","4","1","","Mannarsamy, Maruthupandi; Prabusankar, Ganesan","Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones","New Journal of Chemistry","2021","45","13","5933","5938","10.1039/D1NJ00397F","","x-ray","1.54184","CuKα","","0.0608","0.0436","","","0.1235","0.14","","","","","","1.0269","","","","has coordinates","264925","2021-05-05","08:55:51",""
"7060434","33.0313","0.0004","13.34528","0.00014","22.2766","0.0002","90","","92.7456","0.001","90","","9808.52","0.18","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 B Cu F4 N8 S4 -","- C44 H52 B Cu F4 N8 S4 -","- C352 H416 B8 Cu8 F32 N64 S32 -","8","1","","Mannarsamy, Maruthupandi; Prabusankar, Ganesan","Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones","New Journal of Chemistry","2021","45","13","5933","5938","10.1039/D1NJ00397F","","x-ray","1.54184","CuKα","","0.0612","0.0506","","","0.1566","0.1726","","","","","","1.05","","","","has coordinates","264925","2021-05-05","08:55:51",""
"7060435","33.4425","0.0004","13.3162","0.0002","22.4856","0.0003","90","","91.9405","0.0011","90","","10007.7","0.2","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 B Cu F4 N8 Se4 -","- C44 H52 B Cu F4 N8 Se4 -","- C352 H416 B8 Cu8 F32 N64 Se32 -","8","1","","Mannarsamy, Maruthupandi; Prabusankar, Ganesan","Rare proximity enforced copper hydrogen interactions in copper(i)-chalcogenones","New Journal of Chemistry","2021","45","13","5933","5938","10.1039/D1NJ00397F","","x-ray","1.54184","CuKα","","0.0539","0.0409","","","0.1216","0.1413","","","","","","1.0112","","","","has coordinates","264925","2021-05-05","08:55:51",""
"7060436","12.4561","0.0006","17.139","0.0005","13.9847","0.0007","92.281","0.003","81.867","0.004","96.178","0.003","2937.4","0.2","109","2","109","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cr2 N8 O31 V2 -","- C48 H54 Cr2 N8 O31 V2 -","- C96 H108 Cr4 N16 O62 V4 -","2","1","","Androš Dubraja, Lidija; Žilić, Dijana; Olujić, Kristina; Pavić, Luka; Molčanov, Krešimir; Pajić, Damir","Targeted synthesis of a CrIII‒O‒VV core oxo-bridged complex: spectroscopic, magnetic and electrical properties","New Journal of Chemistry","2021","45","14","6336","6343","10.1039/D1NJ00430A","","","1.54184","CuKα","","0.1004","0.069","","","0.185","0.2115","","","","","","1.028","","","","has coordinates","264932","2021-05-05","08:57:19",""
"7060437","13.193","0.009","14.898","0.01","18.494","0.01","97.25","0.02","105.386","0.019","105.82","0.03","3294","4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C120 H80 B2 Cl6 F48 N6 Na2 O8 -","- C120 H80 B2 Cl6 F48 N6 Na2 O8 -","- C120 H80 B2 Cl6 F48 N6 Na2 O8 -","1","0.5","","D'Amato, Assunta; Schettini, Rosaria; Pierri, Giovanni; Izzo, Irene; Grisi, Fabia; Tedesco, Consiglia; De Riccardis, Francesco; Costabile, Chiara","Synthesis and characterization of new Na+ complexes of N-benzyl cyclic peptoids and their role in the ring opening polymerization of l-lactide","New Journal of Chemistry","2021","45","12","5410","5420","10.1039/D0NJ05931E","","","1.54178","CuKα","","0.1339","0.1007","","","0.2795","0.3116","","","","","","1.017","","","","has coordinates,has disorder","263814","2021-04-05","15:12:14",""
"7060438","7.2638","0.0003","11.8595","0.0005","13.0619","0.0006","72.35","0.002","78.127","0.002","76.793","0.002","1032.53","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H30 Cu2 N11 O9 -","- C43 H30 Cu2 N11 O9 -","- C43 H30 Cu2 N11 O9 -","1","0.5","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.0437","0.0392","","","0.1097","0.1122","","","","","","1.09","","","","has coordinates,has disorder","264929","2021-05-05","08:56:43",""
"7060439","10.0002","0.001","10.087","0.001","13.5209","0.0014","98.126","0.004","94.279","0.004","112.649","0.003","1233.6","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Co N6 O4 -","- C26 H21 Co N6 O4 -","- C52 H42 Co2 N12 O8 -","2","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.1254","0.0633","","","0.1288","0.1539","","","","","","1.015","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060440","14.5651","0.0008","15.7498","0.0009","16.6824","0.0009","90","","104.218","0.0014","90","","3709.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N5 O4 Zn -","- C20 H15 N5 O4 Zn -","- C160 H120 N40 O32 Zn8 -","8","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.0716","0.0466","","","0.109","0.1226","","","","","","1.04","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060441","7.8286","0.0003","17.0971","0.0007","16.1032","0.0007","90","","95.512","0.001","90","","2145.39","0.15","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N5 O6 Zn -","- C21 H21 N5 O6 Zn -","- C84 H84 N20 O24 Zn4 -","4","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.0521","0.0427","","","0.1214","0.1272","","","","","","1.027","","","","has coordinates,has disorder","264929","2021-05-05","08:56:44",""
"7060442","27.0143","0.0015","10.0527","0.0006","20.5229","0.0012","90","","111.043","0.002","90","","5201.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Mn2 N13 O10 -","- C55 H48 Mn2 N13 O10 -","- C220 H192 Mn8 N52 O40 -","4","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.1095","0.084","","","0.2198","0.2316","","","","","","1","","","","has coordinates,has disorder","264929","2021-05-05","08:56:44",""
"7060443","12.7472","0.0015","17.173","0.002","13.6504","0.0016","90","","110.216","0.003","90","","2804.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cd N8 O8 -","- C28 H19 Cd N8 O8 -","- C112 H76 Cd4 N32 O32 -","4","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.073","0.0461","","","0.099","0.1073","","","","","","1.309","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060444","15.1952","0.0007","17.0749","0.0009","17.2622","0.0009","115.355","0.002","112.757","0.001","92.171","0.002","3619.3","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H63 N18 Ni3 O12 -","- C78 H63 N18 Ni3 O12 -","- C156 H126 N36 Ni6 O24 -","2","1","","Akhtar, Sohel; Singha, Pabitra; De, Avik; Das, Krishna Sundar; Saha, Sayan; Bala, Sukhen; Mondal, Raju","Construction of a series of metal-directed MOFs to explore their physical and chemical properties","New Journal of Chemistry","2021","45","14","6438","6449","10.1039/D0NJ03424J","","","0.71073","MoKα","","0.1517","0.0796","","","0.1878","0.2474","","","","","","1.091","","","","has coordinates","264929","2021-05-05","08:56:44",""
"7060445","12.5557","0.0005","12.7795","0.0007","12.875","0.0007","61.256","0.006","72.894","0.004","84.428","0.004","1728.75","0.19","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Ag6 Cd2 N14 O22 S6 -","- C44 H46 Ag6 Cd2 N14 O22 S6 -","- C44 H46 Ag6 Cd2 N14 O22 S6 -","1","0.5","","Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan","Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies","New Journal of Chemistry","2021","45","14","6503","6511","10.1039/D1NJ00544H","","","0.71073","MoKα","","0.0383","0.0348","","","0.0853","0.0876","","","","","","1.03","","","","has coordinates","264931","2021-05-05","08:57:11",""
"7060446","11.6027","0.0005","12.0784","0.0004","12.2986","0.0005","64.612","0.004","82.183","0.004","75.63","0.004","1507.52","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Cd Cu6 N12 O22 S6 -","- C42 H44 Cd Cu6 N12 O22 S6 -","- C42 H44 Cd Cu6 N12 O22 S6 -","1","0.5","","Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan","Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies","New Journal of Chemistry","2021","45","14","6503","6511","10.1039/D1NJ00544H","","","0.71073","MoKα","","0.0486","0.0426","","","0.1027","0.1088","","","","","","0.899","","","","has coordinates","264931","2021-05-05","08:57:12",""
"7060447","11.8171","0.0011","12.2377","0.001","12.5376","0.0011","65.73","0.004","81.992","0.005","76.182","0.004","1603.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H44 Ag6 Cd N12 O22 S6 -","- C42 H44 Ag6 Cd N12 O22 S6 -","- C42 H44 Ag6 Cd N12 O22 S6 -","1","0.5","","Sarkar, Anupam; Jana, Ajay Kumar; Natarajan, Srinivasan","Aliphatic amine mediated assembly of [M6(mna)6] (M = Cu/Ag) into extended two-dimensional structures: synthesis, structure and Lewis acid catalytic studies","New Journal of Chemistry","2021","45","14","6503","6511","10.1039/D1NJ00544H","","","0.71073","MoKα","","0.0388","0.0301","","","0.0871","0.0969","","","","","","0.949","","","","has coordinates","264931","2021-05-05","08:57:12",""
"7060448","4.9758","0.0002","13.6254","0.0005","15.0972","0.0006","63.661","0.001","84.372","0.001","82.324","0.001","908.2","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","- C40 H40 N8 O8 -","2","1","","Mathivanan, Moorthy; Tharmalingam, Balamurugan; Devaraj, Thangaraj; Murugan, Abinayaselvi; Lin, Chia-Her; Jothi, Mathivanan; Murugesapandian, Balasubramanian","A new 7-diethylamino-4-hydroxycoumarin based reversible colorimetric/fluorometric probe for sequential detection of Al3+/PPi and its potential use in biodetection and bioimaging applications","New Journal of Chemistry","2021","45","13","6067","6079","10.1039/D0NJ05718E","","","0.71073","MoKα","","0.1088","0.0868","","","0.2355","0.2509","","","","","","1.09","","","","has coordinates","264927","2021-05-05","08:56:04",""
"7060449","12.4372","0.0005","7.2932","0.0002","16.2417","0.0006","90","","108.876","0.004","90","","1394.01","0.09","298.8","0.6","298.8","0.6","","","","","","","","4","P -1","-P 1","2","","","","- C56 Cl4 N8 O12 -","- C56 Cl4 N8 O12 -","- C56 Cl4 N8 O12 -","1","0.5","","Kakati, Praachi; Singh, Preeti; Yadav, Priyanka; Awasthi, Satish Kumar","Aiding the versatility of simple ammonium ionic liquids by the synthesis of bioactive 1,2,3,4-tetrahydropyrimidine, 2-aminothiazole and quinazolinone derivatives","New Journal of Chemistry","2021","45","15","6724","6738","10.1039/D1NJ00280E","","x-ray","0.71073","MoKα","","0.2272","0.1831","","","0.4501","0.4857","","","","","","2.6068","","","","has coordinates","264938","2021-05-05","08:59:40",""
"7060450","7.2836","0.0004","12.247","0.0007","13.7125","0.0008","75.781","0.005","74.928","0.005","89.897","0.005","1142.4","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C5.5 H6.25 N O S0.5 -","- C5.5 H6.25 N O S0.5 -","- C44 H50 N8 O8 S4 -","8","4","","Kakati, Praachi; Singh, Preeti; Yadav, Priyanka; Awasthi, Satish Kumar","Aiding the versatility of simple ammonium ionic liquids by the synthesis of bioactive 1,2,3,4-tetrahydropyrimidine, 2-aminothiazole and quinazolinone derivatives","New Journal of Chemistry","2021","45","15","6724","6738","10.1039/D1NJ00280E","","x-ray","0.71073","MoKα","","0.0766","0.0531","","","0.1176","0.1329","","","","","","1.038","","","","has coordinates","264938","2021-05-05","08:59:40",""
"7060451","16.6045","0.0002","20.8678","0.0003","19.2934","0.0003","90","","98.971","0.001","90","","6603.37","0.16","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H42.2 Mo12 N Na10 O77.6 Se2 -","- C6 Mo12 N Na10 O77.6 Se2 -","- C24 Mo48 N4 Na40 O310.4 Se8 -","4","1","","Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations","New Journal of Chemistry","2021","45","15","6745","6752","10.1039/D1NJ00421B","","x-ray","0.71073","MoKα","","0.0436","0.0333","","","0.0796","0.0833","","","","","","1.054","","","","has coordinates","264933","2021-05-05","08:57:37",""
"7060452","10.5584","0.0009","13.5966","0.001","20.6658","0.0016","97.457","0.003","92.579","0.003","109.222","0.003","2765.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H16 Mo12 N0.5 Na10.5 O63.5 Se2 -","- C6 Mo12 N0.5 Na10.5 O63.5 Se2 -","- C12 Mo24 N Na21 O127 Se4 -","2","1","","Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations","New Journal of Chemistry","2021","45","15","6745","6752","10.1039/D1NJ00421B","","x-ray","0.71073","MoKα","","0.1249","0.1026","","","0.2153","0.2253","","","","","","1.118","","","","has coordinates,has disorder","264933","2021-05-05","08:57:37",""
"7060453","15.8296","0.0001","18.5387","0.0001","25.6801","0.0003","89.128","0.001","88.474","0.001","89.873","0.001","7532.53","0.11","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H111 Mo8 N5 Na2 O29 -","- C50 H111 Mo8 N5 Na2 O29 -","- C200 H444 Mo32 N20 Na8 O116 -","4","2","","Pantyukhina, Valeria S.; Volchek, Victoria V.; Komarov, Vladislav Yu.; Korolkov, Ilya V.; Kokovkin, Vasily V.; Kompankov, Nikolay B.; Abramov, Pavel A.; Sokolov, Maxim N.","Tubular polyoxoanion [(SeMo6O21)2(C2O4)3]10− and its transformations","New Journal of Chemistry","2021","45","15","6745","6752","10.1039/D1NJ00421B","","x-ray","0.71073","MoKα","","0.044","0.0348","","","0.0772","0.08","","","","","","1.155","","","","has coordinates","264933","2021-05-05","08:57:37",""
"7060454","12.3426","0.0007","6.9034","0.0004","20.5241","0.0011","90","","92.576","0.001","90","","1747.01","0.17","273","2","273.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H40 Mn N4 O16 -","- C32 H40 Mn N4 O16 -","- C64 H80 Mn2 N8 O32 -","2","0.5","","Zhao, Guozheng; Liu, Wenya; Yuan, Fang; Liu, Jinjian","Three Mn‒viologen complexes containing 1-carboxyethyl-4,4′-bipyridinium: crystal structures, photochromism and theoretical calculations","New Journal of Chemistry","2021","45","15","6787","6795","10.1039/D0NJ06279K","","","0.71073","MoKα","","0.0638","0.0594","","","0.1689","0.1724","","","","","","1.115","","","","has coordinates,has disorder","264939","2021-05-05","08:59:50",""
"7060455","22.9837","0.0013","6.9704","0.0003","24.5066","0.0013","90","","117.498","0.007","90","","3482.6","0.4","293","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Mn N4 O16 -","- C32 H40 Mn N4 O16 -","- C128 H160 Mn4 N16 O64 -","4","0.5","","Zhao, Guozheng; Liu, Wenya; Yuan, Fang; Liu, Jinjian","Three Mn‒viologen complexes containing 1-carboxyethyl-4,4′-bipyridinium: crystal structures, photochromism and theoretical calculations","New Journal of Chemistry","2021","45","15","6787","6795","10.1039/D0NJ06279K","","","0.71073","MoKα","","0.06","0.0426","","","0.0921","0.1034","","","","","","1.031","","","","has coordinates","264939","2021-05-05","08:59:50",""
"7060456","6.9616","0.001","11.8671","0.0017","22.471","0.003","87.899","0.003","84.516","0.003","77.151","0.003","1801.4","0.4","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Mn N4 O17 S -","- C30 H40 Mn N4 O17 S -","- C60 H80 Mn2 N8 O34 S2 -","2","1","","Zhao, Guozheng; Liu, Wenya; Yuan, Fang; Liu, Jinjian","Three Mn‒viologen complexes containing 1-carboxyethyl-4,4′-bipyridinium: crystal structures, photochromism and theoretical calculations","New Journal of Chemistry","2021","45","15","6787","6795","10.1039/D0NJ06279K","","","0.71073","MoKα","","0.0533","0.0404","","","0.0969","0.1044","","","","","","1.029","","","","has coordinates","264939","2021-05-05","08:59:50",""
"7060457","25.0876","0.0011","5.2205","0.0002","22.5474","0.0009","90","","120.386","0.001","90","","2547.39","0.18","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 B2 F4 N4 Se2 -","- C26 H24 B2 F4 N4 Se2 -","- C104 H96 B8 F16 N16 Se8 -","4","0.5","","Hasegawa, Ryohei; Iwakiri, Shinji; Kubo, Yuji","Synthesis and triplet sensitization of bis(arylselanyl)BOPHYs; potential application in triplet‒triplet annihilation upconversion","New Journal of Chemistry","2021","45","13","6091","6099","10.1039/D1NJ00721A","","","1.54178","CuKα","","0.0255","0.0254","","","0.0603","0.0604","","","","","","1.171","","","","has coordinates","264920","2021-05-05","08:54:45",""
"7060458","8.4335","0.0017","14.985","0.003","22.574","0.005","90","","96.76","0.03","90","","2833","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N16 Ta2 -","- C24 H24 N16 Ta2 -","- C96 H96 N64 Ta8 -","4","1","","Petrov, Pavel A.; Laricheva, Yuliya A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.","Tantalum(iv) pyrazolate: new wine in the old wineskin","New Journal of Chemistry","2021","45","16","7047","7051","10.1039/D1NJ00195G","","","0.71073","MoKα","","0.0276","0.0232","","","0.0525","0.0542","","","","","","1.074","","","","has coordinates","264917","2021-05-05","08:54:23",""
"7060459","8.1031","0.001","11.6725","0.0016","12.8496","0.0016","99.194","0.004","94.784","0.004","97.26","0.004","1183.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 N3 Ni S7 -","- C16 H22 N3 Ni S7 -","- C32 H44 N6 Ni2 S14 -","2","1","","Chen, Xuan-Rong; Luo, Min; Zhang, Zhen-Min; Xu, Xiao-Yi; Jiang, Yi; Liu, Hang","Magnetism, dielectrics and ion conduction in two polymorphs of a heteroleptic bis(dithiolato)nickelate molecular solid","New Journal of Chemistry","2021","45","13","5971","5980","10.1039/D1NJ00491C","","","0.71073","MoKα","","0.0956","0.0446","","","0.0852","0.1","","","","","","1.012","","","","has coordinates","264921","2021-05-05","08:54:54",""
"7060460","17.878","0.002","17.576","0.002","7.5597","0.0008","90","","98.828","0.003","90","","2347.3","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H22 N3 Ni S7 -","- C16 H22 N3 Ni S7 -","- C64 H88 N12 Ni4 S28 -","4","1","","Chen, Xuan-Rong; Luo, Min; Zhang, Zhen-Min; Xu, Xiao-Yi; Jiang, Yi; Liu, Hang","Magnetism, dielectrics and ion conduction in two polymorphs of a heteroleptic bis(dithiolato)nickelate molecular solid","New Journal of Chemistry","2021","45","13","5971","5980","10.1039/D1NJ00491C","","","0.71073","MoKα","","0.0884","0.0543","","","0.1214","0.136","","","","","","1.044","","","","has coordinates","264921","2021-05-05","08:54:54",""
"7060461","36.681","0.002","21.1352","0.0009","19.0189","0.001","90","","90.535","0.002","90","","14744","1.3","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H48 Dy2 N7 O20 -","- C48 H48 Dy2 N7 O20 -","- C384 H384 Dy16 N56 O160 -","8","1","","Lin, Qingfang; Xie, Wen; Zong, Zhihui; Liu, Zicheng; Sun, Yuqing; Liang, Lili","Lanthanide-based bis-(3,5-dicarboxy-phenyl)terephthalamide metal‒organic frameworks: slow relaxation of magnetization and detection of trace Fe2+ and Fe3+","New Journal of Chemistry","2021","45","16","7382","7389","10.1039/D1NJ00863C","","","0.71073","MoKα","","0.1342","0.0787","","","0.194","0.2428","","","","","","1.03","","","","has coordinates,has disorder","264916","2021-05-05","08:54:17",""
"7060462","36.6398","0.0014","21.2459","0.0009","19.1182","0.0009","90","","90.864","0.002","90","","14880.8","1.1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N7 O19 Sm2 -","- C48 H46 N7 O19 Sm2 -","- C384 H368 N56 O152 Sm16 -","8","1","","Lin, Qingfang; Xie, Wen; Zong, Zhihui; Liu, Zicheng; Sun, Yuqing; Liang, Lili","Lanthanide-based bis-(3,5-dicarboxy-phenyl)terephthalamide metal‒organic frameworks: slow relaxation of magnetization and detection of trace Fe2+ and Fe3+","New Journal of Chemistry","2021","45","16","7382","7389","10.1039/D1NJ00863C","","","0.71076","MoKα","","0.1139","0.0703","","","0.1806","0.2191","","","","","","1.026","","","","has coordinates,has disorder","264916","2021-05-05","08:54:17",""
"7060463","9.9045","0.0002","15.9949","0.0003","12.6185","0.0002","90","","96.154","0.002","90","","1987.52","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 Co N8 -","- C22 H12 Co N8 -","- C88 H48 Co4 N32 -","4","1","","Kliuikov, Andrii; Bukrynov, Oleksandr; Čižmár, Erik; Váhovská, Lucia; Vitushkina, Svitlana; Samoľová, Erika; Potočňák, Ivan","Syntheses, structures and magnetic properties of two isostructural dicyanamide-bridged 2D polymers","New Journal of Chemistry","2021","45","16","7117","7128","10.1039/D1NJ00726B","","","0.71073","MoKα","","0.0269","0.0233","","","0.0582","0.0606","","","","","","1.028","","","","has coordinates","264918","2021-05-05","08:54:29",""
"7060464","9.9542","0.0001","15.8951","0.0001","12.5557","0.0001","90","","97.178","0.001","90","","1971.03","0.03","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N8 Ni -","- C22 H12 N8 Ni -","- C88 H48 N32 Ni4 -","4","1","","Kliuikov, Andrii; Bukrynov, Oleksandr; Čižmár, Erik; Váhovská, Lucia; Vitushkina, Svitlana; Samoľová, Erika; Potočňák, Ivan","Syntheses, structures and magnetic properties of two isostructural dicyanamide-bridged 2D polymers","New Journal of Chemistry","2021","45","16","7117","7128","10.1039/D1NJ00726B","","","1.54184","CuKα","","0.0245","0.0236","","","0.062","0.0626","","","","","","1.052","","","","has coordinates","264918","2021-05-05","08:54:30",""
"7060465","12.446","0.004","13.401","0.005","15.377","0.005","83.756","0.005","75.623","0.004","88.17","0.005","2469.6","1.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78.8 H74.4 Dy6 N38.4 O24 -","- C78.8 H74.4 Dy6 N38.4 O24 -","- C78.8 H74.4 Dy6 N38.4 O24 -","1","0.5","","Li, Hai-Ye; Pang, Xu-Hong; Tao, Ye; Huang, Fu-Ping; Zou, Hua-Hong; Liang, Fu-Pei","Regulating the solution structural integrity and slow magnetic relaxation behavior of two Dy6 clusters with a pyridine‒triazole ligand","New Journal of Chemistry","2021","45","16","7096","7102","10.1039/D1NJ00140J","","","0.71073","MoKα","","0.0277","0.0239","","","0.0625","0.0654","","","","","","1.045","","","","has coordinates,has disorder","264914","2021-05-05","08:53:38",""
"7060466","12.4747","0.0003","13.3828","0.0003","15.3803","0.0004","83.784","0.002","75.381","0.002","88.137","0.002","2469.92","0.11","294.32","0.19","294.32","0.19","","","","","","","","5","P -1","-P 1","2","","","","- C78 H72 Dy6 N41 O22 -","- C78 H72 Dy6 N41 O22 -","- C78 H72 Dy6 N41 O22 -","1","0.5","","Li, Hai-Ye; Pang, Xu-Hong; Tao, Ye; Huang, Fu-Ping; Zou, Hua-Hong; Liang, Fu-Pei","Regulating the solution structural integrity and slow magnetic relaxation behavior of two Dy6 clusters with a pyridine‒triazole ligand","New Journal of Chemistry","2021","45","16","7096","7102","10.1039/D1NJ00140J","","x-ray","0.71073","MoKα","","0.058","0.0368","","","0.0865","0.0948","","","","","","1.039","","","","has coordinates,has disorder","264914","2021-05-05","08:53:38",""
"7060467","11.8929","0.0015","18.115","0.002","21.769","0.003","90","","105.045","0.002","90","","4529.2","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Dy6 N32 O19 -","- C76 H86 Dy6 N32 O19 -","- C152 H172 Dy12 N64 O38 -","2","0.5","","Li, Hai-Ye; Pang, Xu-Hong; Tao, Ye; Huang, Fu-Ping; Zou, Hua-Hong; Liang, Fu-Pei","Regulating the solution structural integrity and slow magnetic relaxation behavior of two Dy6 clusters with a pyridine‒triazole ligand","New Journal of Chemistry","2021","45","16","7096","7102","10.1039/D1NJ00140J","","","0.71073","MoKα","","0.0542","0.0354","","","0.0888","0.1031","","","","","","1.096","","","","has coordinates,has disorder","264914","2021-05-05","08:53:38",""
"7060468","7.9071","0.0002","28.296","0.0006","7.1173","0.0002","90","","115.383","0.004","90","","1438.69","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C64 H56 Cl4 N4 O16 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0382","0.0345","","","0.0898","0.094","","","","","","1.05","","","","has coordinates","264937","2021-05-05","08:59:30",""
"7060469","3.8236","0.0001","26.8722","0.0005","13.2409","0.0002","90","","93.319","0.002","90","","1358.2","0.05","120","0.1","120","0.1","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 Br N2 O5 -","- C14 H9 Br N2 O5 -","- C56 H36 Br4 N8 O20 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0821","0.0826","","","","","","1.05","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060470","5.9378","0.0004","7.3721","0.0007","15.3569","0.0012","90","","96.417","0.007","90","","668.02","0.09","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C32 H32 N4 O4 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.1051","0.0855","","","0.2365","0.2602","","","","","","1.101","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060471","7.5793","0.0015","11.453","0.002","27.652","0.006","90","","90","","90","","2400.4","0.8","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H8 Br N O2 S -","- C12 H8 Br N O2 S -","- C96 H64 Br8 N8 O16 S8 -","8","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.1158","0.0945","","","0.1668","0.1737","","","","","","1.266","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060472","4.2178","0.0002","16.5839","0.0006","10.27","0.0004","90","","93.821","0.004","90","","716.76","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Cl N O4 -","- C16 H14 Cl N O4 -","- C32 H28 Cl2 N2 O8 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0418","0.0391","","","0.1024","0.1061","","","","","","1.077","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060473","13.2417","0.0015","7.6505","0.0007","14.5189","0.0014","90","","111.612","0.012","90","","1367.4","0.3","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.1437","0.0802","","","0.1908","0.2551","","","","","","1.03","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060474","7.9031","0.0016","7.321","0.0015","22.042","0.004","90","","90.25","0.03","90","","1275.3","0.4","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S2 -","- C13 H11 N O2 S2 -","- C52 H44 N4 O8 S8 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.0723","0.0497","","","0.1003","0.1117","","","","","","1.126","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060475","7.1272","0.0002","12.8757","0.0004","7.3763","0.0003","90","","104.703","0.004","90","","654.74","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 F N O2 -","- C16 H12 F N O2 -","- C32 H24 F2 N2 O4 -","2","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0351","0.0334","","","0.0933","0.0962","","","","","","1.063","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060476","10.1458","0.0005","15.8649","0.0006","14.8141","0.0007","90","","102.26","0.005","90","","2330.13","0.19","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br N O2 S -","- C12 H8 Br N O2 S -","- C96 H64 Br8 N8 O16 S8 -","8","2","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","0.71073","MoKα","","0.0564","0.0375","","","0.0724","0.0823","","","","","","1.024","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060477","11.5166","0.0002","12.8669","0.0002","19.7897","0.0003","90","","90.4671","0.0016","90","","2932.4","0.08","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Cl2 N2 O8 -","- C32 H28 Cl2 N2 O8 -","- C128 H112 Cl8 N8 O32 -","4","1","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0429","0.0356","","","0.0901","0.0958","","","","","","1.021","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060478","14.672","0.0003","10.3954","0.0002","18.9716","0.0003","90","","93.264","0.002","90","","2888.88","0.09","121","1","121","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl2 N2 O8 -","- C32 H28 Cl2 N2 O8 -","- C128 H112 Cl8 N8 O32 -","4","0.5","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0377","0.0355","","","0.0957","0.0981","","","","","","1.052","","","","has coordinates,has disorder","264937","2021-05-05","08:59:31",""
"7060479","11.2659","0.0002","7.5074","0.0001","27.4441","0.0004","90","","92.743","0.002","90","","2318.5","0.06","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C104 H88 N8 O16 S8 -","8","2","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0407","0.0338","","","0.0879","0.0929","","","","","","1.045","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060480","11.672","0.0002","11.8172","0.0002","14.791","0.0002","109.528","0.001","103.389","0.001","90.949","0.001","1860.67","0.05","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C90 H78 N6 O18 -","6","3","","Kukkonen, Esa; Lahtinen, Elmeri; Myllyperkiö, Pasi; Haukka, Matti; Konu, Jari","Nonlinear optical properties of diaromatic stilbene, butadiene and thiophene derivatives","New Journal of Chemistry","2021","45","15","6640","6650","10.1039/D1NJ00456E","","x-ray","1.54184","CuKα","","0.0417","0.039","","","0.1076","0.1103","","","","","","1.059","","","","has coordinates","264937","2021-05-05","08:59:31",""
"7060481","8.7795","0.001","10.6638","0.0011","11.6995","0.0013","82.207","0.004","75.761","0.004","79.045","0.004","1037.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl2 O2 Pt S4 -","- C18 H16 Cl2 O2 Pt S4 -","- C36 H32 Cl4 O4 Pt2 S8 -","2","1","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.1058","0.0722","","","0.1508","0.1668","","","","","","1.162","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060482","11.1318","0.0006","17.0266","0.0007","12.4532","0.0007","90","","110.318","0.007","90","","2213.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 Pt S4 -","- C18 H18 Cl2 N2 Pt S4 -","- C72 H72 Cl8 N8 Pt4 S16 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0867","0.0554","","","0.12","0.1327","","","","","","0.958","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060483","11.5072","0.0005","9.7623","0.0003","16.4968","0.0006","90","","109.328","0.004","90","","1748.75","0.12","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl2 N0 O2 Pt S2 -","- C14 H16 Cl2 O2 Pt S2 -","- C56 H64 Cl8 O8 Pt4 S8 -","4","1","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0506","0.0453","","","0.108","0.1105","","","","","","1.125","","","","has coordinates,has disorder","264930","2021-05-05","08:57:02",""
"7060484","6.5766","0.001","14.83","0.002","17.779","0.003","103","0.008","94.315","0.007","90.165","0.007","1684.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 N O5 S2 W -","- C14 H9 N O5 S2 W -","- C56 H36 N4 O20 S8 W4 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0848","0.0537","","","0.1134","0.1241","","","","","","1.039","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060485","27.501","0.002","5.8805","0.0004","11.7976","0.0008","90","","97.085","0.004","90","","1893.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O S2 -","- C9 H9 N O S2 -","- C72 H72 N8 O8 S16 -","8","2","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","1.54178","CuKα","","0.0616","0.0408","","","0.1022","0.1117","","","","","","1.043","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060486","6.928","0.001","13.774","0.002","15.184","0.003","100.047","0.005","96.161","0.005","90.884","0.005","1417.6","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C11 H13 Cl Li0 N O Pt0.5 S2 -","- C11 H13 Cl N O Pt0.5 S2 -","- C44 H52 Cl4 N4 O4 Pt2 S8 -","4","2","","Lamprecht, Zandria; Malan, Frederick P.; Lotz, Simon; Bezuidenhout, Daniela I.","Synthesis and structure of thienyl Fischer carbene complexes of PtII for application in alkyne hydrosilylation","New Journal of Chemistry","2021","45","14","6220","6230","10.1039/D1NJ00791B","","","0.71073","MoKα","","0.0195","0.0181","","","0.0465","0.0469","","","","","","1.055","","","","has coordinates","264930","2021-05-05","08:57:02",""
"7060487","16.1677","0.0004","7.6561","0.0002","17.3557","0.0004","90","","109.196","0.003","90","","2028.87","0.09","140","0.1","140","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Te -","- C27 H20 Te -","- C108 H80 Te4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","0.71073","MoKα","","0.0223","0.0202","","","0.052","0.053","","","","","","1.0435","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060488","15.83567","0.00008","15.85744","0.00008","7.877","0.00003","90","","90","","90","","1978.02","0.016","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H17 N Se -","- C27 H17 N Se -","- C108 H68 N4 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0315","0.0314","","","0.086","0.0861","","","","","","1.05","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060489","9.2854","0.0003","18.7578","0.0006","14.0866","0.0006","90","","103.351","0.004","90","","2387.21","0.15","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Se -","- C34 H22 Se -","- C136 H88 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","0.71073","MoKα","","0.0582","0.0413","","","0.1044","0.1105","","","","","","1.085","","","","has coordinates,has disorder","264915","2021-05-05","08:54:01",""
"7060490","14.4559","0.0001","15.346","0.0001","17.1593","0.0001","92.199","0.001","104.095","0.001","101.54","0.001","3602.16","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C175 H148 Cl2 N2 Se4 Si2 -","- C175 H148 Cl2 N2 Se4 Si2 -","- C175 H148 Cl2 N2 Se4 Si2 -","1","0.5","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0572","0.0535","","","0.1732","0.1791","","","","","","0.999","","","","has coordinates,has disorder","264915","2021-05-05","08:54:01",""
"7060491","9.3198","0.0001","11.5015","0.0002","11.9566","0.0002","73.366","0.001","82.145","0.001","80.121","0.001","1204.59","0.03","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C36 H22 Se -","- C36 H22 Se -","- C72 H44 Se2 -","2","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0338","0.0335","","","0.0946","0.0949","","","","","","1.0395","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060492","15.79929","0.0001","7.77564","0.00004","17.03739","0.00011","90","","108.329","0.0007","90","","1986.85","0.02","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Se -","- C27 H20 Se -","- C108 H80 Se4 -","4","1","","Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey","Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons","New Journal of Chemistry","2021","45","16","7247","7255","10.1039/D1NJ00401H","","x-ray","1.54184","CuKα","","0.0284","0.0278","","","0.0752","0.0756","","","","","","1.037","","","","has coordinates","264915","2021-05-05","08:54:01",""
"7060493","19.9123","0.0018","20.962","0.0018","19.6197","0.0017","90","","90","","90","","8189.3","1.2","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C83 H75 Ag3 F6 O6 P6 S2 -","- C83 H75 Ag3 F6 O6 P6 S2 -","- C332 H300 Ag12 F24 O24 P24 S8 -","4","0.5","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0843","0.054","","","0.1225","0.1383","","","","","","1.045","","","","has coordinates,has disorder","266122","2021-06-05","19:18:33",""
"7060494","13.067","0.0006","22.5859","0.0011","14.0988","0.0006","90","","114.929","0.001","90","","3773.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C78 H72 Ag3 F3 O8 P6 S -","- C78 H70 Ag3 F3 O8 P6 S -","- C156 H140 Ag6 F6 O16 P12 S2 -","2","0.5","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0461","0.0366","","","0.0806","0.0882","","","","","","1.094","","","","has coordinates,has disorder","266122","2021-06-05","19:18:33",""
"7060495","19.7589","0.0014","23.184","0.0016","18.9443","0.0015","90","","94.853","0.002","90","","8647.1","1.1","296","2","296","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C85 H87 Ag3 Cl2 F3 N3 O6 P6 S -","- C85 H87 Ag3 Cl2 F3 N3 O6 P6 S -","- C340 H348 Ag12 Cl8 F12 N12 O24 P24 S4 -","4","1","","Han, Chu-Xia; Shao, Zi-Mo; Li, Li; Zhou, Kun; Xue, Chun-Hui; Chen, Bao-Kuan; Ji, Jiu-Yu; Bi, Yan-Feng","Trinuclear cationic silver nanoclusters based-on bis-(phosphine) ligands and stabilized by CF3SO3− anions","New Journal of Chemistry","2021","45","17","7555","7563","10.1039/D1NJ00873K","","","0.71073","MoKα","","0.0563","0.0388","","","0.0931","0.1026","","","","","","1.008","","","","has coordinates","266122","2021-06-05","19:18:33",""
"7060496","19.215","0.0005","7.7578","0.0003","6.2397","0.0002","90","","90","","90","","930.13","0.05","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- F7 H10 N3 O3 Ru Si -","- F7 H10 N3 O3 Ru Si -","- F28 H40 N12 O12 Ru4 Si4 -","4","0.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0284","0.0272","","","0.0542","0.0546","","","","","","1.262","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060497","18.3073","0.0008","8.3396","0.0003","10.2007","0.0004","90","","104.729","0.002","90","","1506.22","0.1","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H13 Cl2 F N4 O10 Ru -","- C5 H13 Cl2 F N4 O10 Ru -","- C20 H52 Cl8 F4 N16 O40 Ru4 -","4","1","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0489","0.0404","","","0.0785","0.0821","","","","","","1.123","","","","has coordinates,has disorder","266148","2021-06-05","19:22:56",""
"7060498","6.7669","0.0003","9.2867","0.0004","11.445","0.0006","103.78","0.002","101.152","0.002","103.764","0.002","654.19","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H26 F8 N10 O10 Ru2 Si -","- C10 H26 F8 N10 O10 Ru2 Si -","- C10 H26 F8 N10 O10 Ru2 Si -","1","0.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","","0.71073","MoKα","","0.0285","0.0238","","","0.0442","0.0458","","","","","","1.056","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060499","18.6327","0.0008","13.8821","0.0005","10.4352","0.0005","90","","96.73","0.004","90","","2680.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6.67 H16.67 Cl2 F1.33 N5.33 O10.67 Ru1.33 -","- C6.66667 H16.6667 Cl2 F1.33333 N5.33333 O10.6667 Ru1.33333 -","- C40 H100 Cl12 F8 N32 O64 Ru8 -","6","1.5","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","Nitrosyl linkage photoisomerization in heteroleptic fluoride ruthenium complexes derived from labile nitrate precursors","New Journal of Chemistry","2021","45","18","8192","8202","10.1039/D1NJ01038G","","x-ray","0.71073","MoKα","","0.0701","0.0395","","","0.0758","0.0924","","","","","","1.071","","","","has coordinates","266148","2021-06-05","19:22:56",""
"7060500","9.9515","0.0008","13.1974","0.0006","14.5739","0.0009","107.7","0.005","107.784","0.007","90.635","0.005","1724.9","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 N6 Ni O8 -","- C35 H36 N6 Ni O8 -","- C70 H72 N12 Ni2 O16 -","2","1","","Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.","Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins","New Journal of Chemistry","2021","45","15","6693","6708","10.1039/D0NJ06210C","","","0.71073","MoKα","","0.0879","0.0595","","","0.1483","0.1696","","","","","","1.034","","","","has coordinates","264936","2021-05-05","08:58:29",""
"7060501","8.097","0.0015","9.837","0.0014","15.489","0.002","98.035","0.011","95.492","0.014","93.658","0.014","1212.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H26 N4 Ni O4 -","- C29 H26 N4 Ni O4 -","- C58 H52 N8 Ni2 O8 -","2","1","","Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.","Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins","New Journal of Chemistry","2021","45","15","6693","6708","10.1039/D0NJ06210C","","","0.71073","MoKα","","0.1384","0.0946","","","0.2327","0.2876","","","","","","1.017","","","","has coordinates","264936","2021-05-05","08:58:30",""
"7060502","14.3041","0.0018","25.146","0.002","11.4595","0.0015","90","","111.123","0.014","90","","3844.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 N6 Ni O11 -","- C37 H38 N6 Ni O11 -","- C148 H152 N24 Ni4 O44 -","4","0.5","","Kumar, Manish; Lal, Neetika; Luthra, Pratibha Mehta; Masram, Dhanraj T.","Exploring the binding and cleavage activities of nickelII complexes towards DNA and proteins","New Journal of Chemistry","2021","45","15","6693","6708","10.1039/D0NJ06210C","","","0.71073","MoKα","","0.1048","0.0769","","","0.1912","0.2285","","","","","","1.04","","","","has coordinates","264936","2021-05-05","08:58:30",""
"7060503","28.555","0.005","4.9529","0.0008","21.68","0.004","90","","118.805","0.005","90","","2686.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H9 N11 O7 -","- C6 H9 N11 O7 -","- C48 H72 N88 O56 -","8","1","","Gu, Hao; Cheng, Guangbin; Yang, Hongwei","Tricyclic nitrogen-rich explosives with a planar backbone: bis(1,2,4-triazolyl)-1,2,3-triazoles as potential stable green gas generants","New Journal of Chemistry","2021","45","17","7758","7765","10.1039/D1NJ00076D","","","0.71073","MoKα","","0.1154","0.0666","","","0.147","0.1683","","","","","","1.052","","","","has coordinates","266125","2021-06-05","19:18:49",""
"7060504","10.2923","0.0018","10.3806","0.0018","17.587","0.003","81.484","0.003","75.196","0.003","77.313","0.003","1763.8","0.5","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","Compound 1","","- C24 H44 Cd3 Mo12 N12 O58 P2 -","- C24 H44 Cd3 Mo12 N12 O58 P2 -","- C24 H44 Cd3 Mo12 N12 O58 P2 -","1","0.5","","Yu, Haiyan; Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","{PMo6O24N4} subunit functionalized by organonitrogen through Mo‒N bonds: hydrothermal synthesis, structure, photocatalytic, and fluorescence sensing properties","New Journal of Chemistry","2021","45","18","7942","7945","10.1039/D1NJ00887K","","","0.71073","MoKα","","0.0793","0.0543","","","0.143","0.1642","","","","","","1.041","","","","has coordinates","266147","2021-06-05","19:22:48",""
"7060505","8.2837","0.0001","16.1677","0.0003","16.6633","0.0003","90","","93.001","0.001","90","","2228.63","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 B2 N2 S3 -","- C50 H48 B2 N2 S3 -","- C100 H96 B4 N4 S6 -","2","0.5","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","0.71073","MoKα","","0.0793","0.057","","","0.1579","0.1707","","","","","","1.02","","","","has coordinates","268875","2021-09-06","12:05:55",""
"7060506","17.1329","0.0004","8.2168","0.0002","19.5322","0.0004","90","","113.342","0.0013","90","","2524.65","0.1","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H58 B2 S4 -","- C57 H58 B2 S4 -","- C114 H116 B4 S8 -","2","0.5","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","0.71073","MoKα","","0.0867","0.0482","","","0.1272","0.1511","","","","","","1.027","","","","has coordinates,has disorder","268875","2021-09-06","12:05:56",""
"7060507","7.9979","0.0001","11.7834","0.0002","13.5026","0.0002","96.215","0.001","93.895","0.001","100.22","0.001","1240.02","0.03","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 B S2 -","- C30 H29 B S2 -","- C60 H58 B2 S4 -","2","1","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","0.71073","MoKα","","0.0375","0.0347","","","0.0949","0.0977","","","","","","1.019","","","","has coordinates,has disorder","268875","2021-09-06","12:05:56",""
"7060508","42.4881","0.0014","15.1359","0.0005","8.0769","0.0002","90","","92.305","0.003","90","","5190","0.3","297.15","","297.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 B2 S4 -","- C54 H52 B2 S4 -","- C216 H208 B8 S16 -","4","0.5","","Zhou, Senhao; Zhang, Shiqian; Li, Jinsong; Liu, Zhiqiang; Yu, Xiaoqiang","Syntheses, structures, and one- and two-photon excited fluorescence of dimesitylboryl-ended quadrupolar hybrid oligothiophenes","New Journal of Chemistry","2021","45","33","15035","15042","10.1039/D1NJ00694K","","","1.54184","CuKα","","0.0947","0.0839","","","0.1935","0.1977","","","","","","1.175","","","","has coordinates,has disorder","268875","2021-09-06","12:05:56",""
"7060509","21.2514","0.0003","16.3136","0.0003","36.1817","0.0006","90","","90","","90","","12543.7","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C78 H70 N2 O2 -","- C78 H70 N2 O2 -","- C624 H560 N16 O16 -","8","1","","Zhang, Guang-Wei; Xiang, Jia-Yin; Zhong, Tao-Tao; Zhi, Xin-Ru; Gao, Chuang; Huang, Wei; Yuan, Shuai; Xie, Ling-Hai; Huang, Wei","Iodide ion receptors: shape-persistent macrocycles of syn/anti configurations","New Journal of Chemistry","2021","45","15","6796","6802","10.1039/D1NJ00247C","","","1.54178","CuKα","","0.1597","0.1405","","","0.257","0.2653","","","","","","1.063","","","","has coordinates,has disorder","264934","2021-05-05","08:57:48",""
"7060510","7.3527","0.0008","12.8535","0.0014","13.2223","0.0015","75.187","0.002","79.635","0.002","86.841","0.002","1188.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl Cu N4 O5 -","- C25 H19 Cl Cu N4 O5 -","- C50 H38 Cl2 Cu2 N8 O10 -","2","1","","Sangeetha, Somasundaram; Ajaykamal, Tamilarasan; Murali, Mariappan","Copper(ii) complexes of 2-methyl-8-hydroxyquinoline and tri/diimine co-ligand: DFT calculations, DNA and BSA binding, DNA cleavage, cytotoxicity and induction of apoptosis","New Journal of Chemistry","2021","45","17","7578","7593","10.1039/D1NJ00392E","","","0.71069","MoKα","","0.0481","0.0341","","","0.089","0.0939","","","","","","1.006","","","","has coordinates","266123","2021-06-05","19:18:38",""
"7060511","8.8312","0.0018","16.467","0.003","24.385","0.005","89.63","0.03","87.94","0.03","89.72","0.03","3543.7","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H61 N8 O4 -","- C96 H61 N8 O4 -","- C192 H122 N16 O8 -","2","1","","Tehrani, Tahereh; Meghdadi, Soraia; Salarvand, Zohreh; Tavakoli, Behnam; Eskandari, Kiamars; Amirnasr, Mehdi","An anthracene‒quinoline based dual-mode fluorometric‒colorimetric sensor for the detection of Fe3+ and its application in live cell imaging","New Journal of Chemistry","2021","45","18","8109","8117","10.1039/D1NJ00178G","","","0.71073","MoKα","","0.4154","0.0565","","","0.0691","0.1089","","","","","","0.504","","","","has coordinates","266144","2021-06-05","19:22:10",""
"7060512","10.8731","0.0013","12.7566","0.0016","14.5064","0.0019","66.069","0.012","86.317","0.01","85.015","0.01","1831.2","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H28 F6 N2 O2 -","- C45 H28 F6 N2 O2 -","- C90 H56 F12 N4 O4 -","2","1","","Moshkina, Tatyana N.; Nosova, Emiliya V.; Lipunova, Galina N.; Zhilina, Ekaterina F.; Slepukhin, Pavel A.; Nikonov, Igor L.; Charushin, Valery N.","The Rh(iii)-catalysed C‒H/N‒H annulation of 2-thienyl- and 2-phenyl-quinazolin-4(3H)-ones with diphenylacetylene","New Journal of Chemistry","2021","45","19","8456","8466","10.1039/D1NJ00935D","","","0.71073","MoKα","","0.1986","0.0718","","","0.1256","0.1826","","","","","","1.001","","","","has coordinates","266128","2021-06-05","19:19:10",""
"7060513","8.9557","0.0007","9.9486","0.0008","22.5422","0.0017","98.812","0.006","91.216","0.006","97.59","0.006","1965.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 N2 O S -","- C26 H16 N2 O S -","- C104 H64 N8 O4 S4 -","4","2","","Moshkina, Tatyana N.; Nosova, Emiliya V.; Lipunova, Galina N.; Zhilina, Ekaterina F.; Slepukhin, Pavel A.; Nikonov, Igor L.; Charushin, Valery N.","The Rh(iii)-catalysed C‒H/N‒H annulation of 2-thienyl- and 2-phenyl-quinazolin-4(3H)-ones with diphenylacetylene","New Journal of Chemistry","2021","45","19","8456","8466","10.1039/D1NJ00935D","","","0.71073","MoKα","","0.1891","0.074","","","0.1492","0.2254","","","","","","1.001","","","","has coordinates","266128","2021-06-05","19:19:10",""
"7060514","12.3877","0.0011","13.2907","0.0012","14.7438","0.0013","105.626","0.008","107.407","0.008","103.726","0.008","2093","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15 Br N2 O S -","- C26 H15 Br N2 O S -","- C104 H60 Br4 N8 O4 S4 -","4","2","","Moshkina, Tatyana N.; Nosova, Emiliya V.; Lipunova, Galina N.; Zhilina, Ekaterina F.; Slepukhin, Pavel A.; Nikonov, Igor L.; Charushin, Valery N.","The Rh(iii)-catalysed C‒H/N‒H annulation of 2-thienyl- and 2-phenyl-quinazolin-4(3H)-ones with diphenylacetylene","New Journal of Chemistry","2021","45","19","8456","8466","10.1039/D1NJ00935D","","","0.71073","MoKα","","0.1786","0.0624","","","0.1255","0.1862","","","","","","0.982","","","","has coordinates","266128","2021-06-05","19:19:10",""
"7060515","11.2427","0.0005","11.4819","0.0005","13.5468","0.0006","88.6303","0.0015","73.6805","0.0014","69.6071","0.0014","1567.75","0.12","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N3 O4 S2 -","- C29 H27 N3 O4 S2 -","- C58 H54 N6 O8 S4 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.062","0.044","","","0.1078","0.116","","","","","","1.052","","","","has coordinates","266146","2021-06-05","19:22:42",""
"7060516","9.3658","0.0008","10.3049","0.0009","17.1465","0.0014","90","","95.426","0.003","90","","1647.5","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H36 N4 O4 S -","- C38 H36 N4 O4 S -","- C76 H72 N8 O8 S2 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0998","0.0497","","","0.096","0.1106","","","","","","1.019","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060517","18.215","0.004","11.451","0.002","16.453","0.004","90","","114.201","0.007","90","","3130.2","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl3 N3 O3 S -","- C32 H30 Cl3 N3 O3 S -","- C128 H120 Cl12 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.2292","0.0842","","","0.1953","0.233","","","","","","0.981","","","","has coordinates,has disorder","266146","2021-06-05","19:22:43",""
"7060518","10.1091","0.0005","23.119","0.0011","21.9291","0.001","90","","100.109","0.002","90","","5045.5","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 N3 O4 S -","- C29 H23 N3 O4 S -","- C232 H184 N24 O32 S8 -","8","2","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1657","0.0677","","","0.1207","0.1531","","","","","","1.027","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060519","19.0749","0.0018","11.6066","0.0011","16.6701","0.0016","90","","110.707","0.003","90","","3452.3","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl N3 O3 S -","- C34 H26 Cl N3 O3 S -","- C136 H104 Cl4 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1693","0.0777","","","0.2001","0.2471","","","","","","1.036","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060520","10.4585","0.0009","12.007","0.001","12.6704","0.0011","88.734","0.003","69.342","0.003","71.811","0.003","1407.4","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cl N3 O3 S -","- C34 H24 Cl N3 O3 S -","- C68 H48 Cl2 N6 O6 S2 -","2","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0813","0.048","","","0.1135","0.1289","","","","","","1.053","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060521","14.1938","0.0009","12.7868","0.0008","15.7009","0.001","90","","93.515","0.002","90","","2844.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N3 O3 S -","- C34 H27 N3 O3 S -","- C136 H108 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1021","0.0492","","","0.0974","0.1153","","","","","","1.005","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060522","17.9592","0.0012","9.9378","0.0006","19.4608","0.0014","90","","90.563","0.002","90","","3473.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl N3 O4 S -","- C29 H22 Cl N3 O4 S -","- C116 H88 Cl4 N12 O16 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1498","0.0862","","","0.2566","0.2964","","","","","","1.043","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060523","12.9608","0.001","13.9494","0.0012","17.7301","0.0013","90","","93.761","0.003","90","","3198.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 Cl N3 O3 S -","- C31 H28 Cl N3 O3 S -","- C124 H112 Cl4 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1249","0.0613","","","0.1444","0.1758","","","","","","1.009","","","","has coordinates,has disorder","266146","2021-06-05","19:22:43",""
"7060524","9.7808","0.0011","17.785","0.002","20.68","0.002","113.688","0.003","98.967","0.003","96.146","0.004","3196.2","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 Cl N3 O4 S -","- C30 H24 Cl N3 O4 S -","- C120 H96 Cl4 N12 O16 S4 -","4","2","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1246","0.07","","","0.2008","0.2209","","","","","","1.09","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060525","15.8114","0.0008","10.6093","0.0004","17.0189","0.0008","90","","94.8582","0.0016","90","","2844.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N3 O3 S -","- C34 H27 N3 O3 S -","- C136 H108 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1264","0.0526","","","0.1023","0.1271","","","","","","1.011","","","","has coordinates,has disorder","266146","2021-06-05","19:22:43",""
"7060526","14.3167","0.001","13.2208","0.0009","16.1888","0.0012","90","","96.612","0.002","90","","3043.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 N3 O3 S -","- C35 H29 N3 O3 S -","- C140 H116 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.1277","0.0562","","","0.1208","0.148","","","","","","1.015","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060527","14.0329","0.0015","11.9896","0.0012","15.9331","0.0015","90","","106.258","0.003","90","","2573.5","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F N3 O4 S -","- C29 H26 F N3 O4 S -","- C116 H104 F4 N12 O16 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.0919","0.0482","","","0.0971","0.1137","","","","","","1.019","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060528","11.69","0.003","16.755","0.005","15.859","0.005","90","","96.458","0.01","90","","3086.5","1.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl2 F N3 O3 S -","- C35 H26 Cl2 F N3 O3 S -","- C140 H104 Cl8 F4 N12 O12 S4 -","4","1","","Pan, Liu-Na; Wang, Qing; Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Molecular diversity of the acid promoted domino reaction of 3-hydroxy-3-(indol-3-yl)indolin-2-ones and cyclic mercapto-substituted β-enamino esters","New Journal of Chemistry","2021","45","18","8314","8320","10.1039/D1NJ00947H","","","0.71073","MoKα","","0.2346","0.088","","","0.1763","0.2354","","","","","","1.007","","","","has coordinates","266146","2021-06-05","19:22:43",""
"7060529","4.7279","0.0003","14.6599","0.001","19.2246","0.0013","102.236","0.0008","95.5377","0.0008","92.5611","0.0009","1293.21","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","ethyl (2,3-diiodo-5-methoxyphenyl)carbamate","","- C10 H11 I2 N O3 -","- C10 H11 I2 N O3 -","- C40 H44 I8 N4 O12 -","4","2","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Al-Zoubi, Mazhar S.; McDonald, Robert; Zarour, Ahmad; Yassin, Aksam; Al-Ansari, Abdulla","Copper(i)-catalyzed regioselective Ullmann-type coupling of primary carbamates and 5-substituted-1,2,3-triiodobenzenes: facile synthesis of 2,3-diiodinated N-aryl carbamates","New Journal of Chemistry","2021","45","19","8432","8439","10.1039/D1NJ01332G","","","0.71073","MoKα","","0.0334","0.0272","","","0.063","0.0665","","","","","","1.06","","","","has coordinates","266127","2021-06-05","19:19:04",""
"7060530","12.23","0.003","13.783","0.004","7.0214","0.0018","90","","99.948","0.003","90","","1165.8","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl (2,3-diiodophenyl)carbamate","","- C9 H9 I2 N O2 -","- C9 H9 I2 N O2 -","- C36 H36 I8 N4 O8 -","4","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Al-Zoubi, Mazhar S.; McDonald, Robert; Zarour, Ahmad; Yassin, Aksam; Al-Ansari, Abdulla","Copper(i)-catalyzed regioselective Ullmann-type coupling of primary carbamates and 5-substituted-1,2,3-triiodobenzenes: facile synthesis of 2,3-diiodinated N-aryl carbamates","New Journal of Chemistry","2021","45","19","8432","8439","10.1039/D1NJ01332G","","","0.71073","MoKα","","0.0442","0.0385","","","0.1045","0.1126","","","","","","1.12","","","","has coordinates","266127","2021-06-05","19:19:04",""
"7060531","9.5371","0.0002","31.4251","0.0007","13.4381","0.0004","90","","110.781","0.0012","90","","3765.44","0.16","220","","220","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O4 S2 -","- C42 H50 O4 S2 -","- C168 H200 O16 S8 -","4","1","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.54178","CuKα","","0.0797","0.0709","","0.186","0.1795","0.186","","","","","","1.0354","","","","has coordinates","266136","2021-06-05","19:20:12",""
"7060532","14.194","0.0005","12.1754","0.0004","10.6117","0.0004","90","","92.5237","0.0015","90","","1832.11","0.11","180","","180","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 O4 S2 -","- C42 H48 O4 S2 -","- C84 H96 O8 S4 -","2","0.5","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.54178","CuKα","","0.0448","0.0386","","0.1077","0.1041","0.1077","","","","","","0.9929","","","","has coordinates","266136","2021-06-05","19:20:12",""
"7060533","16.2615","0.0004","25.821","0.0006","19.9165","0.0004","90","","110.39","0.0009","90","","7838.7","0.3","180","","180","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H98 Cl2 O8 S4 -","- C85 H98.0008 Cl2.0008 O8 S4 -","- C340 H392.003 Cl8.0032 O32 S16 -","4","0.5","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.5418","CuKα","","0.0486","0.0446","","0.124","0.1191","0.124","","","","","","0.9527","","","","has coordinates,has disorder","266136","2021-06-05","19:20:12",""
"7060534","12.5766","0.0004","13.5696","0.0004","13.9792","0.0004","81.791","0.0014","89.8885","0.0013","67.488","0.0012","2177.68","0.12","180","","180","","","","101","","","","","6","P -1","-P 1","2","","","","- C45 H54 Cl3 N O4 S2 -","- C45 H54 Cl3 N O4 S2 -","- C90 H108 Cl6 N2 O8 S4 -","2","1","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.5418","CuKα","","0.061","0.0573","","0.1683","0.1635","0.1683","","","","","","0.9828","","","","has coordinates,has disorder","266136","2021-06-05","19:20:12",""
"7060535","15.2741","0.0004","10.5413","0.0003","11.1715","0.0003","90","","92.323","0.002","90","","1797.23","0.08","95","","95","","","","101","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 O4 S2 -","- C42 H48 O4 S2 -","- C84 H96 O8 S4 -","2","0.5","","Kortus, D.; Eigner, V.; Lhoták, P.","Regio- and stereoselectivity of spirodienone formation in 2,14-dithiacalix[4]arene","New Journal of Chemistry","2021","45","19","8563","8571","10.1039/D1NJ01257F","","","1.54184","CuKα","","0.0928","0.0925","","0.2797","0.2796","0.2797","","","","","","1.032","","","","has coordinates","266136","2021-06-05","19:20:12",""
"7060536","7.2429","0.0017","16.825","0.004","10.555","0.003","90","","90","","90","","1286.3","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H3 La O11 S -","- C8 H3 La O11 S -","- C32 H12 La4 O44 S4 -","4","1","","Kanti Das, Sabuj; Ghosh, Anirban; Bhattacharjee, Sudip; Chowdhury, Avik; Mitra, Partha; Bhaumik, Asim","A new 2D lanthanum based microporous MOF for efficient synthesis of cyclic carbonates through CO2 fixation","New Journal of Chemistry","2021","45","20","9189","9196","10.1039/D1NJ00601K","","","0.71073","MoKα","","0.0237","0.0217","","","0.0545","0.0556","","","","","","1.093","","","","has coordinates","266142","2021-06-05","19:21:50",""
"7060537","16.884","0.009","11.505","0.006","19.587","0.01","90","","94.634","0.009","90","","3792","3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N7 O6 P3 -","- C42 H30 N7 O6 P3 -","- C168 H120 N28 O24 P12 -","4","1","","Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","ESIPT on/off switching and crystallization-enhanced emission properties of new design phenol-pyrazole modified cyclotriphosphazenes","New Journal of Chemistry","2021","45","19","8492","8505","10.1039/D1NJ00894C","","","0.71073","MoKα","","0.0862","0.0454","","","0.0997","0.1141","","","","","","0.947","","","","has coordinates","266132","2021-06-05","19:19:40",""
"7060538","12.254","0.003","42.772","0.013","7.706","0.0019","90","","121.915","0.019","90","","3428.4","1.7","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H22 N5 O5 P3 -","- C33 H22 N5 O5 P3 -","- C132 H88 N20 O20 P12 -","4","1","","Mutlu Balcı, Ceylan; Tümay, Süreyya Oğuz; Beşli, Serap","ESIPT on/off switching and crystallization-enhanced emission properties of new design phenol-pyrazole modified cyclotriphosphazenes","New Journal of Chemistry","2021","45","19","8492","8505","10.1039/D1NJ00894C","","","0.71073","MoKα","","0.1953","0.0647","","","0.1138","0.1539","","","","","","0.886","","","","has coordinates","266132","2021-06-05","19:19:40",""
"7060539","12.6038","0.0002","8.2717","0.0002","18.3638","0.0004","90","","109.109","0.0012","90","","1809.02","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N2 O2 -","- C24 H18 N2 O2 -","- C96 H72 N8 O8 -","4","1","","Tabasi, Zahra A.; Walsh, Joshua C.; Bodwell, Graham J.; Thompson, David W.; Zhao, Yuming","Comparative study of the photophysical and crystallographic properties of 4-(9H-pyreno[4,5-d]imidazol-10-yl)phenol and its alkylated derivatives","New Journal of Chemistry","2021","45","17","7647","7658","10.1039/D1NJ01102B","","","1.54178","CuKα","","0.0464","0.0425","","","0.1273","0.1314","","","","","","1.079","","","","has coordinates","266124","2021-06-05","19:18:44",""
"7060540","9.4376","0.0003","11.2292","0.0004","17.0583","0.0006","90.117","0.002","93.94","0.002","101.967","0.002","1764.07","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H54 N2 O -","- C43 H54 N2 O -","- C86 H108 N4 O2 -","2","1","","Tabasi, Zahra A.; Walsh, Joshua C.; Bodwell, Graham J.; Thompson, David W.; Zhao, Yuming","Comparative study of the photophysical and crystallographic properties of 4-(9H-pyreno[4,5-d]imidazol-10-yl)phenol and its alkylated derivatives","New Journal of Chemistry","2021","45","17","7647","7658","10.1039/D1NJ01102B","","","1.54178","CuKα","","0.0667","0.0555","","","0.1488","0.1633","","","","","","1.017","","","","has coordinates","266124","2021-06-05","19:18:44",""
"7060541","8.9659","0.0003","8.9998","0.0003","19.2836","0.0007","87.414","0.003","79.965","0.003","63.475","0.003","1369.99","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H38 N2 O3 -","- C33 H38 N2 O3 -","- C66 H76 N4 O6 -","2","1","","Tabasi, Zahra A.; Walsh, Joshua C.; Bodwell, Graham J.; Thompson, David W.; Zhao, Yuming","Comparative study of the photophysical and crystallographic properties of 4-(9H-pyreno[4,5-d]imidazol-10-yl)phenol and its alkylated derivatives","New Journal of Chemistry","2021","45","17","7647","7658","10.1039/D1NJ01102B","","x-ray","1.54184","CuKα","","0.055","0.0479","","","0.1304","0.1371","","","","","","1.058","","","","has coordinates","266124","2021-06-05","19:18:44",""
"7060542","11.3307","0.0007","7.8416","0.0007","11.397","0.001","90","","116.681","0.005","90","","904.81","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 F10 N2 O2 -","- C22 H6 F10 N2 O2 -","- C44 H12 F20 N4 O4 -","2","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives","New Journal of Chemistry","2021","45","19","8647","8653","10.1039/D1NJ01132D","","x-ray","0.71073","MoKα","","","0.0391","","","","0.1156","","","","","","1.066","","","","has coordinates","266130","2021-06-05","19:19:27",""
"7060543","11.334","0.003","12.585","0.001","12.741","0.003","69.48","0.01","66.48","0.02","63.37","0.01","1456.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H10 F15 N3 O2 -","- C32 H10 F15 N3 O2 -","- C64 H20 F30 N6 O4 -","2","1","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives","New Journal of Chemistry","2021","45","19","8647","8653","10.1039/D1NJ01132D","","x-ray","0.71073","MoKα","","","0.0739","","","","0.1699","","","","","","1.074","","","","has coordinates","266130","2021-06-05","19:19:27",""
"7060544","6.537","0.004","10.866","0.003","11.701","0.009","71.27","0.06","89.53","0.06","78.96","0.04","771.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H4 F20 N2 O2 -","- C36 H4 F20 N2 O2 -","- C36 H4 F20 N2 O2 -","1","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Preponderant role of pentafluorophenyl moieties for tuning the electronic properties of extended benzodifuran-azomethine derivatives","New Journal of Chemistry","2021","45","19","8647","8653","10.1039/D1NJ01132D","","x-ray","0.71073","MoKα","","","0.0849","","","","0.2205","","","","","","1.01","","","","has coordinates","266130","2021-06-05","19:19:27",""
"7060545","14.5085","0.0011","6.9929","0.0005","14.8594","0.0012","90","","90.31","0.002","90","","1507.6","0.2","127","2","127","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C64 H56 Cl8 N8 O8 -","4","1","","Kumar, Rahul; Rawat, Deepa; Semwal, Rashmi; Badhani, Gaurav; Adimurthy, Subbarayappa","Hypervalent iodine mediated synthesis of imidazo[1,2-a]pyridine ethers: consecutive methylene linkage and insertion of ethylene glycol","New Journal of Chemistry","2021","45","17","7491","7495","10.1039/D1NJ00657F","","","0.71073","Mokα","","0.0761","0.0643","","","0.1718","0.183","","","","","","1.053","","","","has coordinates","266120","2021-06-05","19:18:12",""
"7060546","12.8331","0.0012","14.2244","0.0013","15.4895","0.0015","63.296","0.003","72.834","0.003","77.698","0.003","2402.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H63 Cl2 N6 Ni2 O16.5 -","- C39 H62.66 Cl2 N6 Ni2 O16.33 -","- C78 H125.32 Cl4 N12 Ni4 O32.66 -","2","1","","Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan","A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes","New Journal of Chemistry","2021","45","17","7602","7613","10.1039/D1NJ00708D","","","0.71073","MoKα","","0.0456","0.0321","","","0.0726","0.0794","","","","","","1.027","","","","has coordinates","266121","2021-06-05","19:18:20",""
"7060547","9.268","0.0004","11.2105","0.0004","18.8811","0.0007","87.895","0.002","78.99","0.002","77.785","0.002","1882.01","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 N10 Ni2 O2 S4 -","- C29 H48 N10 Ni2 O2 S4 -","- C58 H96 N20 Ni4 O4 S8 -","2","1","","Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan","A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes","New Journal of Chemistry","2021","45","17","7602","7613","10.1039/D1NJ00708D","","","0.71073","MoKα","","0.0326","0.0248","","","0.0587","0.0623","","","","","","1.04","","","","has coordinates,has disorder","266121","2021-06-05","19:18:21",""
"7060548","18.1138","0.0011","9.9392","0.0006","19.5105","0.001","90","","108.764","0.002","90","","3325.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Cl2 N6 Ni2 O10 -","- C25 H46 Cl2 N6 Ni2 O10 -","- C100 H184 Cl8 N24 Ni8 O40 -","4","1","","Jana, Narayan Ch.; Jagličić, Zvonko; Brandão, Paula; Adak, Sarmistha; Saha, Amrita; Panja, Anangamohan","A novel triple aqua-, phenoxo- and carboxylato-bridged dinickel(ii) complex, its magnetic properties, and comparative biomimetic catalytic studies with analogous dinickel(ii) complexes","New Journal of Chemistry","2021","45","17","7602","7613","10.1039/D1NJ00708D","","","0.71073","MoKα","","0.0441","0.0292","","","0.0648","0.0706","","","","","","1.051","","","","has coordinates,has disorder","266121","2021-06-05","19:18:21",""
"7060549","8.6572","0.0001","16.2902","0.0002","14.7873","0.0002","90","","104.282","0.001","90","","2020.96","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Dy N4 -","- C18 H18 Cl3 Dy N4 -","- C72 H72 Cl12 Dy4 N16 -","4","1","","Zhang, Chunyang; Cheng, Zhijie; Tan, Pengfei; Lv, Wei; Cui, Huihui; Chen, Lei; Cai, Xingwei; Zhao, Yuyuan; Yuan, Aihua","Tuning the ligand field in seven-coordinate Dy(iii) complexes to perturb single-ion magnet behavior","New Journal of Chemistry","2021","45","19","8591","8596","10.1039/D1NJ00734C","","","0.71073","MoKα","","0.0249","0.0195","","","0.0449","0.0471","","","","","","1.093","","","","has coordinates","266131","2021-06-05","19:19:33",""
"7060550","14.1946","0.0004","14.768","0.0005","22.1787","0.0007","90.549","0.002","105.428","0.002","102.299","0.002","4368","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H50 Cl14 Dy2 N14 O18 -","- C73 H50 Cl14 Dy2 N14 O18 -","- C146 H100 Cl28 Dy4 N28 O36 -","2","1","","Zhang, Chunyang; Cheng, Zhijie; Tan, Pengfei; Lv, Wei; Cui, Huihui; Chen, Lei; Cai, Xingwei; Zhao, Yuyuan; Yuan, Aihua","Tuning the ligand field in seven-coordinate Dy(iii) complexes to perturb single-ion magnet behavior","New Journal of Chemistry","2021","45","19","8591","8596","10.1039/D1NJ00734C","","","0.71073","MoKα","","0.0773","0.0415","","","0.0865","0.0976","","","","","","0.968","","","","has coordinates","266131","2021-06-05","19:19:33",""
"7060551","8.9905","0.0007","14.538","0.001","21.7767","0.0015","90","","90.917","0.002","90","","2845.9","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Yttrium-organic Compound","","","- C21 H9 N3 O21 Y2 -","- C21 H9 N3 O21 Y2 -","- C84 H36 N12 O84 Y8 -","4","1","","Hui, Sayani; Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Mondal, Sudip Kumar; Mahata, Partha","pH response of a hydroxyl-functionalized luminescent metal‒organic framework based phosphor","New Journal of Chemistry","2021","45","21","9394","9402","10.1039/D1NJ00366F","","","0.71073","MoKα","","0.0466","0.0359","","","0.0978","0.1085","","","","","","1.096","","","","has coordinates","266150","2021-06-05","19:23:08",""
"7060552","12.0457","0.0006","13.8112","0.0006","14.5205","0.0006","90","","92.314","0.002","90","","2413.74","0.19","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Br Cl3 N2 O -","- C25 H19 Br Cl3 N2 O -","- C100 H76 Br4 Cl12 N8 O4 -","4","1","","Devi, Manju; Jadhav, Amol P.; Singh, Ravi P.","KOH-mediated stereoselective alkylation of 3-bromooxindoles for the synthesis of 3,3′-disubstituted oxindoles with two contiguous all carbon quaternary centres","New Journal of Chemistry","2021","45","19","8445","8448","10.1039/D0NJ06283A","","","0.71073","MoKα","","0.1097","0.0898","","","0.2211","0.2348","","","","","","1.46","","","","has coordinates","266126","2021-06-05","19:18:58",""
"7060553","22.46","0.03","10.229","0.015","18.36","0.03","90","","90","","90","","4218","11","153.15","","153.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Gd N3 O15 -","- C33 H62 Co Gd N3 O15 -","- C132 H248 Co4 Gd4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0439","0.0383","","","0.0763","0.0785","","","","","","1.072","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060554","22.6276","0.0016","10.2921","0.0007","18.4487","0.0013","90","","90","","90","","4296.4","0.5","150.15","","150.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Dy N3 O15 -","- C33 H62 Co Dy N3 O15 -","- C132 H248 Co4 Dy4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0634","0.056","","","0.1411","0.1454","","","","","","1.096","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060555","22.55","0.005","10.051","0.002","18.174","0.004","90","0.03","90","0.03","90","0.03","4119.1","1.5","156.15","","156.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co Ho N3 O15 -","- C33 H62 Co Ho N3 O15 -","- C132 H248 Co4 Ho4 N12 O60 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0299","0.0281","","","0.0611","0.0618","","","","","","1.058","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060556","22.38","0.004","10.198","0.002","18.341","0.004","90","0.03","90","0.03","90","0.03","4186","1.4","160.15","","160.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C33 H62 Co N3 O15 Tb -","- C33 H62 Co N3 O15 Tb -","- C132 H248 Co4 N12 O60 Tb4 -","4","1","","Biswas, Mousumi; Basak, Dipmalya; Sañudo, E. Carolina; Ray, Debashis","Heterodinuclear [Co-Ln] complexes of semicarbazide-arm bearing ligand: synthesis from the cleavage of starting [Co-Co] complex, structures and magnetic properties","New Journal of Chemistry","2021","45","19","8755","8762","10.1039/D1NJ00971K","","","0.71073","MoKα","","0.0327","0.0299","","","0.0618","0.0642","","","","","","1.072","","","","has coordinates","266133","2021-06-05","19:19:50",""
"7060557","19.1223","0.0003","19.1223","0.0003","12.5887","0.0003","90","","90","","90","","4603.21","0.15","173","2","173","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C45 H44 Cu4 N4 O19 -","- C45 H44 Cu4 N4 O19 -","- C180 H176 Cu16 N16 O76 -","4","0.5","","Deng, Yun-Hu; Li, Ruo-Yu; Zhang, Jin-Qiang; Wang, Yue-Fei; Li, Jian-Ting; Guo, Wen-Ting; Dong, Wei-Kui","A novel turn-on fluorogenic aldehyde-appended salamo-like copper(ii) complex probe for the simultaneous detection of S2O32− and GSH","New Journal of Chemistry","2021","45","19","8597","8607","10.1039/D1NJ01445E","","","0.71073","MoKα","","0.0513","0.0429","","","0.1341","0.1419","","","","","","1.055","","","","has coordinates","266135","2021-06-05","19:20:02",""
"7060558","17.6455","0.0002","10.80964","0.00012","21.9761","0.0003","90","","97.1031","0.0011","90","","4159.58","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cu I N2 P2 -","- C49 H38 Cu I N2 P2 -","- C196 H152 Cu4 I4 N8 P8 -","4","1","","Zhang, Bin; Zhang, Jie; Sun, Ahui; Liu, Chunmei; Gu, Mengsi; Chen, Yahui; Wei, Bin; Du, Chenxia","Efficiently luminescent mononuclear copper iodide complexes with sterically hindered iminephosphine chelating ligands","New Journal of Chemistry","2021","45","19","8763","8768","10.1039/D1NJ00622C","","x-ray","1.54184","CuKα","","0.0454","0.0376","","","0.0932","0.1001","","","","","","1.028","","","","has coordinates","266134","2021-06-05","19:19:57",""
"7060559","17.5705","0.0019","10.9974","0.001","22.067","0.002","90","","96.709","0.004","90","","4234.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cu I N2 O P2 -","- C50 H40 Cu I N2 O P2 -","- C200 H160 Cu4 I4 N8 O4 P8 -","4","1","","Zhang, Bin; Zhang, Jie; Sun, Ahui; Liu, Chunmei; Gu, Mengsi; Chen, Yahui; Wei, Bin; Du, Chenxia","Efficiently luminescent mononuclear copper iodide complexes with sterically hindered iminephosphine chelating ligands","New Journal of Chemistry","2021","45","19","8763","8768","10.1039/D1NJ00622C","","","0.71073","MoKα","","0.0517","0.0386","","","0.1366","0.1462","","","","","","1.058","","","","has coordinates","266134","2021-06-05","19:19:57",""
"7060560","11.2132","0.0002","13.2839","0.0002","17.6392","0.0002","86.14","","76.508","0.001","75.512","0.001","2473.58","0.07","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C51 H40 Br Cl6 Cu N2 O P2 S -","- C51 H40 Br Cl6 Cu N2 O P2 S -","- C102 H80 Br2 Cl12 Cu2 N4 O2 P4 S2 -","2","1","","Khan, Syed Ishtiaq; Ahmad, Sajjad; Khan, Inayat Ali; Badshah, Amin; Rauf, Muhammad Khawar; Putejo, Jahangir Ali; Siddiq, Muhammad Nasir; Kausar, Samia; Altaf, Ataf Ali","Mononuclear copper(i) complexes of triphenylphosphine and N,N′-disubstituted thioureas as potential DNA binding chemotherapeutics","New Journal of Chemistry","2021","45","20","8925","8935","10.1039/D0NJ06182D","","x-ray","1.54178","CuKα","","0.03","0.0298","","","0.0805","0.0806","","","","","","1.028","","","","has coordinates,has disorder","266141","2021-06-05","19:21:46",""
"7060561","11.1672","0.0002","12.7045","0.0002","17.4524","0.0003","79.417","0.001","79.508","0.001","67.431","0.001","2230.47","0.07","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C50 H40 Br Cl2 Cu N2 O P2 S -","- C50 H40 Br Cl2 Cu N2 O P2 S -","- C100 H80 Br2 Cl4 Cu2 N4 O2 P4 S2 -","2","1","","Khan, Syed Ishtiaq; Ahmad, Sajjad; Khan, Inayat Ali; Badshah, Amin; Rauf, Muhammad Khawar; Putejo, Jahangir Ali; Siddiq, Muhammad Nasir; Kausar, Samia; Altaf, Ataf Ali","Mononuclear copper(i) complexes of triphenylphosphine and N,N′-disubstituted thioureas as potential DNA binding chemotherapeutics","New Journal of Chemistry","2021","45","20","8925","8935","10.1039/D0NJ06182D","","x-ray","1.54178","CuKα","","0.0345","0.0344","","","0.0933","0.0934","","","","","","1.071","","","","has coordinates,has disorder","266141","2021-06-05","19:21:46",""
"7060562","10.9342","0.0005","16.0448","0.0009","14.4614","0.0007","90","","101.911","0.003","90","","2482.4","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cu N6 O11 -","- C20 H22 Cu N6 O11 -","- C80 H88 Cu4 N24 O44 -","4","0.5","","Sharma, Pranay; Nath, Hiren; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Hussain, Sahid; Bhattacharyya, Manjit K.","Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate‒water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","18","8269","8282","10.1039/D1NJ01004B","","","0.71073","MoKα","","0.0617","0.0522","","","0.1521","0.1601","","","","","","1.099","","","","has coordinates","266143","2021-06-05","19:22:04",""
"7060563","9.104","","20.615","","9.627","","90","","93.58","","90","","1803.26","","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl2 Cu N4 O -","- C17 H18 Cl2 Cu N4 O -","- C68 H72 Cl8 Cu4 N16 O4 -","4","1","","Sharma, Pranay; Nath, Hiren; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Hussain, Sahid; Bhattacharyya, Manjit K.","Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate‒water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","18","8269","8282","10.1039/D1NJ01004B","","","0.71073","MoKα","","0.0648","0.044","","","0.1149","0.1273","","","","","","1.051","","","","has coordinates","266143","2021-06-05","19:22:04",""
"7060564","10.4891","0.0003","8.8508","0.0003","22.8286","0.0007","90","","91.108","0.002","90","","2118.94","0.11","170","2","169.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 B N2 O4 -","- C24 H25 B N2 O4 -","- C96 H100 B4 N8 O16 -","4","1","","Geier, Stephen J.; Binder, Justin F.; Vogels, Christopher M.; Watanabe, Lara K.; Macdonald, Charles L. B.; Westcott, Stephen A.","The hydroboration of α-diimines","New Journal of Chemistry","2021","45","33","14908","14912","10.1039/D1NJ01025E","","","1.54178","CuKα","","0.0522","0.0453","","","0.1228","0.1289","","","","","","1.046","","","","has coordinates","268873","2021-09-06","12:05:21",""
"7060565","9.9992","0.0004","8.9229","0.0004","21.833","0.0008","90","","99.004","0.002","90","","1923.98","0.14","170","2","169.84","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 B F2 N2 O2 -","- C22 H19 B F2 N2 O2 -","- C88 H76 B4 F8 N8 O8 -","4","1","","Geier, Stephen J.; Binder, Justin F.; Vogels, Christopher M.; Watanabe, Lara K.; Macdonald, Charles L. B.; Westcott, Stephen A.","The hydroboration of α-diimines","New Journal of Chemistry","2021","45","33","14908","14912","10.1039/D1NJ01025E","","","1.54178","CuKα","","0.064","0.0578","","","0.1571","0.1652","","","","","","1.052","","","","has coordinates","268873","2021-09-06","12:05:21",""
"7060566","28.1959","0.0014","11.557","0.0006","22.0519","0.0011","90","","101.603","0.002","90","","7039","0.6","170","2","170","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 B2 N2 O4 -","- C38 H46 B2 N2 O4 -","- C304 H368 B16 N16 O32 -","8","1","","Geier, Stephen J.; Binder, Justin F.; Vogels, Christopher M.; Watanabe, Lara K.; Macdonald, Charles L. B.; Westcott, Stephen A.","The hydroboration of α-diimines","New Journal of Chemistry","2021","45","33","14908","14912","10.1039/D1NJ01025E","","","0.71073","MoKα","","0.0769","0.0491","","","0.0948","0.1062","","","","","","1.089","","","","has coordinates","268873","2021-09-06","12:05:21",""
"7060567","12.8476","0.001","13.9629","0.0012","8.608","0.0007","90","","103.048","0.008","90","","1504.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu2 N12 O8 -","- C26 H24 Cu2 N12 O8 -","- C52 H48 Cu4 N24 O16 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1539","0.0731","","","0.0839","0.1055","","","","","","0.935","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060568","8.2304","0.0006","14.4079","0.001","14.8621","0.0013","99.827","0.007","98.481","0.007","102.601","0.006","1663.1","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C51 H60 Cu6 N18 O27 -","- C51 H60 Cu6 N18 O27 -","- C51 H60 Cu6 N18 O27 -","1","1","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1771","0.0841","","","0.1484","0.184","","","","","","0.991","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060569","7.6979","0.0003","15.6162","0.0012","13.5766","0.0007","90","","91.386","0.005","90","","1631.59","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu N16 O10 -","- C28 H26 Cu N16 O10 -","- C56 H52 Cu2 N32 O20 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1253","0.0588","","","0.0668","0.0839","","","","","","0.894","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060570","5.543","0.0004","9.8667","0.0006","10.8819","0.0007","86.805","0.005","82.711","0.006","77.543","0.006","576.19","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cu N12 O4 -","- C22 H18 Cu N12 O4 -","- C22 H18 Cu N12 O4 -","1","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.046","0.0403","","","0.1042","0.1108","","","","","","1.001","","","","has coordinates","266138","2021-06-05","19:20:58",""
"7060571","7.5121","0.0004","8.9971","0.0015","15.7735","0.0012","103.632","0.01","90.299","0.007","113.845","0.014","941.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cu2 N14 O8 -","- C36 H30 Cu2 N14 O8 -","- C36 H30 Cu2 N14 O8 -","1","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.0684","0.0499","","","0.1204","0.1249","","","","","","1","","","","has coordinates","266138","2021-06-05","19:20:59",""
"7060572","5.3026","0.0008","8.8828","0.0015","18.203","0.003","102.727","0.014","96.166","0.012","93.241","0.013","828.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Cu N9 O6 -","- C14 H9 Cu N9 O6 -","- C28 H18 Cu2 N18 O12 -","2","1","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1203","0.0817","","","0.1779","0.2083","","","","","","0.999","","","","has coordinates","266138","2021-06-05","19:20:59",""
"7060573","14.8001","0.0007","9.002","0.0005","16.9972","0.0012","90","","92.205","0.005","90","","2262.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 Cu N28 O6 -","- C40 H30 Cu N28 O6 -","- C80 H60 Cu2 N56 O12 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.1652","0.0706","","","0.0806","0.1047","","","","","","0.911","","","","has coordinates,has disorder","266138","2021-06-05","19:20:59",""
"7060574","11.5519","0.0004","22.6083","0.0007","9.0408","0.0004","90","","99.884","0.004","90","","2326.13","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H34.5 Cu N27.5 O7.5 -","- C40.5 H34.5 Cu N27.5 O7.5 -","- C81 H69 Cu2 N55 O15 -","2","0.5","","Melnic, Elena; Kravtsov, Victor Ch.; Lucenti, Elena; Cariati, Elena; Forni, Alessandra; Siminel, Nikita; Fonari, Marina S.","Regulation of π⋯π stacking interactions between triimidazole luminophores and comprehensive emission quenching by coordination to Cu(ii)","New Journal of Chemistry","2021","45","20","9040","9052","10.1039/D1NJ00909E","","","0.71073","MoKα","","0.0829","0.0545","","","0.139","0.1608","","","","","","1","","","","has coordinates","266138","2021-06-05","19:20:59",""
"7060575","22.1869","0.0013","11.1524","0.0004","26.3773","0.0016","90","","101.554","0.005","90","","6394.5","0.6","296","2","296","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H32 F Fe N3 O -","- C42 H32 F Fe N3 O -","- C336 H256 F8 Fe8 N24 O8 -","8","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.1051","0.0469","","","0.0972","0.1147","","","","","","0.93","","","","has coordinates","266137","2021-06-05","19:20:47",""
"7060576","26.2128","0.0008","5.0027","0.0001","10.2514","0.0003","90","","93.435","0.002","90","","1341.9","0.06","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 F4 N O -","- C16 H9 F4 N O -","- C64 H36 F16 N4 O4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0807","0.0543","","","0.1154","0.1273","","","","","","1.045","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060577","7.2134","0.0002","7.6001","0.0003","23.6778","0.0008","90","","91.77","0.003","90","","1297.46","0.08","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cl N O2 -","- C12 H18 Cl N O2 -","- C48 H72 Cl4 N4 O8 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.5418","CuKα","","0.0458","0.0428","","","0.1144","0.1187","","","","","","1.052","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060578","17.3774","0.0004","28.6511","0.0007","7.6327","0.0002","90","","90","","90","","3800.18","0.16","298.15","","298.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H27 Bi2 Cl4 N9 S2 -","- C30 H27 Bi2 Cl4 N9 S2 -","- C120 H108 Bi8 Cl16 N36 S8 -","4","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","0.71073","MoKα","","0.0509","0.0354","","","0.0641","0.0684","","","","","","1.046","","","","has coordinates,has disorder","266137","2021-06-05","19:20:48",""
"7060579","15.8971","0.0007","6.3996","0.0002","21.4345","0.001","90","","90.022","0.004","90","","2180.64","0.16","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C80 H112 Cl8 N8 O16 -","8","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54184","CuKα","","0.0525","0.049","","","0.1341","0.1399","","","","","","1.026","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060580","5.7811","0.0006","14.4499","0.0013","22.9945","0.0019","90","","94.696","0.008","90","","1914.4","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 F2 N3 -","- C24 H19 F2 N3 -","- C96 H76 F8 N12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","0.71073","MoKα","","0.105","0.0516","","","0.0959","0.1166","","","","","","0.978","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060581","5.5309","0.0001","15.5653","0.0003","27.3771","0.0005","90","","90","","90","","2356.9","0.08","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Cl2 N O3 -","- C28 H20 Cl2 N O3 -","- C112 H80 Cl8 N4 O12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54178","CuKα","","0.071","0.0599","","","0.1446","0.1625","","","","","","1.042","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060582","6.7668","0.0004","20.5244","0.0012","14.1899","0.0008","90","","90","","90","","1970.8","0.2","293","2","293","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N3 O6 -","- C18 H10 Cd N3 O6 -","- C72 H40 Cd4 N12 O24 -","4","0.25","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0331","0.0322","","","0.0944","0.0951","","","","","","1.14","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060583","8.3492","0.0003","12.3145","0.0005","14.6583","0.0006","66.874","0.002","80.546","0.002","73.791","0.002","1328.36","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N3 O7 Zn -","- C25 H34 N3 O7 Zn -","- C50 H68 N6 O14 Zn2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.046","0.0404","","","0.1141","0.118","","","","","","1.046","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060584","8.3263","0.0004","10.2086","0.0004","11.5327","0.0005","106.51","0.003","90.708","0.003","95.898","0.002","934","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H22 N2 O4 Zn -","- C19 H22 N2 O4 Zn -","- C38 H44 N4 O8 Zn2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0406","0.0353","","","0.0908","0.0944","","","","","","1.053","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060585","8.3339","0.0003","12.2926","0.0005","14.6424","0.0006","66.842","0.002","80.572","0.002","73.764","0.002","1321.71","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 N3 O7 Zn -","- C25 H32 N3 O7 Zn -","- C50 H64 N6 O14 Zn2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0747","0.0501","","","0.1199","0.1328","","","","","","0.966","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060586","6.7629","0.0002","20.5483","0.0005","14.1909","0.0004","90","","90","","90","","1972.05","0.09","293","2","293","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N3 O6 -","- C18 H10 Cd N3 O6 -","- C72 H40 Cd4 N12 O24 -","4","0.25","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.034","0.0336","","","0.0966","0.0974","","","","","","1.155","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060587","11.409","0.0007","11.409","0.0007","6.5079","0.0004","90","","90","","120","","733.61","0.08","120","2","120","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","3,5-Dichloro-1H-1,2,4-triazole","","- C2 H Cl2 N3 -","- C2 H Cl2 N3 -","- C12 H6 Cl12 N18 -","6","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0201","0.0195","","","0.0481","0.0484","","","","","","1.146","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060588","6.7593","0.0002","20.5293","0.0007","14.1956","0.0005","90","","90","","90","","1969.83","0.11","293","2","293","2","","","","","","","","5","C m m a","-C 2a 2","67","","","","- C18 H10 Cd N3 O6 -","- C18 H10 Cd N3 O6 -","- C72 H40 Cd4 N12 O24 -","4","0.25","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0319","0.0314","","","0.0956","0.0963","","","","","","1.103","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060589","12.2131","0.0006","11.3453","0.0005","16.9589","0.0006","90","","101.552","0.002","90","","2302.25","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N4 O3 S -","- C25 H22 N4 O3 S -","- C100 H88 N16 O12 S4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0752","0.0476","","","0.1243","0.1452","","","","","","1.023","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060590","16.7686","0.0013","5.065","0.0003","12.2716","0.0008","90","","109.705","0.008","90","","981.23","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.5418","CuKα","","0.0588","0.0499","","","0.1397","0.1555","","","","","","1.071","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060591","9.5988","0.0011","9.848","0.0012","19.5275","0.0019","90","","90","","90","","1845.9","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0422","0.035","","","0.0827","0.0917","","","","","","1.089","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060592","10.0578","0.0009","7.1899","0.0006","13.1297","0.0009","90","","102.178","0.001","90","","928.1","0.13","295","2","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C38 H36 N8 O6 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54186","CuKα","","0.1452","0.0843","","","0.1316","0.1846","","","","","","0.891","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060593","9.5464","0.0003","11.3522","0.0003","16.3209","0.0005","79.8713","0.0009","82.8439","0.001","76.7777","0.001","1688.44","0.09","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Br Cl3 N2 O3 S -","- C35 H32 Br Cl3 N2 O3 S -","- C70 H64 Br2 Cl6 N4 O6 S2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.1317","0.0939","","","0.2284","0.2488","","","","","","1.086","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060594","16.5236","0.0001","19.3475","0.0001","31.8128","0.0002","90","","90","","90","","10170.2","0.1","169.98","0.13","169.98","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C112 H106 Cl4 Fe2 N6 -","- C112 H106 Cl4 Fe2 N6 -","- C448 H424 Cl16 Fe8 N24 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54184","CuKα","","0.0377","0.0311","","","0.0747","0.0818","","","","","","1.041","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060595","7.078","0.0003","14.5585","0.0005","20.136","0.0008","90","","90","","90","","2074.92","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N4 O4 Pd -","- C21 H21 Br N4 O4 Pd -","- C84 H84 Br4 N16 O16 Pd4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0377","0.0279","","","0.0508","0.0533","","","","","","1.043","","","","has coordinates,has disorder","266137","2021-06-05","19:20:48",""
"7060596","25.3491","0.0002","24.3546","0.0002","17.1885","0.0001","90","","99.294","0.001","90","","10472.3","0.14","171","3","171","3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H114 Cl4 Fe2 N6 -","- C116 H114 Cl4 Fe2 N6 -","- C464 H456 Cl16 Fe8 N24 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","x-ray","1.54184","CuKα","","0.0565","0.042","","","0.1079","0.1179","","","","","","1.047","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060597","15.9055","0.0009","7.1059","0.0004","16.6403","0.0011","90","","106.502","0.008","90","","1803.3","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-(5-Methylthiophen-2-yl)pyridin-1-ium-1-yl)-2,5-dioxo-1-(perfluorophenyl)-2,5-dihydro-1H-pyrrol-3-olate","","- C20 H9 F5 N2 O3 S -","- C20 H9 F5 N2 O3 S -","- C80 H36 F20 N8 O12 S4 -","4","1","","Hayashi, Yuichiro; Suzuki, Naoya; Maeda, Takeshi; Fujiwara, Hideki; Yagi, Shigeyuki","Photophysical properties of 4-(5-methylthiophen-2-yl)pyridinium‒cyclic enolate betaine dyes tuned by control of twisted intramolecular transfer","New Journal of Chemistry","2021","45","22","9770","9779","10.1039/D1NJ00714A","","","0.71075","MoKα","","","0.0408","","","","0.0482","","","","","","1.086","","","","has coordinates","267210","2021-07-05","18:04:06",""
"7060598","16.5565","0.0017","14.5139","0.0015","21.112","0.002","90","","104.938","0.002","90","","4901.8","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 N7 O10 Zn -","- C53 H42 N7 O10 Zn -","- C212 H168 N28 O40 Zn4 -","4","1","","Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D.","Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal‒organic frameworks","New Journal of Chemistry","2021","45","19","8728","8737","10.1039/D1NJ01158H","","","0.71073","synchrotron","","0.0754","0.0635","","","0.1845","0.1957","","","","","","1.037","","","","has coordinates,has disorder","266129","2021-06-05","19:19:21",""
"7060599","15.823","0.004","16.228","0.005","22.53","0.006","90","","108.133","0.004","90","","5498","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H100 N8 O25 S8 Zn2 -","- C106 H100 N8 O25 S8 Zn2 -","- C212 H200 N16 O50 S16 Zn4 -","2","0.5","","Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D.","Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal‒organic frameworks","New Journal of Chemistry","2021","45","19","8728","8737","10.1039/D1NJ01158H","","","0.71073","synchrotron","","0.1583","0.1087","","","0.2802","0.3224","","","","","","1.047","","","","has coordinates,has disorder","266129","2021-06-05","19:19:21",""
"7060600","17.733","0.005","11.753","0.003","22.79","0.006","90","","96.427","0.004","90","","4720","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H24 N5 O11 Zn -","- C48 H24 N5 O11 Zn -","- C192 H96 N20 O44 Zn4 -","4","1","","Gee, William J.; Wells, Stephen A.; Teat, Simon J.; Raithby, Paul R.; Burrows, Andrew D.","Using geometric simulation software ‘GASP’ to model conformational flexibility in a family of zinc metal‒organic frameworks","New Journal of Chemistry","2021","45","19","8728","8737","10.1039/D1NJ01158H","","","0.71073","synchrotron","","0.1249","0.1037","","","0.3004","0.322","","","","","","1.089","","","","has coordinates,has disorder","266129","2021-06-05","19:19:21",""
"7060601","8.621","0.003","14.613","0.005","8.627","0.003","90","","97.998","0.012","90","","1076.2","0.6","141","2","141","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H3 N7 O -","- C3 H3 N7 O -","- C24 H24 N56 O8 -","8","2","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0601","0.0385","","","0.0847","0.0994","","","","","","1.099","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060602","12.6514","0.0015","5.2884","0.0006","7.4471","0.0008","90","","92.903","0.004","90","","497.61","0.1","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H2 N6 O -","- C3 H2 N6 O -","- C12 H8 N24 O4 -","4","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0247","0.0244","","","0.0639","0.0641","","","","","","1.066","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060603","4.0295","0.0011","12.201","0.003","14.678","0.004","90","","91.823","0.01","90","","721.3","0.3","296.15","","296.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H7 N7 O2 -","- C3 H7 N7 O2 -","- C12 H28 N28 O8 -","4","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.068","0.0622","","","0.1545","0.1592","","","","","","1.083","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060604","3.7934","0.0004","7.4317","0.0007","8.7328","0.0008","105.198","0.005","100.874","0.005","92.381","0.005","232.24","0.04","296","2","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","1","1","","Chen, Xiang; Guo, Zhaoqi; Zhang, Cong; Zhang, Jianguo; Ma, Haixia","Boosting intermolecular interactions of fused cyclic explosives: the way to thermostable and insensitive energetic materials with high density","New Journal of Chemistry","2021","45","21","9358","9367","10.1039/D1NJ00924A","","","0.71073","MoKα","","0.0575","0.0468","","","0.0993","0.1044","","","","","","1.153","","","","has coordinates","266149","2021-06-05","19:23:02",""
"7060605","13.937","0.008","7.336","0.004","15.771","0.008","90","","95.94","0.03","90","","1603.8","1.5","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S Si -","- C15 H20 N2 O4 S Si -","- C60 H80 N8 O16 S4 Si4 -","4","1","","Trofimova, Olga; Grebneva, Ekaterina; Bolgova, Yuliya; Belogolova, Elena; Emel’yanov, Artem; Albanov, Alexander; Borodina, Tat’yana; Ivanova, Anastasiya; Korzhova, Svetlana; Pozdnyakov, Alexander","The synthesis, characterization, and theoretical analysis of novel Si-substituted silylethyl derivatives of 2-mercaptobenzoxazole and 2-mercaptobenzothiazole","New Journal of Chemistry","2021","45","21","9416","9426","10.1039/D1NJ00793A","","","0.71073","MoKα","","0.0332","0.0285","","","0.0738","0.0772","","","","","","1.0563","","","","has coordinates","266151","2021-06-05","19:23:14",""
"7060606","13.187","0.005","10.587","0.004","13.213","0.005","90","","117.361","0.016","90","","1638.3","1.1","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N2 O3 S2 Si -","- C15 H20 N2 O3 S2 Si -","- C60 H80 N8 O12 S8 Si4 -","4","1","","Trofimova, Olga; Grebneva, Ekaterina; Bolgova, Yuliya; Belogolova, Elena; Emel’yanov, Artem; Albanov, Alexander; Borodina, Tat’yana; Ivanova, Anastasiya; Korzhova, Svetlana; Pozdnyakov, Alexander","The synthesis, characterization, and theoretical analysis of novel Si-substituted silylethyl derivatives of 2-mercaptobenzoxazole and 2-mercaptobenzothiazole","New Journal of Chemistry","2021","45","21","9416","9426","10.1039/D1NJ00793A","","","0.71073","MoKα","","0.0253","0.0239","","","0.0626","0.0638","","","","","","1.039","","","","has coordinates","266151","2021-06-05","19:23:14",""
"7060607","41.2198","0.0006","5.8202","0.0001","8.0162","0.0002","90","","90.988","0.001","90","","1922.86","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 O S2 -","- C24 H22 O S2 -","- C96 H88 O4 S8 -","4","1","","Feriancová, Lucia; Cigáň, Marek; Gmucová, Katarína; Kožíšek, Jozef; Nádaždy, Vojtech; Putala, Martin","Effect of electron-withdrawing groups on molecular properties of naphthyl and anthryl bithiophenes as potential n-type semiconductors","New Journal of Chemistry","2021","45","22","9794","9804","10.1039/D1NJ01100F","","x-ray","1.54186","CuKα","","0.0307","0.0296","","","0.0782","0.0788","","","","","","1.033","","","","has coordinates","267215","2021-07-05","18:04:36",""
"7060608","29.2832","0.0008","5.9351","0.0001","14.672","0.0003","90","","97.692","0.002","90","","2527.03","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H11 F15 O S2 -","- C26 H11 F15 O S2 -","- C104 H44 F60 O4 S8 -","4","1","","Feriancová, Lucia; Cigáň, Marek; Gmucová, Katarína; Kožíšek, Jozef; Nádaždy, Vojtech; Putala, Martin","Effect of electron-withdrawing groups on molecular properties of naphthyl and anthryl bithiophenes as potential n-type semiconductors","New Journal of Chemistry","2021","45","22","9794","9804","10.1039/D1NJ01100F","","x-ray","1.54186","CuKα","","0.1333","0.1209","","","0.2959","0.3036","","","","","","1.092","","","","has coordinates","267215","2021-07-05","18:04:37",""
"7060609","13.4285","0.0007","15.7599","0.0009","16.4621","0.0009","90","","90","","90","","3483.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl5 O6 Pt2 S2 -","- C31 H27 Cl5 O6 Pt2 S2 -","- C124 H108 Cl20 O24 Pt8 S8 -","4","1","","Dutta, Pradip; Kumari, Smita; Paulraj, Justin; Sharma, Rupali; Vijaykumar, Gonela; Sankar Das, Hari; P, Sreejyothi; Sil, Swagata; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","Phenalenyl based platinum anticancer compounds with superior efficacy: design, synthesis, characterization, and interaction with nuclear DNA","New Journal of Chemistry","2021","45","23","10524","10533","10.1039/D0NJ06229D","","","0.71073","MoKα","","0.069","0.0408","","","0.0799","0.0897","","","","","","1.069","","","","has coordinates","267223","2021-07-05","18:06:28",""
"7060610","8.7866","0.0011","12.3894","0.0009","12.6125","0.0012","90","","94.728","0.005","90","","1368.3","0.2","295","","295","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 S4 Se -","- C10 H10 N2 S4 Se -","- C40 H40 N8 S16 Se4 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Barrière, Frédéric; Mori, Takehiko; Lorcy, Dominique","Diselenolene proligands: reactivity and comparison with their dithiolene congeners","New Journal of Chemistry","2021","45","20","8971","8977","10.1039/D1NJ01335A","","x-ray","0.71073","MoKα","","0.044","0.0297","","","0.0796","0.0876","","","","","","1.069","","","","has coordinates","266140","2021-06-05","19:21:40",""
"7060611","7.9196","0.0007","8.7472","0.0007","20.8069","0.0019","90","","99.984","0.003","90","","1419.6","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 S4 Se2 -","- C10 H10 N2 S4 Se2 -","- C40 H40 N8 S16 Se8 -","4","1","","Le Gal, Yann; Roisnel, Thierry; Barrière, Frédéric; Mori, Takehiko; Lorcy, Dominique","Diselenolene proligands: reactivity and comparison with their dithiolene congeners","New Journal of Chemistry","2021","45","20","8971","8977","10.1039/D1NJ01335A","","x-ray","0.71073","MoKα","","0.0283","0.0238","","","0.0558","0.0579","","","","","","1.026","","","","has coordinates","266140","2021-06-05","19:21:40",""
"7060612","10.2751","0.0014","22.028","0.002","41.384","0.007","90","","90","","90","","9367","2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 O8 Si8 -","- C36 H56 O8 Si8 -","- C288 H448 O64 Si64 -","8","2","","Kholodkov, Dmitry N.; Eremchuk, Kseniia I.; Soldatkin, Yuri V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Anisimov, Anton A.; Novikov, Roman A.; Arzumanyan, Ashot V.","Stereoregular cyclic p-tolyl-siloxanes with alkyl, O- and N-containing groups as promising reagents for the synthesis of functionalized organosiloxanes","New Journal of Chemistry","2021","45","22","9805","9810","10.1039/D1NJ01222C","","","0.71073","MoKα","","0.1305","0.0831","","","0.1705","0.189","","","","","","1.055","","","","has coordinates,has disorder","267214","2021-07-05","18:04:31",""
"7060613","10.312","0.002","12.187","0.002","10.6044","0.0019","90","","100.686","0.006","90","","1309.6","0.4","103","0.2","103","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 B Cl N O5 -","- C8 H19 B Cl N O5 -","- C32 H76 B4 Cl4 N4 O20 -","4","1","","Li, Huizhen; Li, Yunhui; Kang, Jiaxin; Fan, Lin; Yang, Qiuyu; Li, Shujun; Rahman, Abdul; Chen, Daqi","Reactivity and mechanisms of hydridic hydrogen of B‒H in ammonia borane towards acetic acids: the ammonia B-monoacyloxy boranes","New Journal of Chemistry","2021","45","22","9904","9911","10.1039/D1NJ01727F","","","0.71073","MoKα","","0.0943","0.0751","","","0.1816","0.2027","","","","","","1.016","","","","has coordinates","267211","2021-07-05","18:04:12",""
"7060614","8.6163","0.0011","11.914","0.0015","13.6933","0.0016","90","","99.807","0.003","90","","1385.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 B Cl2 N O5 -","- C8 H18 B Cl2 N O5 -","- C32 H72 B4 Cl8 N4 O20 -","4","1","","Li, Huizhen; Li, Yunhui; Kang, Jiaxin; Fan, Lin; Yang, Qiuyu; Li, Shujun; Rahman, Abdul; Chen, Daqi","Reactivity and mechanisms of hydridic hydrogen of B‒H in ammonia borane towards acetic acids: the ammonia B-monoacyloxy boranes","New Journal of Chemistry","2021","45","22","9904","9911","10.1039/D1NJ01727F","","","0.71073","MoKα","","0.1077","0.056","","","0.128","0.1476","","","","","","0.91","","","","has coordinates,has disorder","267211","2021-07-05","18:04:12",""
"7060615","7.9257","0.0006","17.9072","0.0012","10.7961","0.0007","90","","92.024","0.002","90","","1531.3","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N6 S -","- C16 H12 N6 S -","- C64 H48 N24 S4 -","4","1","","Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh","Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT","New Journal of Chemistry","2021","45","27","11999","12015","10.1039/D0NJ05883A","","","0.71073","MoKα","","0.0533","0.0385","","","0.0929","0.1018","","","","","","1.036","","","","has coordinates","268859","2021-09-06","12:01:32",""
"7060616","37.6726","0.0013","9.0541","0.0003","18.5487","0.0007","90","","105.772","0.001","90","","6088.6","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N12 S2 Zn -","- C32 H22 N12 S2 Zn -","- C256 H176 N96 S16 Zn8 -","8","1","","Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh","Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT","New Journal of Chemistry","2021","45","27","11999","12015","10.1039/D0NJ05883A","","","0.71073","MoKα","","0.0557","0.0347","","","0.0743","0.0841","","","","","","1.043","","","","has coordinates","268859","2021-09-06","12:01:35",""
"7060617","9.7741","0.0011","12.1509","0.0013","14.074","0.0016","94.392","0.004","90.811","0.004","94.002","0.004","1662.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H22 Cl N12 Ni O4 S2 -","- C32 H22 Cl N12 Ni O4 S2 -","- C64 H44 Cl2 N24 Ni2 O8 S4 -","2","1","","Bera, Pradip; Aher, Abhishek; Brandao, Paula; Manna, Sunil Kumar; Bhattacharyya, Indranil; Mondal, Gopinath; Jana, Abhimanyu; Santra, Ananyakumari; Bera, Pulakesh","Anticancer activity, DNA binding and docking study of M(ii)-complexes (M = Zn, Cu and Ni) derived from a new pyrazine‒thiazole ligand: synthesis, structure and DFT","New Journal of Chemistry","2021","45","27","11999","12015","10.1039/D0NJ05883A","","","0.71073","MoKα","","0.0791","0.0487","","","0.1156","0.1315","","","","","","1.032","","","","has coordinates","268859","2021-09-06","12:01:35",""
"7060618","7.9426","0.0002","12.3331","0.0003","17.1446","0.0004","75","0.001","83.451","0.001","84.215","0.001","1607.17","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H47 Cl N2 Ni O3 P2 -","- C30 H47 Cl N2 Ni O3 P2 -","- C60 H94 Cl2 N4 Ni2 O6 P4 -","2","1","","Castillo-García, Antonio A.; González-Sebastián, Lucero; Lomas-Romero, Leticia; Hernandez-Ortega, Simon; Toscano, Ruben A.; Morales-Morales, David","Novel meta-benzothiazole and benzimidazole functionalised POCOP-Ni(ii) pincer complexes as efficient catalysts in the production of diarylketones","New Journal of Chemistry","2021","45","23","10204","10216","10.1039/D1NJ01348C","","","0.71073","MoKα","","0.0555","0.0345","","","0.0663","0.0733","","","","","","0.949","","","","has coordinates","267224","2021-07-05","18:06:34",""
"7060619","17.1985","0.0011","15.1991","0.0009","10.8855","0.0006","90","","104.68","0.002","90","","2752.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl N2 Ni O2 P2 -","- C25 H35 Cl N2 Ni O2 P2 -","- C100 H140 Cl4 N8 Ni4 O8 P8 -","4","1","","Castillo-García, Antonio A.; González-Sebastián, Lucero; Lomas-Romero, Leticia; Hernandez-Ortega, Simon; Toscano, Ruben A.; Morales-Morales, David","Novel meta-benzothiazole and benzimidazole functionalised POCOP-Ni(ii) pincer complexes as efficient catalysts in the production of diarylketones","New Journal of Chemistry","2021","45","23","10204","10216","10.1039/D1NJ01348C","","","0.71073","MoKα","","0.0768","0.0423","","","0.0885","0.1037","","","","","","1.024","","","","has coordinates","267224","2021-07-05","18:06:34",""
"7060620","4.9091","0.0009","6.622","0.0008","8.103","0.002","90","","99.75","0.02","90","","259.61","0.09","112","2","112","2","","","","","","","","3","P 1 21 1","P 2yb","4","1-cyclopropyl-5H-tetrazole","1-cyclopropyl-5H-tetrazole","","- C4 H6 N4 -","- C4 H6 N4 -","- C8 H12 N8 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0579","0.0434","","","0.0831","0.0941","","","","","","1.102","","","","has coordinates","267220","2021-07-05","18:05:55",""
"7060621","14.4782","0.0013","6.3738","0.0003","9.7644","0.0005","90","","92.052","0.006","90","","900.49","0.1","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dinitrato di(1-cyclobutyl-5H-tetrazolyl copper(II)","dinitrato di(1-cyclobutyl-5H-tetrazolyl copper(II)","","- C12 H20 Cu N10 O6 -","- C12 H20 Cu N10 O6 -","- C24 H40 Cu2 N20 O12 -","2","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0672","0.0506","","","0.122","0.1371","","","","","","1.052","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060622","21.6878","0.0012","6.4701","0.0005","24.9341","0.0013","90","","104.209","0.004","90","","3391.8","0.4","127","2","127","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","dichlorato tetrakis(1-cyclopentyl)tetrazole copper(II)","dichlorato tetrakis(1-cyclopentyl)tetrazole copper(II)","","- C24 H40 Cl2 Cu N16 O6 -","- C24 H40 Cl2 Cu N16 O6 -","- C96 H160 Cl8 Cu4 N64 O24 -","4","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0354","0.0304","","","0.0753","0.0794","","","","","","1.057","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060623","10.4489","0.0004","13.0298","0.0005","17.6353","0.0007","90","","102.235","0.004","90","","2346.46","0.16","105","2","105","2","","","","","","","","5","I 1 a 1","I -2ya","9","dinitrato tris(1-cyclobutyl-5H-tetrazolyl) copper(II)","dinitrato tris(1-cyclobutyl-5H-tetrazolyl) copper(II)","","- C15 H24 Cu N14 O6 -","- C15 H24 Cu N14 O6 -","- C60 H96 Cu4 N56 O24 -","4","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0309","0.0269","","","0.0584","0.0604","","","","","","1.056","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060624","10.7309","0.0007","10.7309","0.0007","29.207","0.002","90","","90","","120","","2912.7","0.3","107","2","107","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl)iron(II) perchlorate","hexakis(1-cyclopropyl)iron(II) perchlorate","","- C24 H36 Cl2 Fe N24 O8 -","- C24 H36 Cl2 Fe N24 O8 -","- C72 H108 Cl6 Fe3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0367","0.0298","","","0.068","0.0713","","","","","","1.055","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060625","10.888","0.0006","10.888","0.0006","29.5174","0.0017","90","","90","","120","","3030.4","0.3","106","2","106","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)manganese(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)manganese(II) diperchlorate","","- C24 H36 Cl2 Mn N24 O8 -","- C24 H36 Cl2 Mn N24 O8 -","- C72 H108 Cl6 Mn3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0352","0.0293","","","0.0734","0.0768","","","","","","1.082","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060626","11.0187","0.0005","12.6481","0.0008","13.4478","0.0008","86.257","0.005","73.006","0.005","82.596","0.005","1776.63","0.18","103","2","103","2","","","","","","","","6","P -1","-P 1","2","aqua tetrakis(1-cyclopentyl-5H-tetrazole) copper(II) diperchlorate","aqua tetrakis(1-cyclopentyl-5H-tetrazole) copper(II) diperchlorate","","- C48 H84 Cl4 Cu2 N32 O18 -","- C48 H84 Cl4 Cu2 N32 O18 -","- C48 H84 Cl4 Cu2 N32 O18 -","1","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0772","0.0499","","","0.1171","0.1416","","","","","","1.065","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060627","10.7417","0.0015","10.7417","0.0015","29.826","0.005","90","","90","","120","","2980.4","0.8","115","2","115","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl)tetrazole copper(II) perchlorate","hexakis(1-cyclopropyl)tetrazole copper(II) perchlorate","","- C24 H36 Cl2 Cu N24 O8 -","- C24 H36 Cl2 Cu N24 O8 -","- C72 H108 Cl6 Cu3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.054","0.0405","","","0.0888","0.0953","","","","","","1.062","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060628","10.7815","0.0005","10.7815","0.0005","29.591","0.0018","90","","90","","120","","2978.9","0.3","107","2","107","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)zinc(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)zinc(II) diperchlorate","","- C24 H36 Cl2 N24 O8 Zn -","- C24 H36 Cl2 N24 O8 Zn -","- C72 H108 Cl6 N72 O24 Zn3 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0567","0.0383","","","0.0784","0.0852","","","","","","1.015","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060629","10.9182","0.001","10.9182","0.001","28.166","0.003","90","","90","","120","","2907.8","0.5","127","2","127","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)copper(II) dichlorate","","- C24 H36 Cl2 Cu N24 O6 -","- C24 H36 Cl2 Cu N24 O6 -","- C72 H108 Cl6 Cu3 N72 O18 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0381","0.0299","","","0.0759","0.0797","","","","","","1.056","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060630","19.4982","0.0005","15.0587","0.0005","20.7916","0.0005","90","","90","","90","","6104.8","0.3","110","2","110","2","","","","","","","","5","P n a 21","P 2c -2n","33","dinitrato di(1-cyclopropyl-5H-tetrazolyl) copper(II)","dinitrato di(1-cyclopropyl-5H-tetrazolyl) copper(II)","","- C16 H24 Cu2 N20 O12 -","- C16 H24 Cu2 N20 O12 -","- C128 H192 Cu16 N160 O96 -","8","2","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1089","0.059","","","0.094","0.1121","","","","","","1.021","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060631","17.0836","0.0007","11.1197","0.0005","17.2721","0.0009","90","","93.681","0.004","90","","3274.3","0.3","111","2","111","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","aqua(tetrakis(1-cyclopropyl-5H-tetrazolyl)copper(II) diperchlorate","aqua(tetrakis(1-cyclopropyl-5H-tetrazolyl)copper(II) diperchlorate","","- C40 H68 Cl4 Cu2 N32 O18 -","- C40 H68 Cl4 Cu2 N32 O18 -","- C80 H136 Cl8 Cu4 N64 O36 -","2","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1039","0.0579","","","0.1023","0.1217","","","","","","1.013","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060632","6.7946","0.0004","18.1424","0.0012","12.472","0.0007","90","","96.844","0.006","90","","1526.47","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","dinitrato tetrakis(1-cyclobutyl-5H-tetrazolyl) copper(II)","dinitrato tetrakis(1-cyclobutyl-5H-tetrazolyl) copper(II)","","- C20 H32 Cl2 Cu N16 O6 -","- C20 H32 Cl2 Cu N16 O6 -","- C40 H64 Cl4 Cu2 N32 O12 -","2","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0451","0.0325","","","0.0721","0.0774","","","","","","1.014","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060633","10.9914","0.0008","11.9384","0.0009","14.9946","0.0011","112.552","0.007","90.35","0.006","96.674","0.006","1802.1","0.3","101","2","101","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) zinc(II) diperchlorate","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) zinc(II) diperchlorate","","- C24 H44 Cl2 N16 O10 Zn -","- C24 H44 Cl2 N16 O10 Zn -","- C48 H88 Cl4 N32 O20 Zn2 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0924","0.0665","","","0.1702","0.195","","","","","","1.038","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060634","5.587","0.0003","6.9121","0.0004","13.09","0.0007","96.426","0.002","99.436","0.002","110.441","0.002","459.38","0.04","102","2","102","2","","","","","","","","4","P -1","-P 1","2","diazido 1-cyclopropyl-5H-tetrazolyl copper(II)","diazido 1-cyclopropyl-5H-tetrazolyl copper(II)","","- C4 H6 Cu N10 -","- C4 H6 Cu N10 -","- C8 H12 Cu2 N20 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","","0.71073","MoKα","","0.0209","0.019","","","0.0459","0.047","","","","","","1.044","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060635","15.1598","0.0014","6.2457","0.0003","10.8574","0.0005","90","","102.305","0.006","90","","1004.4","0.12","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","diazido 1-cyclobutyl-5H-tetrazolyl copper(II)","diazido 1-cyclobutyl-5H-tetrazolyl copper(II)","","- C5 H8 Cu N10 -","- C5 H8 Cu N10 -","- C20 H32 Cu4 N40 -","4","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0687","0.045","","","0.0946","0.1066","","","","","","1.06","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060636","11.2105","0.0007","11.3324","0.0008","11.4691","0.0007","104.328","0.006","106.897","0.005","91.541","0.005","1343.09","0.16","113","2","113","2","","","","","","","","5","P -1","-P 1","2","P -1","triclinic","","- C32 H52 Cu2 N36 O14 -","- C32 H52 Cu2 N36 O14 -","- C32 H52 Cu2 N36 O14 -","1","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.047","0.0359","","","0.081","0.088","","","","","","1.031","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060637","10.7162","0.0004","11.9386","0.0006","15.5566","0.0007","68.044","0.004","79.661","0.004","77.005","0.004","1788.58","0.15","106","2","106","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","","- C24 H44 Cl2 Mn N16 O10 -","- C24 H44 Cl2 Mn N16 O10 -","- C48 H88 Cl4 Mn2 N32 O20 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0768","0.0572","","","0.1349","0.1514","","","","","","1.031","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060638","10.9841","0.0004","11.8637","0.0005","15.0067","0.0009","112.565","0.005","90.518","0.004","96.245","0.003","1792.38","0.16","109","2","109","2","","","","","","","","6","P -1","-P 1","2","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","diaqua tetrakis(1-cyclopentyl-5H-tetrazole) iron(II) diperchlorate","","- C48 H86 Cl4 Fe2 N32 O20 -","- C48 H86 Cl4 Fe2 N32 O20 -","- C48 H86 Cl4 Fe2 N32 O20 -","1","0.5","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.0916","0.0623","","","0.1482","0.1709","","","","","","1.037","","","","has coordinates,has disorder","267220","2021-07-05","18:05:56",""
"7060639","6.2935","0.0015","10.817","0.002","16.387","0.003","75.106","0.016","82.86","0.018","89.884","0.017","1069.2","0.4","112","2","112","2","","","","","","","","4","P -1","-P 1","2","1-cyclopropyl-5H-tetrazole copper(II) azide","diazido 1-cyclopropyl-5H-tetrazole copper(II)","","- C12 H20 Cu2 N20 -","- C12 H20 Cu2 N20 -","- C24 H40 Cu4 N40 -","2","1","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","x-ray","0.71073","MoKα","","0.1569","0.0778","","","0.1262","0.1643","","","","","","0.985","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060640","10.8393","0.0001","10.8393","0.0001","30.1945","0.0006","90","","90","","120","","3072.28","0.07","297","2","297","2","","","","","","","","6","R -3 :H","-R 3","148","hexakis(1-cyclopropyl-5H-tetrazolyl)iron(II) diperchlorate","hexakis(1-cyclopropyl-5H-tetrazolyl)iron(II) diperchlorate","","- C24 H36 Cl2 Fe N24 O8 -","- C24 H36 Cl2 Fe N24 O8 -","- C72 H108 Cl6 Fe3 N72 O24 -","3","0.166667","","Braun, Vanessa; Wurzenberger, Maximilian H. H.; Weippert, Valentin; Stierstorfer, Jörg","Tailoring the properties of 3d transition metal complexes with different N-cycloalkyl-substituted tetrazoles","New Journal of Chemistry","2021","45","25","11042","11050","10.1039/D1NJ01675J","","","0.71073","MoKα","","0.0686","0.0662","","","0.1651","0.1712","","","","","","1.159","","","","has coordinates","267220","2021-07-05","18:05:56",""
"7060641","18.604","0.005","5.0525","0.0012","11.244","0.003","90","","90","","90","","1056.9","0.5","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-phenylquinazolin","","- C14 H10 N2 -","- C14 H10 N2 -","- C56 H40 N8 -","4","1","","Kumar, Gujjenahalli Ramalingaiah Yogesh; Begum, Noor Shahina","Mn(iii)-mediated cascade cyclization of 1-(azidomethyl)-2-isocyanoarenes with organoboronic acids: construction of quinazoline derivatives","New Journal of Chemistry","2021","45","22","9811","9817","10.1039/D1NJ01115D","","","0.71073","MoKα","","0.0503","0.0385","","","0.0994","0.1094","","","","","","1.029","","","","has coordinates","267209","2021-07-05","18:04:01",""
"7060642","22.0074","0.0002","12.597","0.0001","18.2478","0.0002","90","","98.381","0.001","90","","5004.76","0.08","99.98","0.14","99.98","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0377","0.0367","","","0.0981","0.099","","","","","","1.053","","","","has coordinates,has disorder","266139","2021-06-05","19:21:33",""
"7060643","22.0404","0.0002","12.6512","0.0001","18.3082","0.0001","90","","98.056","0.001","90","","5054.63","0.07","170.05","0.1","170.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0379","0.0365","","","0.0968","0.0979","","","","","","1.048","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060644","22.0143","0.0002","12.6048","0.0001","18.255","0.0002","90","","98.342","0.001","90","","5011.91","0.08","110.04","0.1","110.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0374","0.0364","","","0.0962","0.0971","","","","","","1.05","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060645","22.0261","0.0002","12.619","0.0001","18.2707","0.0002","90","","98.246","0.001","90","","5025.79","0.08","130.03","0.1","130.03","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0363","0.0351","","","0.0931","0.0939","","","","","","1.06","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060646","22.0352","0.0002","12.6354","0.0001","18.2873","0.0001","90","","98.146","0.001","90","","5040.24","0.07","150.05","0.1","150.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0376","0.0364","","","0.0967","0.0976","","","","","","1.046","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060647","22.0784","0.0001","12.691","0.0001","18.3485","0.0001","90","","97.774","0.001","90","","5093.94","0.06","210.04","0.1","210.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0432","0.0412","","","0.1119","0.1135","","","","","","1.046","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060648","22.059","0.0001","12.67","0.0001","18.3284","0.0001","90","","97.927","0.001","90","","5073.61","0.06","190.04","0.1","190.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0389","0.0374","","","0.0984","0.0996","","","","","","1.031","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060649","22.1453","0.0002","12.7427","0.0001","18.3743","0.0001","90","","97.298","0.001","90","","5143.06","0.07","250.04","0.1","250.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0553","0.0506","","","0.1399","0.1441","","","","","","1.055","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060650","22.1027","0.0001","12.7147","0.0001","18.364","0.0001","90","","97.579","0.001","90","","5115.74","0.06","230.04","0.1","230.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0477","0.0448","","","0.1233","0.1258","","","","","","1.047","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060651","22.696","0.0007","12.8357","0.0005","18.1558","0.0005","90","","94.635","0.003","90","","5271.8","0.3","290.05","0.1","290.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0913","0.0651","","","0.2036","0.2313","","","","","","1.057","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060652","22.6717","0.0005","12.8018","0.0004","18.1125","0.0004","90","","94.823","0.002","90","","5238.3","0.2","270.04","0.1","270.04","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0793","0.0582","","","0.1702","0.1895","","","","","","1.052","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060653","22.0631","0.0002","12.6447","0.0001","18.3556","0.0002","90","","97.857","0.001","90","","5072.8","0.08","190","0.1","190","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0259","0.024","","","0.0615","0.0625","","","","","","1.065","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060654","22.0819","0.0002","12.6642","0.0001","18.3777","0.0002","90","","97.712","0.001","90","","5092.83","0.08","210.05","0.1","210.05","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0299","0.027","","","0.0693","0.0711","","","","","","1.045","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060655","22.1376","0.0003","12.7162","0.0002","18.4036","0.0002","90","","97.298","0.001","90","","5138.76","0.12","250.06","0.1","250.06","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0428","0.0372","","","0.0953","0.0998","","","","","","1.057","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060656","22.1074","0.0002","12.6883","0.0002","18.3944","0.0002","90","","97.532","0.001","90","","5115.21","0.11","230.06","0.1","230.06","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Ag F3 N2 O3 S -","- C27 H22 Ag F3 N2 O3 S -","- C216 H176 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0339","0.0304","","","0.0761","0.0782","","","","","","1.071","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060657","22.6955","0.0004","12.7839","0.0003","18.1157","0.0003","90","","94.668","0.002","90","","5238.6","0.18","270.07","0.11","270.07","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Ag F3 N2 O3 S -","- C27 H21 Ag F3 N2 O3 S -","- C216 H168 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0775","0.0502","","","0.1432","0.1628","","","","","","1.06","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060658","22.6895","0.0005","12.8292","0.0004","18.1655","0.0003","90","","94.599","0.002","90","","5270.7","0.2","290.06","0.11","290.06","0.11","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Ag F3 N2 O3 S -","- C27 H21 Ag F3 N2 O3 S -","- C216 H168 Ag8 F24 N16 O24 S8 -","8","1","","Juneja, Navkiran; Unruh, Daniel K.; Groeneman, Ryan H.; Hutchins, Kristin M.","Positive thermal expansion facilitates the formation of argentophilic forces following an order‒disorder phase transition","New Journal of Chemistry","2021","45","20","8898","8901","10.1039/D1NJ00312G","","x-ray","1.54184","CuKα","","0.0939","0.0558","","","0.177","0.2108","","","","","","1.054","","","","has coordinates,has disorder","266139","2021-06-05","19:21:34",""
"7060659","10.0155","0.0002","10.9223","0.0002","20.2357","0.0003","100.436","0.001","104.283","0.001","99.455","0.002","2058.38","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C41 H59 Au N2 O10 S -","- C41 H59 Au N2 O10 S -","- C82 H118 Au2 N4 O20 S2 -","2","2","","Safir Filho, Mauro; Scattolin, Thomas; Dao, Pascal; Tzouras, Nikolaos V.; Benhida, Rachid; Saab, Marina; Van Hecke, Kristof; Lippmann, Petra; Martin, Anthony R.; Ott, Ingo; Nolan, Steven P.","Straightforward synthetic route to gold(i)-thiolato glycoconjugate complexes bearing NHC ligands (NHC = N-heterocyclic carbene) and their promising anticancer activity","New Journal of Chemistry","2021","45","22","9995","10001","10.1039/D1NJ02117F","","x-ray","0.71073","MoKα","","0.0338","0.0295","","","0.0592","0.0615","","","","","","1.022","","","","has coordinates,has disorder","267213","2021-07-05","18:04:23",""
"7060660","13.0105","0.0006","11.6307","0.0005","21.7397","0.0009","90","","90","","90","","3289.7","0.2","296.15","","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl4 N2 Ni2 O4 -","- C32 H34 Cl4 N2 Ni2 O4 -","- C128 H136 Cl16 N8 Ni8 O16 -","4","0.5","","Hu, Miao; Jiang, Yong; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun","Nickel-catalyzed C3-alkylation of indoles with alcohols via a borrowing hydrogen strategy","New Journal of Chemistry","2021","45","22","10057","10062","10.1039/D1NJ01581H","","","0.71073","MoKα","","0.0501","0.0318","","","0.0676","0.0762","","","","","","1.033","","","","has coordinates,has disorder","267212","2021-07-05","18:04:17",""
"7060661","16.9127","0.0006","9.2788","0.0003","23.5436","0.0008","90","","91.766","0.002","90","","3692.9","0.2","130","","130","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","POCOP-Ni-bipy","","- C32 H47 F6 N2 Ni O3 P2 Sb -","- C32 H47 F6 N2 Ni O3 P2 Sb -","- C128 H188 F24 N8 Ni4 O12 P8 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.0559","0.0439","","","0.1069","0.1133","","","","","","1.055","","","","has coordinates,has disorder","268878","2021-09-06","12:06:33",""
"7060662","18.3475","0.0005","12.6233","0.0004","24.3404","0.0006","90","","98.015","0.001","90","","5582.3","0.3","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","POCN-Ni-bipy*-Ni-POCN","","- C48 H70 F12 N4 Ni2 O5 P2 Sb2 -","- C48 H70 F12 N4 Ni2 O5 P2 Sb2 -","- C192 H280 F48 N16 Ni8 O20 P8 Sb8 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0432","0.0368","","","0.0939","0.0982","","","","","","1.037","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060663","17.2593","0.0015","13.5102","0.0012","29.393","0.003","90","","93.58","0.005","90","","6840.4","1.1","130","","130","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Cl2 F6 N3 Ni O2 P Sb -","- C30 H37 Cl2 F6 N3 Ni O2 P Sb -","- C240 H296 Cl16 F48 N24 Ni8 O16 P8 Sb8 -","8","2","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.0654","0.0575","","","0.1513","0.1575","","","","","","1.066","","","","has coordinates,has disorder","268878","2021-09-06","12:06:33",""
"7060664","14.5548","0.0007","15.2342","0.0007","14.8051","0.0008","90","","95.07","0.003","90","","3269.9","0.3","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C27.69 H36.38 Cl1.38 F6 N3 Ni O2 P Sb -","- C27.69 H36.38 Cl1.38 F6 N3 Ni O2 P Sb -","- C110.76 H145.52 Cl5.52 F24 N12 Ni4 O8 P4 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0877","0.0856","","","0.1873","0.1882","","","","","","1.211","","","","has coordinates,has disorder","268878","2021-09-06","12:06:33",""
"7060665","12.6698","0.0006","13.6736","0.0006","20.1046","0.0009","104.063","0.002","100.134","0.002","90.206","0.002","3321.9","0.3","100","","100","","","","","","","","","8","P 1","P 1","1","","POCOP-Ni-phen","","- C30 H39 F6 N2 Ni O2 P2 Sb -","- C30 H39 F6 N2 Ni O2 P2 Sb -","- C120 H156 F24 N8 Ni4 O8 P8 Sb4 -","4","4","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0323","0.0321","","","0.0893","0.0896","","","","","","1.043","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060666","17.1313","0.0009","8.0007","0.0004","17.8969","0.0009","90","","94.072","0.002","90","","2446.8","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19 H30 F6 N2 Ni O2 P Sb -","- C19 H30 F6 N2 Ni O2 P Sb -","- C76 H120 F24 N8 Ni4 O8 P4 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.54178","CuKα","","0.0229","0.0229","","","0.0599","0.0602","","","","","","1.122","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060667","12.2664","0.0003","13.2418","0.0003","17.527","0.0005","68.383","0.001","85.94","0.001","87.02","0.001","2638.99","0.12","120","","120","","","","","","","","","8","P -1","-P 1","2","","POCN-Ni-py","","- C22 H32 F6 N2 Ni O2 P Sb -","- C22 H32 F6 N2 Ni O2 P Sb -","- C88 H128 F24 N8 Ni4 O8 P4 Sb4 -","4","2","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.041","0.04","","","0.1056","0.1071","","","","","","1.07","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060668","8.6586","0.0003","26.4721","0.0007","14.4377","0.0004","90","","107.032","0.002","90","","3164.14","0.17","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N Ni O2 P2 Sb -","- C23 H36 F6 N Ni O2 P2 Sb -","- C92 H144 F24 N4 Ni4 O8 P8 Sb4 -","4","1","","Rahimi, Naser; Zargarian, Davit","Cationic tetra- and pentacoordinate complexes of nickel based on POCN- and POCOP-type pincer ligands: synthesis, characterization, and ligand exchange studies","New Journal of Chemistry","2021","45","33","15063","15073","10.1039/D1NJ01355F","","x-ray","1.34139","GaKα","","0.0427","0.041","","","0.0999","0.1009","","","","","","1.133","","","","has coordinates","268878","2021-09-06","12:06:33",""
"7060669","9.7016","0.0001","18.3583","0.0001","25.5187","0.0002","90","","99.669","0.001","90","","4480.44","0.06","102","3","102","3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LInCl2 (Dipp)","","- C43 H67 Cl2 In N3 P2 -","- C43 H67 Cl2 In N3 P2 -","- C172 H268 Cl8 In4 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0342","0.0295","","","0.0727","0.0749","","","","","","1.084","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060670","18.1046","0.0003","8.3016","0.0001","26.1934","0.0004","90","","90","","90","","3936.79","0.1","100","0.2","100","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C40 H65 N3 P2 -","- C40 H65 N3 P2 -","- C160 H260 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0435","0.0358","","","0.089","0.0929","","","","","","1.064","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060671","16.3379","0.0002","23.992","0.0002","20.6103","0.0002","90","","112.995","0.001","90","","7436.85","0.14","100","0.4","100","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LInCl2 (Ar = Pipp)","","- C34 H52 Cl2 In N3 P2 -","- C34 H52 Cl2 In N3 P2 -","- C272 H416 Cl16 In8 N24 P16 -","8","2","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0461","0.0422","","","0.1134","0.1163","","","","","","1.04","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060672","11.6933","0.0002","22.3999","0.0003","14.5398","0.0002","90","","97.596","0.001","90","","3774.97","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","LMes","","- C40 H59 N3 P2 -","- C40 H59 N3 P2 -","- C160 H236 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0596","0.0485","","","0.1276","0.1368","","","","","","1.059","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060673","8.5179","0.0004","14.3557","0.0004","16.0481","0.0004","66.419","0.002","82.147","0.003","77.448","0.003","1752.81","0.11","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","LAlMe2 (Ar = Mes)","","- C36 H58 Al N3 P2 -","- C36 H58 Al N3 P2 -","- C72 H116 Al2 N6 P4 -","2","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0728","0.0602","","","0.1848","0.2036","","","","","","1.053","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060674","9.2843","0.0001","19.1068","0.0003","20.8295","0.0003","90","","92.334","0.001","90","","3691.95","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LInCl2 (Mes)","","- C34 H52 Cl2 In N3 P2 -","- C34 H52 Cl2 In N3 P2 -","- C136 H208 Cl8 In4 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","","1.54184","CuKα","","0.0369","0.0326","","","0.0875","0.0897","","","","","","1.065","","","","has coordinates,has disorder","268872","2021-09-06","12:05:11",""
"7060675","16.246","0.0002","24.0391","0.0002","20.6349","0.0003","90","","112.981","0.001","90","","7419.15","0.16","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","LAlMe2 (Pipp)","","- C36 H58 Al N3 P2 -","- C36 H58 Al N3 P2 -","- C288 H464 Al8 N24 P16 -","8","2","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0478","0.0391","","","0.1002","0.132","","","","","","1.17","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060676","9.5009","0.0001","18.3494","0.0001","25.5029","0.0002","90","","99.429","0.001","90","","4386","0.06","100.01","0.13","100.01","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","LGaCl2 (Dipp)","","- C43 H67 Cl2 Ga N3 P2 -","- C43 H67 Cl2 Ga N3 P2 -","- C172 H268 Cl8 Ga4 N12 P8 -","4","1","","Chisholm, Desmond T.; Hayes, Paul G.","Synthesis and characterization of group 13 dichloride (M = Ga, In), dimethyl (M = Al) and cationic methyl aluminum complexes supported by monoanionic NNN-pincer ligands","New Journal of Chemistry","2021","45","33","15043","15052","10.1039/D1NJ01064F","","x-ray","1.54184","CuKα","","0.0323","0.0295","","","0.0754","0.0776","","","","","","1.066","","","","has coordinates","268872","2021-09-06","12:05:11",""
"7060677","11.0196","0.0013","11.0526","0.0014","13.9779","0.0017","80.698","0.002","84.378","0.002","75.812","0.002","1625.8","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 N O11 S Ti2 -","- C24 H44 N O11 S Ti2 -","- C48 H88 N2 O22 S2 Ti4 -","2","1","","Mou, Wen-Yu; Xie, Bin; Li, Xiao-Long; Lai, Chuan; Li, Tao; Chen, Luo; Feng, Jian-Shen; Bai, Xiao-Xue; Wu, Yu; Wu, Wei-Ping; Zhang, Dong-Liang; Gu, Yun-Tian","Tartrate-stabilized titanium‒oxo clusters containing sulfonate chromophore ligands: synthesis, crystal structures and photochemical properties","New Journal of Chemistry","2021","45","24","10930","10939","10.1039/D1NJ01540K","","","0.71073","MoKα","","0.1374","0.0665","","","0.1356","0.1603","","","","","","0.952","","","","has coordinates","267207","2021-07-05","18:03:48",""
"7060678","20.766","0.0003","13.94118","0.00018","24.7923","0.0003","90","","90","","90","","7177.43","0.16","250","0.1","250","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H90 O26 P2 Ti6 -","- C56 H90 O26 P2 Ti6 -","- C224 H360 O104 P8 Ti24 -","4","0.5","","Mou, Wen-Yu; Xie, Bin; Li, Xiao-Long; Lai, Chuan; Li, Tao; Chen, Luo; Feng, Jian-Shen; Bai, Xiao-Xue; Wu, Yu; Wu, Wei-Ping; Zhang, Dong-Liang; Gu, Yun-Tian","Tartrate-stabilized titanium‒oxo clusters containing sulfonate chromophore ligands: synthesis, crystal structures and photochemical properties","New Journal of Chemistry","2021","45","24","10930","10939","10.1039/D1NJ01540K","","x-ray","1.54184","CuKα","","0.0764","0.0641","","","0.1786","0.1956","","","","","","1.036","","","","has coordinates,has disorder","267207","2021-07-05","18:03:48",""
"7060679","31.1547","0.0013","31.1547","0.0013","14.2193","0.0007","90","","90","","120","","11952.4","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C25 H35 Cl2 N3 O Ru -","- C25 H35 Cl2 N3 O Ru -","- C450 H630 Cl36 N54 O18 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0878","0.0542","","","0.1138","0.1267","","","","","","1.04","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060680","13.5366","0.0007","13.6516","0.0007","16.3238","0.0009","90","","107.046","0.004","90","","2884.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl2 N2 Ru -","- C32 H34 Cl2 N2 Ru -","- C128 H136 Cl8 N8 Ru4 -","4","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0602","0.0357","","","0.0683","0.0735","","","","","","0.931","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060681","30.0916","0.0015","30.0916","0.0015","13.669","0.0007","90","","90","","120","","10719.1","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C21 H28 Cl2 N2 O2 Ru -","- C21 H28 Cl2 N2 O2 Ru -","- C378 H504 Cl36 N36 O36 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0769","0.0385","","","0.0667","0.0752","","","","","","0.926","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060682","13.4953","0.0007","13.5037","0.0006","15.368","0.0009","90","","103.766","0.004","90","","2720.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl2 N2 Ru -","- C30 H30 Cl2 N2 Ru -","- C120 H120 Cl8 N8 Ru4 -","4","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0572","0.0362","","","0.0682","0.0734","","","","","","1.01","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060683","30.6323","0.0009","30.6323","0.0009","14.2515","0.0004","90","","90","","120","","11581.1","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C23 H32 Cl2 N2 O2 Ru -","- C23 H32 Cl2 N2 O2 Ru -","- C414 H576 Cl36 N36 O36 Ru18 -","18","1","","Çiçek, Metin; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail; İspir, Esin","Half-sandwich Ru(ii) arene complexes bearing benzimidazole ligands for the N-alkylation reaction of aniline with alcohols in a solvent-free medium","New Journal of Chemistry","2021","45","25","11075","11085","10.1039/D1NJ01539G","","","0.71073","MoKα","","0.0583","0.0376","","","0.0831","0.0895","","","","","","1.017","","","","has coordinates","267217","2021-07-05","18:05:15",""
"7060684","19.2398","0.0013","8.8918","0.0006","18.0426","0.0009","90","","116.868","0.002","90","","2753.5","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 -","- C38 H27 N3 -","- C152 H108 N12 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.0971","0.0492","","","0.1037","0.1278","","","","","","1.027","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060685","18.92","0.011","8.897","0.007","17.812","0.01","90","","116.82","0.02","90","","2676","3","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N4 -","- C37 H26 N4 -","- C148 H104 N16 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.1518","0.0794","","","0.2049","0.2763","","","","","","1.043","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060686","19.2475","0.0018","8.936","0.0008","18.0898","0.0019","90","","117.001","0.003","90","","2772.2","0.5","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H27 N3 -","- C38 H27 N3 -","- C152 H108 N12 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.0921","0.0528","","","0.1179","0.137","","","","","","1.022","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060687","19.065","0.014","8.994","0.007","17.864","0.014","90","","116.751","0.013","90","","2735","4","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N4 -","- C37 H26 N4 -","- C148 H104 N16 -","4","1","","Ge, Yuxi; Huang, Bin","Light-emitting analogues based on triphenylamine modified quinoxaline and pyridine[2,3-b]pyrazine exhibiting different mechanochromic luminescence","New Journal of Chemistry","2021","45","25","11304","11312","10.1039/D1NJ01350E","","","0.71073","MoKα","","0.1393","0.0591","","","0.1389","0.1814","","","","","","0.97","","","","has coordinates","267222","2021-07-05","18:06:12",""
"7060688","9.7194","0.0009","8.3786","0.0007","17.7045","0.0015","90","","95.021","0.003","90","","1436.2","0.2","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 N6 O10 Sr -","- C6 H12 N6 O10 Sr -","- C24 H48 N24 O40 Sr4 -","4","0.5","","Huang, Yao; Peng, Rufang; Jin, Bo","An efficient strontium-based combustion inhibitor of ammonium perchlorate with a 2D-MOF structure","New Journal of Chemistry","2021","45","25","11068","11074","10.1039/D0NJ06239A","","","0.71073","MoKα","","0.0238","0.0216","","","0.0496","0.0502","","","","","","1.152","","","","has coordinates","267216","2021-07-05","18:04:59",""
"7060689","9.177","0.004","12.753","0.005","11.653","0.004","90","","123.03","0.02","90","","1143.4","0.8","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H18 F N3 O2 -","- C29 H18 F N3 O2 -","- C58 H36 F2 N6 O4 -","2","1","","Yadav, Rahul; Parvin, Tasneem","Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding","New Journal of Chemistry","2021","45","23","10388","10395","10.1039/D1NJ00770J","","","0.71073","MoKα","","0.2444","0.0817","","","0.1479","0.2121","","","","","","1.026","","","","has coordinates","267225","2021-07-05","18:06:39",""
"7060690","10.6575","0.0007","10.8837","0.0007","11.685","0.0008","110.376","0.002","102.926","0.002","108.235","0.002","1119.38","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 Br N3 O2 -","- C29 H18 Br N3 O2 -","- C58 H36 Br2 N6 O4 -","2","1","","Yadav, Rahul; Parvin, Tasneem","Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding","New Journal of Chemistry","2021","45","23","10388","10395","10.1039/D1NJ00770J","","","0.71073","MoKα","","0.15","0.057","","","0.0735","0.0932","","","","","","1.01","","","","has coordinates","267225","2021-07-05","18:06:39",""
"7060691","25.378","0.003","10.2854","0.0012","21.374","0.003","90","","110.16","0.001","90","","5237.3","1.1","293","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H30.5 Cl N P Pd -","- C29.5 H30.5 Cl N P Pd -","- C236 H244 Cl8 N8 P8 Pd8 -","8","1","","Saha, Debajyoti; Sepay, Nayim","Fluxional chloro-pyrrole‒Pd(ii) complex to cationic η2-pyrrole‒Pd(ii) complex: subtlety in structure-directed bonding mode","New Journal of Chemistry","2021","45","24","10594","10598","10.1039/D1NJ00866H","","","0.71073","MoKα","","0.0531","0.0358","","","0.0862","0.096","","","","","","1.027","","","","has coordinates,has disorder","267208","2021-07-05","18:03:55",""
"7060692","8.9132","0.0008","11.1285","0.001","14.9029","0.0014","89.114","0.002","75.267","0.002","81.91","0.002","1415.1","0.2","293","2","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 F6.18 N P Pd Sb -","- C27 H27 F6.173 N P Pd Sb -","- C54 H54 F12.346 N2 P2 Pd2 Sb2 -","2","1","","Saha, Debajyoti; Sepay, Nayim","Fluxional chloro-pyrrole‒Pd(ii) complex to cationic η2-pyrrole‒Pd(ii) complex: subtlety in structure-directed bonding mode","New Journal of Chemistry","2021","45","24","10594","10598","10.1039/D1NJ00866H","","","0.71073","MoKα","","0.0381","0.0294","","","0.0731","0.0777","","","","","","1.04","","","","has coordinates,has disorder","267208","2021-07-05","18:03:55",""
"7060693","9.9944","0.0011","16.6828","0.0018","16.8624","0.0018","117.285","0.003","92.754","0.004","90.642","0.004","2494.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","2","","Ding, Ran; Fu, Jian-Ming; Tian, Hai-Yu; Chen, Nian-Shou; Liu, Lei; Guo, Yu; Wang, Pei-Long","Sulfonyl radical-induced regioselective cyclization of 3-aza-1,5-enynes with sulfonyl chlorides to produce 1,2-dihydropyridines by copper catalysis","New Journal of Chemistry","2021","45","25","11030","11034","10.1039/D1NJ01821C","","","0.71073","MoKα","","0.1188","0.0743","","","0.1941","0.2195","","","","","","1.024","","","","has coordinates","267221","2021-07-05","18:06:03",""
"7060694","8.2548","0.0013","10.453","0.0017","13.508","0.002","93.199","0.005","99.554","0.004","106.901","0.004","1093.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N10 O4 -","- C5 H6 N10 O4 -","- C20 H24 N40 O16 -","4","2","","Yang, Rui; Liu, Yifei; Dong, Zhen; Li, Haiyan; Ye, Zhiwen","3-R-4-(5-Methyleneazide-1,2,4-oxadiazol-3-yl)furazan and its ionic salts as low-sensitivity and high-detonation energetic materials","New Journal of Chemistry","2021","45","25","11380","11389","10.1039/D1NJ01099A","","","0.71073","MoKα","","0.1521","0.0688","","","0.1551","0.1897","","","","","","1.016","","","","has coordinates","267218","2021-07-05","18:05:23",""
"7060695","19.831","0.002","5.3577","0.0005","7.8562","0.0009","90","","90","","90","","834.71","0.15","293","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C5 H4 N8 O2 -","- C5 H4 N8 O2 -","- C20 H16 N32 O8 -","4","1","","Yang, Rui; Liu, Yifei; Dong, Zhen; Li, Haiyan; Ye, Zhiwen","3-R-4-(5-Methyleneazide-1,2,4-oxadiazol-3-yl)furazan and its ionic salts as low-sensitivity and high-detonation energetic materials","New Journal of Chemistry","2021","45","25","11380","11389","10.1039/D1NJ01099A","","","0.71073","MoKα","","0.0796","0.0503","","","0.1122","0.1215","","","","","","1.079","","","","has coordinates","267218","2021-07-05","18:05:23",""
"7060696","15.3065","0.0006","13.8547","0.0005","15.6247","0.0006","90","","94.198","0.002","90","","3304.6","0.2","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 Cl2 F3 N3 O4 P Ru -","- C30 H35 Cl2 F3 N3 O4 P Ru -","- C120 H140 Cl8 F12 N12 O16 P4 Ru4 -","4","1","","Hkiri, Shaima; Gourlaouen, Christophe; Touil, Soufiane; Samarat, Ali; Sémeril, David","1,3,4-Oxadiazole-functionalized α-amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones","New Journal of Chemistry","2021","45","25","11327","11335","10.1039/D1NJ01861B","","","0.71073","MoKα","","0.0326","0.0282","","","0.0662","0.0692","","","","","","1.048","","","","has coordinates","267219","2021-07-05","18:05:30",""
"7060697","8.8977","0.0011","12.5369","0.0014","19.514","0.002","90.816","0.004","94.235","0.004","103.384","0.004","2110.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 N3 O5 P -","- C20 H24 N3 O5 P -","- C80 H96 N12 O20 P4 -","4","2","","Hkiri, Shaima; Gourlaouen, Christophe; Touil, Soufiane; Samarat, Ali; Sémeril, David","1,3,4-Oxadiazole-functionalized α-amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones","New Journal of Chemistry","2021","45","25","11327","11335","10.1039/D1NJ01861B","","","0.71073","MoKα","","0.1022","0.0823","","","0.2225","0.2412","","","","","","1.036","","","","has coordinates","267219","2021-07-05","18:05:31",""
"7060698","11.2342","0.0006","17.0441","0.001","16.4074","0.0008","90","","92.713","0.002","90","","3138.1","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Cl2 N3 O5 P Ru -","- C30 H38 Cl2 N3 O5 P Ru -","- C120 H152 Cl8 N12 O20 P4 Ru4 -","4","1","","Hkiri, Shaima; Gourlaouen, Christophe; Touil, Soufiane; Samarat, Ali; Sémeril, David","1,3,4-Oxadiazole-functionalized α-amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones","New Journal of Chemistry","2021","45","25","11327","11335","10.1039/D1NJ01861B","","","0.71073","MoKα","","0.0485","0.0417","","","0.0904","0.0948","","","","","","1.075","","","","has coordinates,has disorder","267219","2021-07-05","18:05:31",""
"7060699","8.6861","0.0014","21.538","0.003","13.065","0.002","90","","109.378","0.005","90","","2305.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br N3 O3 -","- C26 H20 Br N3 O3 -","- C104 H80 Br4 N12 O12 -","4","1","","Yue, Guizhou; Jiang, Dan; Dou, Zhengjie; Li, Sicheng; Feng, Juhua; Zhang, Li; Chen, Huabao; Yang, Chunping; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Lu, Cuifen","Rapid umpolung Michael addition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2021","45","26","11712","11718","10.1039/D1NJ00960E","","","0.71073","MoKα","","0.0786","0.0547","","","0.1274","0.1412","","","","","","1.03","","","","has coordinates","268880","2021-09-06","12:07:24",""
"7060700","8.1785","0.0014","25.516","0.004","12.111","0.002","90","","90","","90","","2527.4","0.7","273","2","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C27 H21 Br N2 O3 -","- C27 H21 Br N2 O3 -","- C108 H84 Br4 N8 O12 -","4","1","","Yue, Guizhou; Jiang, Dan; Dou, Zhengjie; Li, Sicheng; Feng, Juhua; Zhang, Li; Chen, Huabao; Yang, Chunping; Yin, Zhongqiong; Song, Xu; Liang, Xiaoxia; Wang, Xianxiang; Lu, Cuifen","Rapid umpolung Michael addition of isatin N,N′-cyclic azomethine imine 1,3-dipoles with chalcones","New Journal of Chemistry","2021","45","26","11712","11718","10.1039/D1NJ00960E","","","0.71073","MoKα","","0.114","0.0776","","","0.2335","0.2613","","","","","","1.085","","","","has coordinates","268880","2021-09-06","12:07:24",""
"7060701","3.668","0.003","12.731","0.009","10.435","0.007","90","","90.672","0.008","90","","487.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H13 N11 O2 -","- C4 H11 N11 O2 -","- C8 H22 N22 O4 -","2","1","","Yin, Zhaoyang; Dong, Yaqun; Zeng, Zhiwei; Huang, Wei; Tang, Yongxing","Crystal Structures and Properties of High-nitrogen Energetic Salts Based on (Z)-1,1-diamino-2-nitro-2-(1H-tetrazol-5-yl)ethene","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01751A","","","0.71073","MoKα","","0.0623","0.0473","","","0.101","0.1071","","","","","","1.015","","","","has coordinates","265573","2021-05-28","03:30:29",""
"7060702","6.8842","0.0015","11.841","0.003","13.831","0.003","90","","98.291","0.003","90","","1115.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N13 O2 -","- C4 H13 N13 O2 -","- C16 H52 N52 O8 -","4","1","","Yin, Zhaoyang; Dong, Yaqun; Zeng, Zhiwei; Huang, Wei; Tang, Yongxing","Crystal Structures and Properties of High-nitrogen Energetic Salts Based on (Z)-1,1-diamino-2-nitro-2-(1H-tetrazol-5-yl)ethene","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01751A","","","0.71073","MoKα","","0.0394","0.0363","","","0.1229","0.1302","","","","","","1.036","","","","has coordinates","265573","2021-05-28","03:30:42",""
"7060703","8.413","0.0004","9.8706","0.0004","11.1959","0.0004","85.603","0.002","86.325","0.002","83.788","0.002","920.08","0.07","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N10 O2 -","- C4 H10 N10 O2 -","- C16 H40 N40 O8 -","4","2","","Yin, Zhaoyang; Dong, Yaqun; Zeng, Zhiwei; Huang, Wei; Tang, Yongxing","Crystal Structures and Properties of High-nitrogen Energetic Salts Based on (Z)-1,1-diamino-2-nitro-2-(1H-tetrazol-5-yl)ethene","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01751A","","","0.71073","MoKα","","0.042","0.034","","","0.0863","0.0933","","","","","","1.0696","","","","has coordinates","265573","2021-05-28","03:30:54",""
"7060704","9.8884","0.0004","10.9455","0.0005","12.6252","0.0005","90","","91.519","0.004","90","","1365.99","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N5 S -","- C13 H15 N5 S -","- C52 H60 N20 S4 -","4","1","","Grytsai, Oleksandr; Gonçalves, Leticia Christina Pires; Bardovskyi, Rostyslav; Hamouda-Tekaya, Nedra; Rocchi, Stéphane; Ronco, Cyril; Benhida, Rachid","Arylbiamidines: synthesis and structural studies en route to anticancer applications","New Journal of Chemistry","2021","45","27","11893","11897","10.1039/D1NJ01943K","","x-ray","1.54184","CuKα","","0.0618","0.0436","","","0.1128","0.1294","","","","","","1.025","","","","has coordinates","268860","2021-09-06","12:01:41",""
"7060705","12.5147","0.001","14.4871","0.0013","13.4749","0.0011","90","","107.825","0.002","90","","2325.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl3 N6 Ni O4 -","- C18 H21 Cl3 N6 Ni O4 -","- C72 H84 Cl12 N24 Ni4 O16 -","4","1","","Pal, Pampi; Das, Kinsuk; Hossain, Anowar; Gomila, Rosa M.; Frontera, Antonio; Mukhopadhyay, Subrata","Synthesis and crystal structure of the simultaneous binding of Ni(ii) cation and chloride by the protonated 2,4,6 tris-(2-pyridyl)-1,3,5 triazine ligand: theoretical investigations of anion⋯π, π⋯π and hydrogen bonding interactions","New Journal of Chemistry","2021","45","26","11689","11696","10.1039/D1NJ01880A","","","0.71073","MoKα","","0.0315","0.0246","","","0.0549","0.0591","","","","","","1.049","","","","has coordinates","268881","2021-09-06","12:07:31",""
"7060706","16.793","0.003","9.9261","0.0018","19.198","0.004","90","","90","","90","","3200.1","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl N3 Ni O2 -","- C15 H20 Cl N3 Ni O2 -","- C120 H160 Cl8 N24 Ni8 O16 -","8","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0272","0.0231","","","0.0552","0.0575","","","","","","1.028","","","","has coordinates","268858","2021-09-06","12:01:17",""
"7060707","9.9695","0.0004","10.0137","0.0003","21.4431","0.0007","90","","90","","90","","2140.7","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl N3 Ni O2 -","- C22 H26 Cl N3 Ni O2 -","- C88 H104 Cl4 N12 Ni4 O8 -","4","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0338","0.0264","","","0.0557","0.0585","","","","","","1.036","","","","has coordinates","268858","2021-09-06","12:01:18",""
"7060708","9.7315","0.0003","9.8437","0.0003","21.184","0.0007","90","","90","","90","","2029.3","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 Cl N3 Ni O2 -","- C19 H28 Cl N3 Ni O2 -","- C76 H112 Cl4 N12 Ni4 O8 -","4","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0193","0.0187","","","0.0481","0.0483","","","","","","1.03","","","","has coordinates,has disorder","268858","2021-09-06","12:01:18",""
"7060709","10.2904","0.0005","21.3262","0.0009","15.8441","0.0007","90","","93.987","0.002","90","","3468.7","0.3","273","2","273.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68.71 H75.43 Br2 Cu4 N4 O14 -","- C68.712 H75.424 Br2 Cu4 N4 O14 -","- C137.424 H150.848 Br4 Cu8 N8 O28 -","2","1","","Liu, Meiying; Liang, Jingjing; Liu, Zhiliang","Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters","New Journal of Chemistry","2021","45","27","12091","12096","10.1039/D1NJ01894A","","","0.71073","MoKα","","0.0408","0.0307","","","0.0681","0.0723","","","","","","1.072","","","","has coordinates,has disorder","268851","2021-09-06","11:59:55",""
"7060710","10.4998","0.0019","25.108","0.005","15.766","0.003","90","","109.173","0.005","90","","3925.8","1.3","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C70 H76 Cl2 Cu4 N4 O14 -","- C70 H76 Cl2 Cu4 N4 O14 -","- C140 H152 Cl4 Cu8 N8 O28 -","2","1","","Liu, Meiying; Liang, Jingjing; Liu, Zhiliang","Modulating the ferroelectric performance by altering halogen anions in the crystals of tetranuclear copper-clusters","New Journal of Chemistry","2021","45","27","12091","12096","10.1039/D1NJ01894A","","","0.71073","MoKα","","0.1177","0.1099","","","0.2856","0.2966","","","","","","1.067","","","","has coordinates","268851","2021-09-06","11:59:56",""
"7060711","15.6822","0.0014","15.7587","0.0014","19.2295","0.0017","90","","100.549","0.003","90","","4671.9","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 N10 O9 Zn3 -","- C44 H54 N10 O9 Zn3 -","- C176 H216 N40 O36 Zn12 -","4","0.5","","Ghosh, Mrinmoy; Biswas, Samik; Roy, Moumita; Biswas, Saptarshi; Ghosh, Pameli; Koner, Subratanath; Mandal, Supratim; Saha, Sandip","A trinuclear Zn(ii) Schiff base azido compound: synthesis, structure and exploration of antimicrobial activity","New Journal of Chemistry","2021","45","27","12296","12304","10.1039/D1NJ00468A","","","0.71073","MoKα","","0.0316","0.0248","","","0.0629","0.0684","","","","","","1.068","","","","has coordinates,has disorder","268855","2021-09-06","12:00:29",""
"7060712","19.5053","0.0001","19.5053","0.0001","7.9076","0.0001","90","","90","","120","","2605.44","0.04","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C17 H9 F9 N2 O -","- C17 H9 F9 N2 O -","- C102 H54 F54 N12 O6 -","6","1","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0343","0.0332","","","0.09","0.091","","","","","","1.054","","","","has coordinates","268841","2021-09-06","11:58:40",""
"7060713","12.5454","0.0002","8.1267","0.00015","15.8452","0.0002","90","","108.614","0.0017","90","","1530.96","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0407","0.0387","","","0.1018","0.1042","","","","","","1.033","","","","has coordinates","268841","2021-09-06","11:58:40",""
"7060714","8.14933","0.00008","10.51816","0.00009","36.3202","0.0003","90","","90","","90","","3113.22","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C136 H120 F24 N16 O8 -","8","2","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0278","0.0267","","","0.0688","0.0697","","","","","","1.054","","","","has coordinates","268841","2021-09-06","11:58:41",""
"7060715","10.1879","0.0003","10.2669","0.0003","13.3549","0.0004","103.929","0.003","110.726","0.003","100.441","0.002","1212.24","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Cl2 F N6 O P3 -","- C16 H28 Cl2 F N6 O P3 -","- C32 H56 Cl4 F2 N12 O2 P6 -","2","1","","Mutlu, Ömer Faruk; Binici, Arzu; Okumuş, Aytuğ; Elmas, Gamze; Çoşut, Bünyemin; Kılıç, Zeynel; Hökelek, Tuncer","Phosphorus‒nitrogen compounds. Part 54. syntheses of chiral amino-4-fluorobenzyl-spiro(N/O)cyclotriphosphazenes: structural and stereogenic properties","New Journal of Chemistry","2021","45","27","12178","12192","10.1039/D1NJ00934F","","","0.71073","MoKα","","0.0652","0.0539","","","0.1412","0.1508","","","","","","1.055","","","","has coordinates","268854","2021-09-06","12:00:22",""
"7060716","14.8749","0.0002","22.8089","0.0002","10.34","0.0001","90","","90","","90","","3508.16","0.07","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C36 H42 I2 N4 Zn -","- C36 H42 I2 N4 Zn -","- C144 H168 I8 N16 Zn4 -","4","0.5","","Caruso, Manfredi; Cametti, Massimo; Rissanen, Kari; Martí-Rujas, Javier","Selective guest inclusion of linear C6 hydrocarbons in a Zn(ii) 1D coordination polymer","New Journal of Chemistry","2021","45","28","12448","12452","10.1039/D1NJ02175C","","","0.82656","Synchrotron","","0.0941","0.0908","","","0.2627","0.2666","","","","","","1.08","","","","has coordinates","268845","2021-09-06","11:59:06",""
"7060717","9.3185","0.0004","11.3873","0.0004","20.1187","0.0007","86.468","0.003","80.778","0.003","66.09","0.004","1926.4","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H55 N3 O2 -","- C44 H55 N3 O2 -","- C88 H110 N6 O4 -","2","1","","Zhang, Yujian; Wen, Li; Sun, Jingwei; Li, Chengjian; Zhu, chenfei; Zhang, Xi; Wang, Zhenbo; Lv, Chunyan; Song, Qingbao","Rich-Colour Mechanochromism of a Cyanostilbene Derivative with Chiral Self-Assembly","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01528A","","","1.54184","CuKα","","0.08","0.0789","","","0.189","0.1927","","","","","","1.043","","","","has coordinates,has disorder","266345","2021-06-10","03:45:15",""
"7060718","6.6968","0.0003","28.3884","0.0015","11.8736","0.0006","90","","93.97","0.002","90","","2251.89","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 B Fe N O2 -","- C25 H26 B Fe N O2 -","- C100 H104 B4 Fe4 N4 O8 -","4","1","","Viswanathan, Thamodharan; Palanisami, Nallasamy","Ferrocene-appended boronated ester: effect of cyanovinylene group on the nonlinear optical properties and colorimetric detection of fluoride ion","New Journal of Chemistry","2021","45","28","12509","12518","10.1039/D1NJ01652K","","","0.71073","MoKα","","0.0695","0.0482","","","0.1072","0.1192","","","","","","1.066","","","","has coordinates,has disorder","268848","2021-09-06","11:59:27",""
"7060719","7.5572","0.0009","13.6372","0.0016","22.295","0.003","72.523","0.001","89.93","0.001","81.09","0.001","2162.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 S2 Si4 -","- C40 H66 S2 Si4 -","- C80 H132 S4 Si8 -","2","1","","Obayashi, Kotaro; Higashino, Taiki; Imato, Keiichi; Ooyama, Yousuke","Synthesis, photophysical and electrochemical properties of 1,1′,3,3′-tetrasubstituted-4,4′-bibenzo[c]thiophene derivatives with different substituents on the thiophene rings","New Journal of Chemistry","2021","45","30","13258","13261","10.1039/D1NJ02498A","","","0.71073","MoKa","","0.0681","0.0449","","","0.0991","0.1092","","","","","","1.011","","","","has coordinates","268882","2021-09-06","12:08:01",""
"7060720","22.03","0.0017","7.548","0.0006","20.8392","0.0016","90","","121.727","0.001","90","","2947.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H38 O2 S2 Si2 -","- C30 H38 O2 S2 Si2 -","- C120 H152 O8 S8 Si8 -","4","0.5","","Obayashi, Kotaro; Higashino, Taiki; Imato, Keiichi; Ooyama, Yousuke","Synthesis, photophysical and electrochemical properties of 1,1′,3,3′-tetrasubstituted-4,4′-bibenzo[c]thiophene derivatives with different substituents on the thiophene rings","New Journal of Chemistry","2021","45","30","13258","13261","10.1039/D1NJ02498A","","","0.71073","MoKa","","0.0462","0.0426","","","0.1152","0.1178","","","","","","1.144","","","","has coordinates","268882","2021-09-06","12:08:02",""
"7060721","8.532","0.0017","15.288","0.003","12.596","0.003","90","","107.57","0.003","90","","1566.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 Br2 Cu N5 O2 -","- C10 H17 Br2 Cu N5 O2 -","- C40 H68 Br8 Cu4 N20 O8 -","4","1","","Tupolova, Yulia P.; Levchenkov, Sergey I.; Popov, Leonid D.; Lebedev, Vladimir E.; Minin, Vadim V.; Efimov, Nikolay N.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Zubenko, Alexander A.; Shcherbakov, Igor N.","Unprecedented interplay of antiferro- and ferromagnetic exchange interactions through intermolecular hydrogen bonds in mononuclear Cu(ii) complexes","New Journal of Chemistry","2021","45","27","12236","12246","10.1039/D1NJ01440D","","","0.71073","MoKα","","0.055","0.0302","","","0.0625","0.0702","","","","","","1.006","","","","has coordinates","268853","2021-09-06","12:00:12",""
"7060722","6.8717","0.0014","23.169","0.005","9.1083","0.0018","90","","93.73","0.03","90","","1447.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Cl2 Cu N5 O -","- C10 H15 Cl2 Cu N5 O -","- C40 H60 Cl8 Cu4 N20 O4 -","4","1","","Tupolova, Yulia P.; Levchenkov, Sergey I.; Popov, Leonid D.; Lebedev, Vladimir E.; Minin, Vadim V.; Efimov, Nikolay N.; Lazarenko, Vladimir A.; Zubavichus, Yan V.; Zubenko, Alexander A.; Shcherbakov, Igor N.","Unprecedented interplay of antiferro- and ferromagnetic exchange interactions through intermolecular hydrogen bonds in mononuclear Cu(ii) complexes","New Journal of Chemistry","2021","45","27","12236","12246","10.1039/D1NJ01440D","","","0.9626","synchrotron","","0.1214","0.1079","","","0.233","0.2507","","","","","","1.045","","","","has coordinates","268853","2021-09-06","12:00:15",""
"7060723","18.9979","0.0008","13.7617","0.0004","25.5949","0.0016","90","","104.624","0.006","90","","6474.8","0.6","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O9 -","- C36 H31 N O9 -","- C288 H248 N8 O72 -","8","2","","Zhou, Wei; Li, Zheng; Tian, You-Ping; Han, Xiao-Xue; Liu, Xiong-Li","Chromone‒indanedione reactant: a bifunctional 3C synthon for diastereoselective construction of skeleton-diversified bispiro-[chromanocyclopentane-oxindole-indanedione]","New Journal of Chemistry","2021","45","28","12356","12361","10.1039/D1NJ02257A","","x-ray","1.54184","CuKα","","0.1194","0.0926","","","0.2345","0.2529","","","","","","1.039","","","","has coordinates","268846","2021-09-06","11:59:16",""
"7060724","24.279","0.003","13.6963","0.0009","19.1934","0.0011","90","","97.378","0.008","90","","6329.6","1","149.99","0.1","149.99","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C35 H28 Cl N O8 -","- C35 H28 Cl N O8 -","- C280 H224 Cl8 N8 O64 -","8","1","","Zhou, Wei; Li, Zheng; Tian, You-Ping; Han, Xiao-Xue; Liu, Xiong-Li","Chromone‒indanedione reactant: a bifunctional 3C synthon for diastereoselective construction of skeleton-diversified bispiro-[chromanocyclopentane-oxindole-indanedione]","New Journal of Chemistry","2021","45","28","12356","12361","10.1039/D1NJ02257A","","x-ray","1.54184","CuKα","","0.1089","0.0926","","","0.2966","0.3112","","","","","","1.081","","","","has coordinates","268846","2021-09-06","11:59:16",""
"7060725","10.4557","0.0003","15.3711","0.0004","13.4947","0.0003","90","","92.266","0.001","90","","2167.11","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H35 Ge N O -","- C24 H35 Ge N O -","- C96 H140 Ge4 N4 O4 -","4","2","","Arsenyeva, Kseniya Vital'evna; Pashanova, Kira Igorevna; Trofimova, Olesya Yur'evna; Ershova, Irina V.; Chegerev, Maxim G.; Starikova, Alyona A.; Cherkasov, Anton Vladimirovich; Syroeshkin, Mikhail A.; Kozmenkova, Anna Ya.; Piskunov, Alexandr Vladimirovich","O,N-HETEROCYCLIC GERMYLENES AS EFFICIENT CATALYSTS FOR HYDROBORATION AND CYANOSILYLATION OF BENZALDEHYDE","New Journal of Chemistry","2021","","","","","10.1039/D1NJ01644J","","","0.71073","MoKα","","0.0291","0.0278","","","0.0701","0.0709","","","","","","1.03","","","","has coordinates","266389","2021-06-11","03:40:22",""
"7060726","13.5003","0.0008","4.557","0.0003","23.5269","0.0017","90","","102.166","0.007","90","","1414.89","0.17","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H34 O5 S -","- C33 H34 O5 S -","- C66 H68 O10 S2 -","2","1","","Iwakura, Izumi; Hashimoto, Sena; Okamura, Kotaro; Komori-Orisaku, Keiko; Akai, Shoji; Yabushita, Atsushi","Crystallization of highly soluble thioglucopyranoside ejected by coherent molecular vibrational excitation using a visible 10 fs pulsed laser","New Journal of Chemistry","2021","45","28","12346","12350","10.1039/D1NJ01429C","","","0.71075","MoKα","","0.0783","0.059","","","0.1393","0.1498","","","","","","1.06","","","","has coordinates","268840","2021-09-06","11:58:31",""
"7060727","20.4907","0.0002","5.32821","0.00005","13.26611","0.00011","90","","100.586","0.0009","90","","1423.73","0.02","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O S4 -","- C13 H14 O S4 -","- C52 H56 O4 S16 -","4","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0368","0.0336","","","0.0881","0.0906","","","","","","1.055","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060728","10.1138","0.0001","13.0705","0.0002","21.6545","0.0002","98.305","0.001","93.353","0.001","94.955","0.001","2814.64","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H26 O2 S8 -","- C26 H26 O2 S8 -","- C104 H104 O8 S32 -","4","2","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0785","0.0651","","","0.1859","0.1957","","","","","","1.038","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060729","10.0328","0.0004","11.4799","0.0006","12.7909","0.0004","81.281","0.003","88.789","0.003","72.88","0.004","1391.22","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N2 O4 S8 -","- C24 H20 N2 O4 S8 -","- C48 H40 N4 O8 S16 -","2","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0538","0.0462","","","0.1212","0.1255","","","","","","1.083","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060730","8.54193","0.00013","14.0748","0.0003","27.4895","0.0005","90","","97.1341","0.0016","90","","3279.37","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.75 H23.5 Cl1.5 N2 O4 S9 -","- C24.75 H23.5 Cl1.5 N2 O4 S9 -","- C99 H94 Cl6 N8 O16 S36 -","4","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0758","0.0672","","","0.1818","0.1892","","","","","","1.065","","","","has coordinates,has disorder","268850","2021-09-06","11:59:47",""
"7060731","7.3968","0.0003","8.334","0.0002","11.6041","0.0003","82.169","0.002","89.492","0.002","73.337","0.002","678.56","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O2 S4 -","- C12 H11 N O2 S4 -","- C24 H22 N2 O4 S8 -","2","1","","Afzali, Azadeh; Abdollahi, Maryam F.; Zhang, Baiyu; Zhao, Yuming","Donor/acceptor substituted dithiafulvenes and tetrathiafulvalene vinylogues: electronic absorption, crystallographic, and computational analyses","New Journal of Chemistry","2021","45","27","11918","11926","10.1039/D1NJ02124A","","x-ray","1.54184","CuKα","","0.0334","0.0323","","","0.0913","0.0923","","","","","","1.161","","","","has coordinates","268850","2021-09-06","11:59:47",""
"7060732","22.6435","0.0014","6.4529","0.0004","9.0191","0.0006","90","","92.107","0.006","90","","1316.95","0.14","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 I3 N O3 Pb -","- C3 H10 I3 N O3 Pb -","- C12 H40 I12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.062","0.0563","","","0.1515","0.156","","","","","","1.107","","","","has coordinates","268843","2021-09-06","11:58:52",""
"7060733","21.836","0.004","6.0904","0.0011","8.79","0.003","90","","92.41","0.02","90","","1167.9","0.5","296","","296","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 Br3 N O3 Pb -","- C3 H10 Br3 N O3 Pb -","- C12 H40 Br12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0513","0.0436","","","0.0981","0.1037","","","","","","1.061","","","","has coordinates,has disorder","268843","2021-09-06","11:58:53",""
"7060734","22.56","0.003","6.443","0.0005","8.9978","0.0007","90","","92.204","0.009","90","","1306.9","0.2","293","","293","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 I3 N O3 Pb -","- C3 H10 I3 N O3 Pb -","- C12 H40 I12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0946","0.0873","","","0.257","0.2665","","","","","","1.086","","","","has coordinates","268843","2021-09-06","11:58:53",""
"7060735","21.8559","0.0018","6.0868","0.0006","8.7692","0.0008","90","","93.177","0.008","90","","1164.8","0.18","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C3 H10 Br3 N O3 Pb -","- C3 H10 Br3 N O3 Pb -","- C12 H40 Br12 N4 O12 Pb4 -","4","1","","Sirenko, Valerii Y.; Kucheriv, Olesia I.; Naumova, Dina D.; Fesych, Igor V.; Linnik, Rostyslav P.; Dascălu, Ioan-Andrei; Shova, Sergiu; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Chiral organic‒inorganic lead halide perovskites based on α-alanine","New Journal of Chemistry","2021","45","28","12606","12612","10.1039/D1NJ01089A","","","0.71073","MoKα","","0.0694","0.0603","","","0.1401","0.1506","","","","","","1.049","","","","has coordinates,has disorder","268843","2021-09-06","11:58:53",""
"7060736","13.707","0.0008","28.9106","0.0018","13.0438","0.0008","90","","91.887","0.002","90","","5166.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H60 N12 O14 Zn3 -","- C43 H60 N12 O14 Zn3 -","- C172 H240 N48 O56 Zn12 -","4","1","","Das, Amal; Sharma, Pranay; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Ahmed, Ruksana Sultana; Hussain, Sahid; Bhattacharyya, Manjit K.","Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","29","13040","13055","10.1039/D1NJ00619C","","","1.54178","CuKα","","0.0776","0.0769","","","0.1941","0.1944","","","","","","1.372","","","","has coordinates","268837","2021-09-06","11:57:57",""
"7060737","9.558","0.009","9.045","0.009","9.977","0.009","90","","105.39","0.02","90","","831.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O6 Zn -","- C14 H18 N4 O6 Zn -","- C28 H36 N8 O12 Zn2 -","2","0.5","","Das, Amal; Sharma, Pranay; Frontera, Antonio; Barcelo-Oliver, Miquel; Verma, Akalesh K.; Ahmed, Ruksana Sultana; Hussain, Sahid; Bhattacharyya, Manjit K.","Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies","New Journal of Chemistry","2021","45","29","13040","13055","10.1039/D1NJ00619C","","","0.71073","MoKα","","0.0303","0.0229","","","0.0541","0.057","","","","","","1.063","","","","has coordinates","268837","2021-09-06","11:57:58",""
"7060738","10.0153","0.0008","17.3133","0.0014","19.6665","0.0016","90","","103.495","0.003","90","","3316","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 I2 Mn N2 O6 P2 -","- C28 H32 I2 Mn N2 O6 P2 -","- C112 H128 I8 Mn4 N8 O24 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.0589","0.0472","","","0.1777","0.1889","","","","","","1.119","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060739","11.1151","0.0009","14.0317","0.0012","16.0386","0.0014","90","","100.395","0.003","90","","2460.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 I2 Mn N4 O4 P2 -","- C14 H28 I2 Mn N4 O4 P2 -","- C56 H112 I8 Mn4 N16 O16 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.0458","0.0395","","","0.096","0.0986","","","","","","1.094","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060740","11.7628","0.0014","9.0147","0.001","23.078","0.003","90","","103.072","0.004","90","","2383.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Br2 Mn N4 O4 P2 -","- C14 H28 Br2 Mn N4 O4 P2 -","- C56 H112 Br8 Mn4 N16 O16 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.1004","0.0906","","","0.2264","0.2304","","","","","","1.162","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060741","17.291","0.0015","10.3838","0.0009","18.4599","0.0015","90","","103.825","0.003","90","","3218.4","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Br2 Mn N2 O6 P2 -","- C28 H32 Br2 Mn N2 O6 P2 -","- C112 H128 Br8 Mn4 N8 O24 P8 -","4","1","","Bortoluzzi, Marco; Castro, Jesús; Di Vera, Andrea; Palù, Alberto; Ferraro, Valentina","Manganese(ii) bromo- and iodo-complexes with phosphoramidate and phosphonate ligands: synthesis, characterization and photoluminescence","New Journal of Chemistry","2021","45","29","12871","12878","10.1039/D1NJ02053F","","","0.71073","MoKα","","0.0377","0.0284","","","0.0627","0.066","","","","","","1.03","","","","has coordinates","268835","2021-09-06","11:57:16",""
"7060742","22.542","0.002","4.7936","0.0005","6.9265","0.0007","90","","90","","90","","748.46","0.13","297","2","297.15","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H12 B2 O4 -","- C18 H12 B2 O4 -","- C36 H24 B4 O8 -","2","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.0403","0.0319","","","0.0776","0.0828","","","","","","1.045","","","","has coordinates","268833","2021-09-06","11:57:00",""
"7060743","12.9908","0.0004","12.9908","0.0004","30.0245","0.0016","90","","90","","90","","5067","0.3","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H69 Cl2 Eu0.97 N2 O6 -","- C55 H69 Cl2 Eu0.989 N2 O6 -","- C220 H276 Cl8 Eu3.956 N8 O24 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1423","0.1259","","","0.2777","0.287","","","","","","1.078","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060744","12.8865","0.0005","12.8865","0.0005","29.8955","0.0017","90","","90","","90","","4964.5","0.4","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C55 H69 Cl2 Lu N2 O6 -","- C55 H69 Cl2 Lu N2 O6 -","- C220 H276 Cl8 Lu4 N8 O24 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1098","0.07","","","0.1538","0.1728","","","","","","1.093","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060745","12.9011","0.0005","12.9011","0.0005","29.9105","0.0016","90","","90","","90","","4978.3","0.4","296.15","","296.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C47 H53 Cl2 N2 O4 Yb -","- C47 H53 Cl2 N2 O4 Yb -","- C188 H212 Cl8 N8 O16 Yb4 -","4","0.5","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.0837","0.0671","","","0.1542","0.1652","","","","","","1.048","","","","has coordinates,has disorder","268833","2021-09-06","11:57:01",""
"7060746","12.9665","0.0012","12.9771","0.0012","30.056","0.003","90","","90","","90","","5057.4","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H51 Cl2 N2 O4 Sm -","- C47 H53 Cl2 N2 O4 Sm -","- C188 H212 Cl8 N8 O16 Sm4 -","4","1","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1485","0.1025","","","0.2417","0.2686","","","","","","1.037","","","","has coordinates","268833","2021-09-06","11:57:01",""
"7060747","7.495","0.003","9.356","0.004","10.19","0.004","72.347","0.008","87.502","0.009","77.247","0.008","663.9","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 N8 Na2 O10 -","- C6 H4 N8 Na2 O10 -","- C12 H8 N16 Na4 O20 -","2","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.0674","0.0516","","","0.1363","0.1497","","","","","","0.995","","","","has coordinates","268849","2021-09-06","11:59:35",""
"7060748","17.7607","0.0012","6.407","0.0004","30.907","0.002","90","","90","","90","","3517","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Ca N8 O15 -","- C6 H14 Ca N8 O15 -","- C48 H112 Ca8 N64 O120 -","8","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.1363","0.0631","","","0.1269","0.161","","","","","","1.046","","","","has coordinates,has disorder","268849","2021-09-06","11:59:35",""
"7060749","3.4912","0.0002","12.4624","0.0005","17.4963","0.0009","90","","92.169","0.002","90","","760.7","0.07","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Mg N4 O6 -","- C3 H4 Mg N4 O6 -","- C12 H16 Mg4 N16 O24 -","4","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.0587","0.0397","","","0.0907","0.1023","","","","","","1.107","","","","has coordinates","268849","2021-09-06","11:59:35",""
"7060750","7.9777","0.0011","18.001","0.002","9.8873","0.0015","90","","102.334","0.003","90","","1387.1","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ba N8 O11 -","- C6 H6 Ba N8 O11 -","- C24 H24 Ba4 N32 O44 -","4","1","","Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Laser ignition of energetic complexes: impact of metal ion on laser initiation ability","New Journal of Chemistry","2021","45","28","12705","12710","10.1039/D1NJ02345D","","","0.71073","MoKα","","0.0402","0.0321","","","0.0699","0.0754","","","","","","1.036","","","","has coordinates","268849","2021-09-06","11:59:35",""
"7060751","7.936","0.0004","13.5817","0.0007","14.9895","0.0008","67.7447","0.0012","79.9145","0.0013","76.0472","0.0012","1444.83","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H43 B F2 N2 O3 -","- C30 H43 B F2 N2 O3 -","- C60 H86 B2 F4 N4 O6 -","2","1","","Cai, Yi-Hong; Chih, Hsin-Yun; Lee, Gene-Hsiang; Lai, Chung K.","Aggregation-induced emissions in the mesogenic BF2 complexes of aroylhydrazines","New Journal of Chemistry","2021","45","28","12557","12568","10.1039/D1NJ02001C","","","1.54178","CuKα","","0.0413","0.0393","","","0.1081","0.1106","","","","","","1.028","","","","has coordinates","268842","2021-09-06","11:58:46",""
"7060752","21.4898","0.0012","25.2933","0.0009","33.1199","0.0016","90","","90","","90","","18002.3","1.5","100","","100","","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C17 H7 N O18 Zr3 -","- C17 H7 N O18 Zr3 -","- C272 H112 N16 O288 Zr48 -","16","1","","Radha, Govu; Leelasree, T.; Muthukumar, D.; Pillai, Renjith S.; Aggarwal, Himanshu","Highly selective detection of TNP over other nitro compounds in water: the role of selective host‒guest interactions in Zr-NDI MOF","New Journal of Chemistry","2021","45","29","12931","12937","10.1039/D1NJ02343H","","","1.54184","CuKα","","0.0976","0.0716","","","0.2115","0.2586","","","","","","1.0766","","","","has coordinates","268836","2021-09-06","11:57:45",""
"7060753","17.717","0.002","28.415","0.004","18.868","0.003","90","","102.1","0.002","90","","9288","2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C98.5 H81.75 Eu N6.25 O15 Zn2 -","- C98.5 H81.75 Eu N6.25 O15 Zn2 -","- C394 H327 Eu4 N25 O60 Zn8 -","4","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.1739","0.0867","","","0.2008","0.2409","","","","","","1.03","","","","has coordinates,has disorder","268890","2021-09-06","12:12:03",""
"7060754","30.502","0.002","14.3818","0.0011","20.1905","0.0016","90","","100.121","0.001","90","","8719.2","1.1","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H76 Eu N7 O15 Zn2 -","- C102 H76 Eu N7 O15 Zn2 -","- C408 H304 Eu4 N28 O60 Zn8 -","4","0.5","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.0707","0.0507","","","0.1204","0.1311","","","","","","1.032","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060755","16.666","0.005","16.983","0.005","17.358","0.005","67.158","0.005","75.572","0.005","88.289","0.005","4373","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H67 Eu N4 O15 Zn2 -","- C90 H67 Eu N4 O15 Zn2 -","- C180 H134 Eu2 N8 O30 Zn4 -","2","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.2358","0.1237","","","0.3014","0.3815","","","","","","1.014","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060756","11.7393","0.0005","22.1195","0.001","30.8117","0.0013","90","","100.661","0.001","90","","7862.7","0.6","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H68.5 Eu N4.5 O15 Zn2 -","- C91 H68.5 Eu N4.5 O15 Zn2 -","- C364 H274 Eu4 N18 O60 Zn8 -","4","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.0437","0.0318","","","0.0667","0.0709","","","","","","1.034","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060757","11.7358","0.0014","22.044","0.003","30.788","0.004","90","","100.651","0.003","90","","7827.8","1.7","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H68.5 N4.5 O15 Tb Zn2 -","- C91 H68.5 N4.5 O15 Tb Zn2 -","- C364 H274 N18 O60 Tb4 Zn8 -","4","1","","Melnikov, Stanislav N.; Evstifeev, Igor S.; Nikolaveskii, Stanislav A.; Ananyev, Ivan V.; Varaksina, Evgenia A.; Taydakov, Ilya V.; Goloveshkin, Alexander S.; Sidorov, Aleksey A.; Kiskin, Mikhail A.; Eremenko, Igor L.","The effect of terminal N-donor aromatic ligands on the sensitization and emission of lanthanide ions in Zn2Ln (Ln = Eu, Tb) complexes with 4-biphenylcarboxylate anions","New Journal of Chemistry","2021","45","30","13349","13359","10.1039/D0NJ05994C","","","0.71073","MoKα","","0.103","0.0503","","","0.0865","0.1037","","","","","","1.007","","","","has coordinates,has disorder","268890","2021-09-06","12:12:05",""
"7060758","10.0691","0.0003","22.5723","0.0006","13.2877","0.0003","90","","90.541","0.001","90","","3019.93","0.14","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Mn3 N6 O13 -","- C25 H28 Mn3 N6 O13 -","- C100 H112 Mn12 N24 O52 -","4","1","","Khatun, Rousunara; Dolai, Malay; Sasmal, Mihir; Sepay, Nayim; Ali, Mahammad","Bovine serum albumin interactive one dimensional hexanuclear manganese(iii) complex: synthesis, structure, binding and molecular docking studies","New Journal of Chemistry","2021","45","28","12678","12687","10.1039/D1NJ01492G","","","0.71073","MoKα","","0.072","0.0441","","","0.1033","0.1178","","","","","","1.066","","","","has coordinates","268847","2021-09-06","11:59:21",""
"7060759","11.8089","0.0001","14.1846","0.0002","13.2623","0.0002","90","","96.253","0.001","90","","2208.28","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl4 Fe N2 -","- C21 H19 Cl4 Fe N2 -","- C84 H76 Cl16 Fe4 N8 -","4","1","","Zafar, Anham; Imtiaz-ud-Din.,; Ahmed, Safeer; Bučar, Dejan-Krešimir; Tahir, Muhammad Nawaz; Palgrave, Robert G.","Synthesis, structural analysis, electrochemical and magnetic properties of tetrachloroferrate ionic liquids","New Journal of Chemistry","2021","45","30","13429","13440","10.1039/D1NJ01400E","","x-ray","1.54184","CuKα","","0.0256","0.0238","","","0.06","0.0611","","","","","","1.043","","","","has coordinates","268886","2021-09-06","12:08:39",""
"7060760","7.3345","0.0005","15.4892","0.001","12.8785","0.0007","90","","100.608","0.002","90","","1438.06","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Dimethyl-1H-benzimidazol-3-ium tetrachloro-iron(iii)","","- C9 H11 Cl4 Fe N2 -","- C9 H11 Cl4 Fe N2 -","- C36 H44 Cl16 Fe4 N8 -","4","1","","Zafar, Anham; Imtiaz-ud-Din.,; Ahmed, Safeer; Bučar, Dejan-Krešimir; Tahir, Muhammad Nawaz; Palgrave, Robert G.","Synthesis, structural analysis, electrochemical and magnetic properties of tetrachloroferrate ionic liquids","New Journal of Chemistry","2021","45","30","13429","13440","10.1039/D1NJ01400E","","","0.71073","MoKα","","0.0504","0.0336","","","0.0825","0.0925","","","","","","1.02","","","","has coordinates","268886","2021-09-06","12:08:48",""
"7060761","11.0023","0.0006","6.5793","0.0004","18.0616","0.001","90","","91.02","0.002","90","","1307.23","0.13","301","2","301","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B10 La2 Na2 O19 -","- B10 La2 Na2 O19 -","- B40 La8 Na8 O76 -","4","0.5","","Wu, Chengfa; Feng, Junwei; Yu, Feng","Na2La2B10O19: a new lanthanum sodium borate with infinite 2D layer 2∞[B10O19]8− and moderate birefringence","New Journal of Chemistry","2021","45","30","13592","13598","10.1039/D1NJ02547C","","","0.71073","MoKα","","0.0224","0.0175","","","0.0421","0.0442","","","","","","1.071","","","","has coordinates","268885","2021-09-06","12:08:31",""
"7060762","11.4441","0.0002","12.0794","0.0003","14.9188","0.0003","80.24","0.002","82.803","0.002","85.084","0.002","2012.09","0.07","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 K N6 O8 -","- C44 H48 K N6 O8 -","- C88 H96 K2 N12 O16 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V.","Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine","New Journal of Chemistry","2021","45","30","13599","13607","10.1039/D1NJ01636A","","x-ray","0.71073","MoKα","","0.0546","0.0411","","","0.0927","0.0991","","","","","","1.026","","","","has coordinates,has disorder","268888","2021-09-06","12:09:19",""
"7060763","11.6004","0.0004","14.3107","0.0005","15.3727","0.0005","117.003","0.003","96.466","0.002","101.062","0.003","2172.57","0.15","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C55 H40 Cl2 N3 O P2 -","- C55 H40 Cl2 N3 O P2 -","- C110 H80 Cl4 N6 O2 P4 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V.","Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine","New Journal of Chemistry","2021","45","30","13599","13607","10.1039/D1NJ01636A","","x-ray","0.71073","MoKα","","0.0489","0.0418","","","0.1039","0.1086","","","","","","1.022","","","","has coordinates","268888","2021-09-06","12:09:23",""
"7060764","14.1204","0.0001","15.0279","0.0001","18.5452","0.0002","96.861","0.001","93.415","0.001","103.888","0.001","3776.96","0.06","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C81 H70 Cl7 Ga K N12 O7 -","- C81 H70 Cl7 Ga K N12 O7 -","- C162 H140 Cl14 Ga2 K2 N24 O14 -","2","1","","Faraonov, Maxim A.; Romanenko, Nikita R.; Mikhailenko, Maxim V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Konarev, Dmitri V.","Structure and properties of radical anion and dianion salts of organic dye trans-perinone and its mixed salt with gallium(iii) phthalocyanine","New Journal of Chemistry","2021","45","30","13599","13607","10.1039/D1NJ01636A","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0798","0.0809","","","","","","1.016","","","","has coordinates","268888","2021-09-06","12:09:25",""
"7060765","11.0933","0.0005","18.934","0.0009","12.1126","0.0005","90","","90","","90","","2544.1","0.2","300","2","300","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C22 H33 Cl3 Fe N3 O -","- C22 H28 Cl3 Fe N3 O -","- C88 H112 Cl12 Fe4 N12 O4 -","4","0.5","","Melotti, Marcelo; S. S. Paqui, Matheus; Amorim, André L.; P. de Paula, Carla; Rocha, Marina C.; Malavazi, Iran; Cunha, Anderson; S. Santana, Francielli; Ribeiro, Ronny R.; Gariani, Rogério A.; Mendes, Samuel R.; Xavier, Fernando R.","Polypyridyl iron(iii) complexes containing long alkyl chains: synthesis, characterization, DFT calculations and biological activity","New Journal of Chemistry","2021","45","29","12902","12914","10.1039/D0NJ00895H","","","0.71073","MoKα","","0.0384","0.0321","","","0.0813","0.0851","","","","","","1.034","","","","has coordinates","268834","2021-09-06","11:57:06",""
"7060766","13.8948","0.0014","9.0438","0.001","22.866","0.002","90","","106.708","0.005","90","","2752.1","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 B10 Br N O2 -","- C6 H12 B10 Br N O2 -","- C48 H96 B80 Br8 N8 O16 -","8","2","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0338","0.0254","","","0.0608","0.0638","","","","","","1.0373","","","","has coordinates","268857","2021-09-06","12:01:09",""
"7060767","6.9661","0.0017","7.0272","0.0017","11.414","0.003","105.946","0.004","91.131","0.004","95.61","0.004","534","0.2","120","","120","","","","","","","","","6","P 1","P 1","1","","","","- C8 H23 B20 N O2 S -","- C8 H23 B20 N O2 S -","- C8 H23 B20 N O2 S -","1","1","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0576","0.047","","","0.1136","0.12","","","","","","1.0748","","","","has coordinates,has disorder","268857","2021-09-06","12:01:09",""
"7060768","14.919","0.003","9.852","0.002","14.708","0.003","90","","115.775","0.004","90","","1946.7","0.7","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B10 Cl F4 N O2 S -","- C12 H14 B10 Cl F4 N O2 S -","- C48 H56 B40 Cl4 F16 N4 O8 S4 -","4","1","","Ol'shevskaya, Valentina A.; Alpatova, Victoria M.; Makarenkov, Anton V.; Kononova, Elena G.; Smol’yakov, Alexander F.; Peregudov, Alexander S.; Rys, Evgeny G.","Synthesis of maleimide-functionalized carboranes and their utility in Michael addition reactions","New Journal of Chemistry","2021","45","27","12159","12167","10.1039/D1NJ02499J","","","0.71073","MoKα","","0.0448","0.036","","","0.106","0.1096","","","","","","1.0352","","","","has coordinates,has disorder","268857","2021-09-06","12:01:09",""
"7060769","8.1674","0.0007","8.1674","0.0007","7.2665","0.0013","90","","90","","90","","484.72","0.1","273","2","273","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na4 Se4 Sn -","- Na4 Se4 Sn -","- Na8 Se8 Sn2 -","2","0.25","","Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors","New Journal of Chemistry","2021","45","28","12362","12366","10.1039/D1NJ02565A","","","0.71073","MoKα","","0.0225","0.0202","","","0.0414","0.0419","","","","","","0.933","","","","has coordinates","268839","2021-09-06","11:58:15",""
"7060770","7.8419","0.0006","7.8419","0.0006","6.9522","0.0009","90","","90","","90","","427.53","0.07","298","2","298","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- Na4 S4 Sn -","- Na4 S4 Sn -","- Na8 S8 Sn2 -","2","0.25","","Gao, Lihua; Bian, Gang; Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","Na4SnS4 and Na4SnSe4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors","New Journal of Chemistry","2021","45","28","12362","12366","10.1039/D1NJ02565A","","","0.71073","MoKα","","0.0127","0.0117","","","0.0214","0.0216","","","","","","1.051","","","","has coordinates","268839","2021-09-06","11:58:25",""
"7060771","9.6967","0.0005","11.2561","0.0007","21.125","0.0012","76.356","0.002","77.471","0.002","67.677","0.002","2051.8","0.2","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 Br2 Cl2 N3 Ni -","- C46 H41 Br2 Cl2 N3 Ni -","- C92 H82 Br4 Cl4 N6 Ni2 -","2","1","","Sun, Yao; Chi, Mingjun; Bashir, Muhammad Sohail; Wang, Yusong; Qasim, Muhammad","Influence of intramolecular π‒π and H-bonding interactions on pyrazolylimine nickel-catalyzed ethylene polymerization and co-polymerization","New Journal of Chemistry","2021","45","30","13280","13285","10.1039/D1NJ02437J","","","0.71073","MoKα","","0.0888","0.0534","","","0.1131","0.1353","","","","","","1.038","","","","has coordinates,has disorder","268889","2021-09-06","12:09:30",""
"7060772","14.3997","0.0009","14.7521","0.0009","7.6031","0.0005","90","","96.091","0.001","90","","1605.98","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N6 O2 S -","- C16 H18 N6 O2 S -","- C64 H72 N24 O8 S4 -","4","1","","Izmest'ev, Alexei N.; Gazieva, Galina A.; Anikina, Lada V.; Pukhov, Sergey A.; Karnoukhova, Valentina A.; Kolotyrkina, Natalya G.; Kravchenko, Angelina N.","Synthesis and evaluation of the antiproliferative activity of new heterylmethylidene derivatives of imidazothiazolotriazinones","New Journal of Chemistry","2021","45","27","12271","12285","10.1039/D1NJ02163J","","","0.71073","MoKα","","0.0444","0.0352","","","0.0901","0.0957","","","","","","1.036","","","","has coordinates","268852","2021-09-06","12:00:02",""
"7060773","12.22493","0.00015","22.3649","0.0002","19.3523","0.0002","90","","108.084","0.0013","90","","5029.73","0.1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H29 Eu F18 N4 O8 P2 -","- C47 H29 Eu F18 N4 O8 P2 -","- C188 H116 Eu4 F72 N16 O32 P8 -","4","1","","Bryleva, Yuliya A.; Artem’ev, Alexander V.; Glinskaya, Ludmila A.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Komarov, Vladislav Yu.; Rogovoy, Maxim I.; Davydova, Maria P.","Bright photo- and triboluminescence of centrosymmetric Eu(iii) and Tb(iii) complexes with phosphine oxides containing azaheterocycles","New Journal of Chemistry","2021","45","31","13869","13876","10.1039/D1NJ02441H","","x-ray","0.71073","MoKα","","0.0282","0.023","","","0.0551","0.0571","","","","","","1.044","","","","has coordinates,has disorder","268894","2021-09-06","12:13:19",""
"7060774","12.7089","0.0005","17.7622","0.0007","23.0802","0.001","81.09","0.002","88.144","0.002","88.268","0.002","5142.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H31 Eu F18 N2 O8 P2 -","- C49 H31 Eu F18 N2 O8 P2 -","- C196 H124 Eu4 F72 N8 O32 P8 -","4","2","","Bryleva, Yuliya A.; Artem’ev, Alexander V.; Glinskaya, Ludmila A.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Komarov, Vladislav Yu.; Rogovoy, Maxim I.; Davydova, Maria P.","Bright photo- and triboluminescence of centrosymmetric Eu(iii) and Tb(iii) complexes with phosphine oxides containing azaheterocycles","New Journal of Chemistry","2021","45","31","13869","13876","10.1039/D1NJ02441H","","","0.71073","MoKα","","0.0601","0.0378","","","0.0745","0.0824","","","","","","1.01","","","","has coordinates,has disorder","268894","2021-09-06","12:13:22",""
"7060775","12.6533","0.0005","13.3458","0.0005","30.1222","0.0015","90","","90.64","0.004","90","","5086.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H29 Eu F18 N4 O8 P2 -","- C47 H29 Eu F18 N4 O8 P2 -","- C188 H116 Eu4 F72 N16 O32 P8 -","4","1","","Bryleva, Yuliya A.; Artem’ev, Alexander V.; Glinskaya, Ludmila A.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Komarov, Vladislav Yu.; Rogovoy, Maxim I.; Davydova, Maria P.","Bright photo- and triboluminescence of centrosymmetric Eu(iii) and Tb(iii) complexes with phosphine oxides containing azaheterocycles","New Journal of Chemistry","2021","45","31","13869","13876","10.1039/D1NJ02441H","","x-ray","0.71073","MoKα","","0.0481","0.0377","","","0.0774","0.0802","","","","","","1.109","","","","has coordinates,has disorder","268894","2021-09-06","12:13:24",""
"7060776","8.697","0.005","10.798","0.006","13.165","0.007","100.543","0.014","105.004","0.014","113.587","0.014","1035.5","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl N3 O5 Zn -","- C21 H16 Cl N3 O5 Zn -","- C42 H32 Cl2 N6 O10 Zn2 -","2","1","","Bhunia, Suprava; Dutta, Basudeb; Pal, Kunal; Chandra, Angeera; Jana, Kuladip; Sinha, Chittaranjan","Ultra-trace level detection of Cu2+ in an aqueous medium by novel Zn(ii)-dicarboxylato‒pyridyl coordination polymers and cell imaging with HepG2 cells","New Journal of Chemistry","2021","45","31","13941","13948","10.1039/D1NJ00917F","","","0.71073","MoKα","","0.0972","0.0766","","","0.1953","0.2159","","","","","","1.073","","","","has coordinates,has disorder","268896","2021-09-06","12:14:16",""
"7060777","9.0876","0.0007","10.0804","0.0008","11.7778","0.0009","66.626","0.002","75.962","0.002","65.717","0.002","898.68","0.12","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H12 Cl N3 O5 Zn -","- C19 H12 Cl N3 O5 Zn -","- C38 H24 Cl2 N6 O10 Zn2 -","2","1","","Bhunia, Suprava; Dutta, Basudeb; Pal, Kunal; Chandra, Angeera; Jana, Kuladip; Sinha, Chittaranjan","Ultra-trace level detection of Cu2+ in an aqueous medium by novel Zn(ii)-dicarboxylato‒pyridyl coordination polymers and cell imaging with HepG2 cells","New Journal of Chemistry","2021","45","31","13941","13948","10.1039/D1NJ00917F","","","0.71073","MoKα","","0.0251","0.0244","","","0.067","0.0675","","","","","","1.023","","","","has coordinates,has disorder","268896","2021-09-06","12:14:27",""
"7060778","15.1494","0.0001","15.1494","0.0001","12.0558","0.0002","90","","90","","90","","2766.86","0.05","293","2","293","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","","- C11 H13 Fe N O7 -","- C8 H4 Fe O6 -","- C64 H32 Fe8 O48 -","8","0.5","","Xie, A-Di; Hu, Ming-Gai; Luo, Yu-Hui; Zhu, Xiang-Gui; Wang, Zhi-Hui; Geng, Wu-Yue; Zhang, Hao; Zhang, Dong-En; Zhang, Hong","Synthesis of a stable iron(iii)‒organic framework for a visible light induced simultaneous photocatalytic reduction of Cr(vi) and the degradation of organic dyes in water","New Journal of Chemistry","2021","45","30","13406","13414","10.1039/D1NJ01643A","","","1.54178","CuKα","","0.0339","0.0329","","","0.1021","0.1032","","","","","","1.017","","","","has coordinates","268887","2021-09-06","12:08:56",""
"7060779","8.291","0.003","10.898","0.005","11.966","0.005","100.873","0.014","105.64","0.013","95.465","0.014","1010.2","0.7","193","2","192.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 F3 O6 S -","- C21 H19 F3 O6 S -","- C42 H38 F6 O12 S2 -","2","1","","Wang, Guangming; Li, Xun; Wang, Xuepu; Zhang, Kaka","Efficient cascade reactions for luminescent pyrylium biolabels catalysed by light rare-earth elements","New Journal of Chemistry","2021","45","27","12305","12310","10.1039/D1NJ01793D","","","0.71073","MoKα","","0.1823","0.0905","","","0.2011","0.2641","","","","","","1.1188","","","","has coordinates,has disorder","268856","2021-09-06","12:00:37",""
"7060780","11.1649","0.0014","11.6494","0.0014","13.3995","0.0016","95.442","0.002","100.844","0.002","111.648","0.001","1565","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H47 Cl2 F6 N4 P -","- C28 H47 Cl2 F6 N4 P -","- C56 H94 Cl4 F12 N8 P2 -","2","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0699","0.0472","","","0.1113","0.1221","","","","","","1.021","","","","has coordinates,has disorder","268883","2021-09-06","12:08:17",""
"7060781","8.0339","0.0011","13.7156","0.0019","15.213","0.002","90","","102.71","0.001","90","","1635.2","0.4","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 F6 N3 P -","- C12 H22 F6.012 N3 P -","- C48 H88 F24.048 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0543","0.041","","","0.1102","0.1195","","","","","","1.04","","","","has coordinates,has disorder","268883","2021-09-06","12:08:19",""
"7060782","19.8863","0.0012","10.6006","0.0006","14.2336","0.0008","90","","92.037","0.001","90","","2998.6","0.3","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H18 F6 N3 P -","- C13 H18 F6 N3 P -","- C104 H144 F48 N24 P8 -","8","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0457","0.0361","","","0.0933","0.1008","","","","","","1.033","","","","has coordinates,has disorder","268883","2021-09-06","12:08:19",""
"7060783","9.5341","0.0008","20.2391","0.0017","11.4827","0.001","90","","100.217","0.001","90","","2180.6","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 Cl3 N4 -","- C15.998 H34.996 Cl2.996 N4 -","- C63.992 H139.984 Cl11.984 N16 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0342","0.0288","","","0.0749","0.0789","","","","","","1.028","","","","has coordinates,has disorder","268883","2021-09-06","12:08:19",""
"7060784","11.014","0.003","10.06","0.002","10.165","0.002","90","","117.45","0.003","90","","999.5","0.4","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 N2 O -","- C9 H18 N2 O -","- C36 H72 N8 O4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0946","0.0563","","","0.1249","0.1436","","","","","","1.03","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060785","10.4385","0.0009","11.3473","0.0009","14.6522","0.0012","90","","90","","90","","1735.5","0.2","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 F6 N3 P -","- C13 H24 F6 N3 P -","- C52 H96 F24 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.032","0.0276","","","0.0665","0.0688","","","","","","1.034","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060786","11.7611","0.0009","10.3655","0.0008","14.2459","0.0011","90","","113.537","0.001","90","","1592.2","0.2","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 F6 N3 P -","- C11 H22 F6 N3 P -","- C44 H88 F24 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0427","0.0351","","","0.1009","0.1069","","","","","","1.047","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060787","7.6928","0.0014","17.17","0.003","20.59","0.004","90","","90","","90","","2719.6","0.9","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl4 N4 O2 -","- C22 H36 Cl4 N4 O2 -","- C88 H144 Cl16 N16 O8 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0728","0.0441","","","0.0811","0.0912","","","","","","1.007","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060788","7.691","0.0004","7.7691","0.0004","12.7167","0.0006","97.994","0.001","91.522","0.002","112.289","0.001","693.63","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl2 Co N3 Se -","- C11 H11 Cl2 Co N3 Se -","- C22 H22 Cl4 Co2 N6 Se2 -","2","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.0499","0.0394","","","0.0937","0.098","","","","","","1.174","","","","has coordinates,has disorder","268832","2021-09-06","11:56:47",""
"7060789","13.8873","0.0008","12.4918","0.0007","7.967","0.0004","90","","90","","90","","1382.09","0.13","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C11 H11 Cl2 Cu N3 Se -","- C11 H11 Cl2 Cu N3 Se -","- C44 H44 Cl8 Cu4 N12 Se4 -","4","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.0505","0.0361","","","0.0815","0.0872","","","","","","1.045","","","","has coordinates,has disorder","268832","2021-09-06","11:56:48",""
"7060790","8.3309","0.0006","12.1666","0.0009","14.2649","0.0012","90","","93.019","0.003","90","","1443.87","0.19","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Br2 Co N3 Se -","- C11 H11 Br2 Co N3 Se -","- C44 H44 Br8 Co4 N12 Se4 -","4","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.56086","AgKα","","0.1199","0.0491","","","0.0746","0.0898","","","","","","0.998","","","","has coordinates","268832","2021-09-06","11:56:48",""
"7060791","7.6875","0.0002","7.775","0.0002","12.7025","0.0004","98.029","0.002","91.212","0.002","112.392","0.002","692.81","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Cl2 N3 Se Zn -","- C11 H11 Cl2 N3 Se Zn -","- C22 H22 Cl4 N6 Se2 Zn2 -","2","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","1.54178","CuKα","","0.0588","0.0493","","","0.1082","0.1146","","","","","","1.086","","","","has coordinates,has disorder","268832","2021-09-06","11:56:48",""
"7060792","7.0855","0.0016","16.597","0.005","31.064","0.009","90","","90","","90","","3653.1","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Cl N5 O2 Re Se2 -","- C13 H17 Cl N5 O2 Re Se2 -","- C104 H136 Cl8 N40 O16 Re8 Se16 -","8","1","","Cervo, Rodrigo; Lopes, Thaísa R. R.; de Vasconcelos, Adriana R.; Cargnelutti, Juliana F.; Schumacher, Ricardo F.; Tirloni, Bárbara; dos Santos, Sailer S.; Abram, Ulrich; Lang, Ernesto S.; Cargnelutti, Roberta","Coordination compounds containing 2-pyridylselenium ligands: synthesis, structural characterization, and antibacterial evaluation","New Journal of Chemistry","2021","45","29","12863","12870","10.1039/D1NJ02374H","","","0.71073","MoKα","","0.0241","0.0189","","","0.0375","0.0401","","","","","","1.169","","","","has coordinates","268832","2021-09-06","11:56:48",""
"7060793","18.0532","0.0002","18.0532","0.0002","6.7441","0.0001","90","","90","","90","","2198.02","0.05","107","5","107","5","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C96 H112 O40 -","8","1","","Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing","(±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9","New Journal of Chemistry","2021","45","28","12700","12704","10.1039/D1NJ01993G","","x-ray","1.54184","CuKα","","0.0626","0.0611","","","0.1495","0.1501","","","","","","1.116","","","","has coordinates","268844","2021-09-06","11:59:00",""
"7060794","18.0572","0.0004","18.0572","0.0004","6.7365","0.0002","90","","90","","90","","2196.52","0.09","101","2","101","2","","","","","","","","3","P 42 21 2","P 4n 2n","94","","","","- C96 H112 O40 -","- C96 H112 O40 -","- C96 H112 O40 -","1","0.125","","Zhang, Sha; Kang, Feng-Hua; Tan, Jian-Bing; Chen, De-Kun; Kuang, Min; Wang, Wen-Xuan; Xu, Kang-Ping; Zou, Zhen-xing","(±)-Rhytidhymarins A and B, two pairs of new isocoumarin derivatives from endophytic fungus Rhytidhysteron sp. BZM-9","New Journal of Chemistry","2021","45","28","12700","12704","10.1039/D1NJ01993G","","x-ray","1.54184","CuKα","","0.0653","0.0633","","","0.1455","0.1464","","","","","","1.179","","","","has coordinates","268844","2021-09-06","11:59:01",""
"7060795","28.7105","0.0008","8.3984","0.0003","30.9075","0.0012","90","","105.201","0.0011","90","","7191.7","0.4","173","2","173.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 Dy4 N12 O20 -","- C68 H80 Dy4 N12 O20 -","- C272 H320 Dy16 N48 O80 -","4","0.5","","Yang, Chen; Wei, Yu-Heng; Xu, Shuang; Zhang, Hao-Yu; Yang, Yue-Qi; Zhang, Bo; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of carbonyl oxygen-bridged tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","31","14103","14110","10.1039/D1NJ01833G","","","0.71073","MoKα","","0.0444","0.0295","","","0.0607","0.0671","","","","","","1.078","","","","has coordinates","268898","2021-09-06","12:14:56",""
"7060796","28.8296","0.0008","8.3601","0.0003","30.9973","0.0011","90","","105.315","0.001","90","","7205.6","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 Gd4 N12 O20 -","- C68 H80 Gd4 N12 O20 -","- C272 H320 Gd16 N48 O80 -","4","0.5","","Yang, Chen; Wei, Yu-Heng; Xu, Shuang; Zhang, Hao-Yu; Yang, Yue-Qi; Zhang, Bo; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of carbonyl oxygen-bridged tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","31","14103","14110","10.1039/D1NJ01833G","","","0.71073","MoKα","","0.0709","0.0388","","","0.0856","0.1031","","","","","","1.073","","","","has coordinates","268898","2021-09-06","12:14:56",""
"7060797","28.7205","0.0014","8.3577","0.0004","30.9008","0.0016","90","","105.243","0.0014","90","","7156.4","0.6","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 N12 O20 Tb4 -","- C68 H80 N12 O20 Tb4 -","- C272 H320 N48 O80 Tb16 -","4","0.5","","Yang, Chen; Wei, Yu-Heng; Xu, Shuang; Zhang, Hao-Yu; Yang, Yue-Qi; Zhang, Bo; Fang, Ming","Single molecule magnet behavior and magnetic refrigeration of carbonyl oxygen-bridged tetranuclear lanthanide complexes","New Journal of Chemistry","2021","45","31","14103","14110","10.1039/D1NJ01833G","","","0.71073","MoKα","","0.0965","0.0476","","","0.0961","0.1129","","","","","","1.027","","","","has coordinates","268898","2021-09-06","12:14:56",""
"7060798","7.003","0.003","15.272","0.006","21.223","0.008","90","","90","","90","","2269.8","1.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Jiao, Luzhen; Cao, Guorui; Teng, Dawei","Ag(i)/(S,S)-ip-FOXAP catalyzed diastereo- and enantioselective 1,3-dipolar cycloaddition of azomethine ylides with benzosultam-3-ylidenes","New Journal of Chemistry","2021","45","32","14401","14405","10.1039/D1NJ01284C","","","0.71073","MoKα","","0.0594","0.054","","","0.1177","0.1217","","","","","","1.077","","","","has coordinates","268861","2021-09-06","12:01:46",""
"7060799","8.5712","0.0006","8.7884","0.001","9.8797","0.0006","115.216","0.008","97.265","0.006","108.823","0.008","606.26","0.12","125.3","0.6","125.3","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 Cu2 N8 O8 S2 -","- C16 H24 Cu2 N8 O8 S2 -","- C16 H24 Cu2 N8 O8 S2 -","1","0.5","","Hchicha, Khouloud; Korb, Marcus; Badraoui, Riadh; Naïli, Houcine","A novel sulfate-bridged binuclear copper(ii) complex: structure, optical, ADMET and in vivo approach in a murine model of bone metastasis","New Journal of Chemistry","2021","45","31","13775","13784","10.1039/D1NJ02388H","","","0.71073","MoKα","","0.0398","0.0338","","","0.0775","0.0796","","","","","","1.098","","","","has coordinates","268893","2021-09-06","12:13:02",""
"7060800","8.5067","0.0003","13.2176","0.0005","14.2579","0.0006","77.789","0.003","74.227","0.003","85.006","0.003","1507.12","0.1","100","0.1","100","0.1","","","","","","","Rostov-on-Don, Russia","4","P -1","-P 1","2","5-(4,5-Diphenyloxazol-2-yl)-N,N,1',3',3'-pentamethylspiro[benzo[f]chromene-3,2'-indolin]-5'-amine","5-(4,5-Diphenyloxazol-2-yl)-N,N,1',3',3'-pentamethylspiro[benzo[f]chromene-3,2'-indolin]-5'-amine","","- C40 H35 N3 O2 -","- C40 H35 N3 O2 -","- C80 H70 N6 O4 -","2","1","","Metelitsa, Anatoly V.; Chernyshev, Anatoly V.; Voloshin, Nikolai; Demidov, Oleg P.; Solov'eva, Ekaterina; Rostovtseva, Irina A.; Gaeva, Elena","Photo-controlled bipolar absorption switches based on 5-dimethylamino substituted indoline spiropyrans with semipermanent merocyanines","New Journal of Chemistry","2021","","","","","10.1039/D1NJ02371C","","x-ray","1.54184","CuKα","","0.0622","0.0514","","","0.1472","0.1606","","","","","","1.056","","","","has coordinates,has disorder","267269","2021-07-06","03:40:23",""
"7060801","9.664","0.0005","9.9563","0.0005","11.7006","0.0006","106.265","0.002","99.813","0.002","97.972","0.002","1044.05","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H46 N4 O2 -","- C54 H46 N4 O2 -","- C54 H46 N4 O2 -","1","0.5","","Zhu, Chenfei; Li, Chengjian; Wen, Li; Song, Qingbao; Wang, Kai; Lv, Chunyan; Zhang, Yujiang","Piezochromism of cyanostilbene derivatives: a small structural alteration makes a big photophysical difference","New Journal of Chemistry","2021","45","29","12895","12901","10.1039/D1NJ01945G","","","0.71073","MoKα","","0.0631","0.0448","","","0.1008","0.1184","","","","","","1.029","","","","has coordinates","268838","2021-09-06","11:58:08",""
"7060802","48.6981","0.0016","10.7458","0.0004","18.7001","0.0007","90","","104.85","0.001","90","","9458.9","0.6","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H54 N4 O6 -","- C58 H54 N4 O6 -","- C464 H432 N32 O48 -","8","1","","Zhu, Chenfei; Li, Chengjian; Wen, Li; Song, Qingbao; Wang, Kai; Lv, Chunyan; Zhang, Yujiang","Piezochromism of cyanostilbene derivatives: a small structural alteration makes a big photophysical difference","New Journal of Chemistry","2021","45","29","12895","12901","10.1039/D1NJ01945G","","","0.71073","MoKα","","0.0979","0.0505","","","0.1045","0.132","","","","","","1.007","","","","has coordinates,has disorder","268838","2021-09-06","11:58:08",""
"7060803","8.7282","0.0002","8.6664","0.0001","14.9347","0.0003","90","","96.234","0.001","90","","1123.01","0.04","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 O4 -","- C28 H28 O4 -","- C56 H56 O8 -","2","1","","Kalník, Martin; Zajičková, Mária; Kóňa, Juraj; Šesták, Sergej; Moncoľ, Ján; Koóš, Miroslav; Bella, Maroš","Synthesis of hydroxymethyl analogues of mannostatin A and their evaluation as inhibitors of GH38 α-mannosidases","New Journal of Chemistry","2021","45","30","13539","13548","10.1039/D1NJ02351A","","","1.54186","CuKα","","0.0253","0.025","","","0.0627","0.0629","","","","","","1.086","","","","has coordinates","268884","2021-09-06","12:08:24",""
"7060804","12.054","0.002","10.6413","0.001","13.5706","0.0019","90","","114.096","0.009","90","","1589","0.4","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Bouarfa, Salima; Jéhan, Philippe; Erb, William; Mongin, Olivier; Porée, François-Hugues; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Le Yondre, Nicolas; Mongin, Florence","Aza-aromatic polycycles based on triphenylene and acridine or acridone: synthesis and properties","New Journal of Chemistry","2021","45","32","14414","14424","10.1039/D1NJ02630E","","x-ray","0.71073","MoKα","","0.0719","0.0563","","","0.2049","0.2336","","","","","","0.976","","","","has coordinates","268864","2021-09-06","12:02:03",""
"7060805","9.6301","0.0009","10.593","0.0009","10.6467","0.0011","100.52","0.004","91.593","0.004","95.892","0.003","1060.99","0.17","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C31 H19 N O -","- C31 H19 N O -","- C62 H38 N2 O2 -","2","1","","Bouarfa, Salima; Jéhan, Philippe; Erb, William; Mongin, Olivier; Porée, François-Hugues; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Le Yondre, Nicolas; Mongin, Florence","Aza-aromatic polycycles based on triphenylene and acridine or acridone: synthesis and properties","New Journal of Chemistry","2021","45","32","14414","14424","10.1039/D1NJ02630E","","x-ray","0.71073","MoKα","","0.0616","0.0485","","","0.127","0.1395","","","","","","1.035","","","","has coordinates","268864","2021-09-06","12:02:04",""
"7060806","14.3019","0.001","14.942","0.0011","21.4307","0.0015","74.057","0.001","86.379","0.001","65.419","0.001","3997.6","0.5","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H80 Ag6 B2 N20 O80 W24 -","- C120 H80 Ag6 B2 N20 O80 W24 -","- C120 H80 Ag6 B2 N20 O80 W24 -","1","0.5","","Liang, Qiu-Lan; Du, Na-Na; Gong, Li-Ge; Wang, Chun-Xiao; Wang, Chun-Mei; Yu, Kai; Zhou, Bai-Bin","A {BW12O40} hybrid decorated by Ag+ for use as a supercapacitor electrode material and photocatalyst","New Journal of Chemistry","2021","45","32","14444","14450","10.1039/D1NJ02845F","","","0.71073","MoKα","","0.0511","0.0415","","","0.1188","0.1248","","","","","","1.022","","","","has coordinates","268867","2021-09-06","12:02:52",""
"7060807","12.775","0.003","15.234","0.003","16.485","0.003","70.82","0.03","79.66","0.03","74.7","0.03","2907.5","1.2","153.15","","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H52 Cl3 F6 Ir N5 P -","- C65 H52 Cl3 F6 Ir N5 P -","- C130 H104 Cl6 F12 Ir2 N10 P2 -","2","1","","Song, Yongjun; Ren, Hao; Meng, Xianwen; He, Lei","Cationic iridium complexes with an alkyl-linked bulky group at the cyclometalating ligand: synthesis, characterization, and suppression of phosphorescence concentration-quenching","New Journal of Chemistry","2021","45","34","15312","15320","10.1039/D1NJ02375F","","","0.71073","MoKα","","0.0752","0.0677","","","0.1667","0.185","","","","","","1.144","","","","has coordinates","268904","2021-09-06","12:15:48",""
"7060808","21.691","0.003","14.305","0.003","10.6099","0.0014","90","","90","","90","","3292.1","0.9","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1E,4E-1-(4-fluorophenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one","","- C20 H23 F O -","- C20 H23 F O -","- C160 H184 F8 O8 -","8","2","","Custodio, Jean M. F.; Vaz, Wesley F.; Bernardes, Aline; Moura, Andrea F.; Oliver, Allen G.; Molnár, Szilárd; Perjési, Pál; Noda-Perez, Caridad","Alternative mechanisms of action for the apoptotic activity of terpenoid-like chalcone derivatives","New Journal of Chemistry","2021","45","34","15267","15279","10.1039/D1NJ02086B","","","0.71073","MoKα","","0.0815","0.0458","","","0.0894","0.101","","","","","","1.026","","","","has coordinates,has disorder","268900","2021-09-06","12:15:13",""
"7060809","10.7823","0.0016","13.188","0.002","13.277","0.002","90","","94.255","0.003","90","","1882.7","0.5","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cu Mo8 N10 O26 -","- C16 H22 Cu Mo8 N10 O26 -","- C32 H44 Cu2 Mo16 N20 O52 -","2","0.5","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.0856","0.0414","","","0.0867","0.1045","","","","","","0.987","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060810","11.1802","0.0005","13.4116","0.0006","15.9634","0.0007","90","","90.678","0.001","90","","2393.45","0.18","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cu2 Mo4 N4 O22 -","- C10 H16 Cu2 Mo4 N4 O22 -","- C40 H64 Cu8 Mo16 N16 O88 -","4","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.0368","0.029","","","0.0717","0.0755","","","","","","1.044","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060811","11.5733","0.0007","13.5849","0.0008","12.902","0.0008","90","","96.796","0.001","90","","2014.2","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 Mo8 N10 O30 Zn -","- C16 H30 Mo8 N10 O30 Zn -","- C32 H60 Mo16 N20 O60 Zn2 -","2","0.5","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.0582","0.0376","","","0.0872","0.0968","","","","","","1.019","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060812","17.1238","0.0007","10.8013","0.0004","7.3539","0.0003","90","","94.571","0.001","90","","1355.85","0.09","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cu Mo2 N2 O7 -","- C10 H8 Cu Mo2 N2 O7 -","- C40 H32 Cu4 Mo8 N8 O28 -","4","1","","Zhang, Baoyue; Ying, Jun; Zhang, Xinyue; Wang, Chen; Tian, Aixiang","Electrocatalytic, photocatalytic, fluorescence sensing and CO2RR properties of a series of homopolymolybdate hybrid coordination polymers","New Journal of Chemistry","2021","45","30","13340","13348","10.1039/D1NJ02283K","","","0.71073","MoKα","","0.023","0.0202","","","0.0502","0.0512","","","","","","1.105","","","","has coordinates","268891","2021-09-06","12:12:14",""
"7060813","11.2353","0.0007","7.3127","0.0005","15.8256","0.001","90","","90.408","0.002","90","","1300.2","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DC-004","","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C48 H48 Br8 N8 O8 -","8","2","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","1.54178","CuKα","","0.0323","0.032","","","0.0826","0.0828","","","","","","1.202","","","","has coordinates","268892","2021-09-06","12:12:24",""
"7060814","29.6209","0.001","12.7399","0.0004","16.3799","0.0006","90","","116.825","0.001","90","","5516.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","DC-006","","","- C26 H34 N2 O10 S -","- C26 H34 N2 O10 S -","- C208 H272 N16 O80 S8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.0535","0.0383","","","0.0936","0.1026","","","","","","1.044","","","","has coordinates","268892","2021-09-06","12:12:28",""
"7060815","8.3674","0.0003","8.5936","0.0003","10.4526","0.0003","88.161","0.002","88.241","0.001","63.805","0.002","673.95","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DC-006","","","- C13 H12 Br N O3 S -","- C13 H12 Br N O3 S -","- C26 H24 Br2 N2 O6 S2 -","2","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.0441","0.0338","","","0.0882","0.0931","","","","","","1.037","","","","has coordinates","268892","2021-09-06","12:12:40",""
"7060816","8.8097","0.0005","12.6229","0.0008","14.4382","0.0009","90","","90","","90","","1605.59","0.17","108","2","108","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VP-003","","","- C7 H8 I N O -","- C7 H8 I N O -","- C56 H64 I8 N8 O8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","0.71073","MoKα","","0.031","0.0198","","","0.0388","0.0415","","","","","","1.057","","","","has coordinates","268892","2021-09-06","12:12:40",""
"7060817","36.3995","0.0013","6.3576","0.0002","25.06","0.0009","90","","123.64","0.001","90","","4828.1","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","DC-005","","","- C22 H30 Br N2 O7.5 S -","- C22 H30 Br N2 O7.5 S -","- C176 H240 Br8 N16 O60 S8 -","8","1","","Chung, Duy T. M.; Tran, Phuong Vy; Chau Nguyen, Khiem; Wang, Pengzhi; Lindsey, Jonathan S.","Synthesis of model bacteriochlorophylls containing substituents of native rings A, C and E","New Journal of Chemistry","2021","45","30","13302","13316","10.1039/D1NJ02469H","","","1.54178","CuKα","","0.0234","0.0232","","","0.0609","0.061","","","","","","1.065","","","","has coordinates","268892","2021-09-06","12:12:49",""
"7060818","7.725","0.0005","8.423","0.0005","12.846","0.0007","89.463","0.002","85.447","0.002","79.772","0.002","819.97","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","trans-bis(N,N-diethyl-N?-(3,4,5-trimethoxybenzoyl)thioureato-S,O)-palladium(II)","","- C30 H42 N4 O8 Pd S2 -","- C30 H42 N4 O8 Pd S2 -","- C30 H42 N4 O8 Pd S2 -","1","0.5","","Nkabyo, H. A.; Oyenihi, O. R.; Olaoye, O.; Sikiti, P.; Bosman, G. W.; Luckay, R. C.","Photoactive PtII and PdII complexes of N,N-diethyl-N′-3,4,5-trimethoxybenzoylthiourea: synthesis, crystal structures, DFT and cytotoxicity studies","New Journal of Chemistry","2021","45","32","14703","14712","10.1039/D1NJ02320A","","","0.71073","MoKα","","0.0325","0.0277","","","0.0613","0.0632","","","","","","1.05","","","","has coordinates","268862","2021-09-06","12:01:52",""
"7060819","7.7345","0.0004","8.4242","0.0004","12.8464","0.0006","89.769","0.001","85.716","0.002","79.422","0.002","820.47","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 N4 O8 Pt S2 -","- C30 H42 N4 O8 Pt S2 -","- C30 H42 N4 O8 Pt S2 -","1","0.5","","Nkabyo, H. A.; Oyenihi, O. R.; Olaoye, O.; Sikiti, P.; Bosman, G. W.; Luckay, R. C.","Photoactive PtII and PdII complexes of N,N-diethyl-N′-3,4,5-trimethoxybenzoylthiourea: synthesis, crystal structures, DFT and cytotoxicity studies","New Journal of Chemistry","2021","45","32","14703","14712","10.1039/D1NJ02320A","","","0.71073","MoKα","","0.0183","0.0183","","","0.0482","0.0482","","","","","","1.076","","","","has coordinates","268862","2021-09-06","12:01:52",""
"7060820","11.5739","0.0006","9.6588","0.0008","12.8455","0.0009","90","","101.244","0.004","90","","1408.44","0.17","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.08","0.0387","","","0.0924","0.1159","","","","","","1.081","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060821","10.777","0.002","15.859","0.005","17.45","0.005","90","","106.734","0.012","90","","2856.1","1.3","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.07","0.0455","","","0.1204","0.1354","","","","","","1.063","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060822","9.2535","0.0013","11.3483","0.0008","12.2374","0.0015","101.283","0.007","90.79","0.008","90.653","0.009","1260","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0699","0.0399","","","0.0994","0.1127","","","","","","1.06","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060823","11.3439","0.0006","9.3494","0.0009","12.3371","0.0009","90","","100.984","0.004","90","","1284.49","0.17","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0615","0.0362","","","0.08","0.0884","","","","","","1.079","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060824","8.985","0.004","11.328","0.003","12.013","0.005","101.89","0.02","92.74","0.03","91.31","0.03","1194.4","0.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.098","0.0514","","","0.1196","0.1373","","","","","","1.075","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060825","10.76","0.002","15.808","0.006","17.253","0.004","90","","106.721","0.012","90","","2810.5","1.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0604","0.0396","","","0.0925","0.1028","","","","","","1.059","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060826","10.7361","0.0007","15.4827","0.0017","16.6888","0.0011","90","","107.567","0.004","90","","2644.7","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0649","0.0467","","","0.1124","0.1234","","","","","","1.1","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060827","10.6923","0.0008","15.3683","0.0018","16.4865","0.0012","90","","107.682","0.004","90","","2581.1","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0705","0.0498","","","0.122","0.1343","","","","","","1.084","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060828","11.47261","0.00008","9.58685","0.00008","12.72647","0.0001","90","","100.522","0.0007","90","","1376.2","0.019","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0228","0.0221","","","0.0549","0.0554","","","","","","1.07","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060829","11.573","0.0006","9.6589","0.0005","12.8541","0.0007","90","","101.274","0.001","90","","1409.14","0.13","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0352","0.0283","","","0.0717","0.0754","","","","","","1.03","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060830","9.1367","0.0016","11.366","0.0011","12.111","0.0019","101.644","0.009","91.715","0.01","90.844","0.011","1231","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0756","0.0364","","","0.0817","0.0947","","","","","","1.006","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060831","10.6433","0.0007","15.3285","0.0016","16.4392","0.0011","90","","107.475","0.004","90","","2558.2","0.4","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(3,5-bis(pyridin-2-yl)-4H-1,2,4-triazol-4-amine)-bis(isothiocyanato)-Iron (II)","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0642","0.0466","","","0.1111","0.1213","","","","","","1.112","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060832","10.7881","0.0003","15.9005","0.0005","17.3637","0.0005","90","","106.801","0.001","90","","2851.36","0.15","225","2","225","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0453","0.0328","","","0.0756","0.0812","","","","","","1.013","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060833","11.3795","0.0005","9.4118","0.0007","12.4288","0.0007","90","","100.972","0.003","90","","1306.81","0.14","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C52 H40 Fe2 N28 S4 -","2","0.5","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.0632","0.0369","","","0.0946","0.1107","","","","","","1.054","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060834","10.7819","0.0015","15.87","0.004","17.415","0.003","90","","106.875","0.01","90","","2851.5","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.1318","0.0821","","","0.1916","0.2231","","","","","","1.047","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060835","10.4607","0.0017","15.203","0.004","16.348","0.003","90","","105.886","0.011","90","","2500.6","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.56086","AgKα","","0.1088","0.0735","","","0.1762","0.1986","","","","","","1.085","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060836","10.7828","0.0003","15.8845","0.0005","17.3213","0.0005","90","","106.828","0.001","90","","2839.74","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.046","0.0334","","","0.076","0.0819","","","","","","1.028","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060837","10.8097","0.0003","15.9326","0.0004","17.4617","0.0005","90","","106.847","0.001","90","","2878.3","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0505","0.034","","","0.0792","0.0864","","","","","","1.018","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060838","10.7833","0.0003","15.8575","0.0005","17.2623","0.0005","90","","106.969","0.001","90","","2823.27","0.14","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0434","0.0315","","","0.0732","0.0787","","","","","","1.02","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060839","10.809","0.0003","15.7339","0.0005","17.0294","0.0005","90","","107.666","0.001","90","","2759.57","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0326","0.0266","","","0.0636","0.0664","","","","","","1.024","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060840","10.7016","0.0004","15.9017","0.0006","17.1557","0.0006","90","","106.04","0.001","90","","2805.79","0.18","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0379","0.0293","","","0.0682","0.0719","","","","","","1.029","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060841","10.7982","0.0004","15.8008","0.0005","17.157","0.0006","90","","107.383","0.001","90","","2793.64","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0363","0.0285","","","0.0683","0.072","","","","","","1.024","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060842","10.8072","0.0004","15.7062","0.0006","16.9907","0.0007","90","","107.631","0.001","90","","2748.53","0.19","50","2","50","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0393","0.0302","","","0.0695","0.073","","","","","","1.042","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060843","10.8076","0.0003","15.7173","0.0005","17.0045","0.0005","90","","107.657","0.001","90","","2752.41","0.14","75","2","75","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0377","0.0296","","","0.0693","0.0729","","","","","","1.027","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060844","10.8082","0.0004","15.6979","0.0005","16.985","0.0006","90","","107.618","0.001","90","","2746.61","0.17","30","2","30","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0336","0.0279","","","0.0646","0.0673","","","","","","1.039","","","","has coordinates","268895","2021-09-06","12:14:09",""
"7060845","10.7949","0.0003","15.9119","0.0005","17.3979","0.0005","90","","106.804","0.001","90","","2860.79","0.15","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.0483","0.0331","","","0.0754","0.0821","","","","","","1.021","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060846","10.8057","0.0003","15.7552","0.0005","17.0726","0.0005","90","","107.638","0.001","90","","2769.9","0.14","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Fe N14 S2 -","- C26 H20 Fe N14 S2 -","- C104 H80 Fe4 N56 S8 -","4","1","","Mason, Helen E.; Musselle-Sexton, Jake R. C.; Howard, Judith A. K.; Probert, Michael R.; Sparkes, Hazel A.","Structural studies into the spin crossover behaviour of Fe(abpt)2(NCS)2 polymorphs B and D","New Journal of Chemistry","2021","45","31","14014","14023","10.1039/D1NJ02607K","","x-ray","0.71073","MoKα","","0.041","0.0312","","","0.0701","0.0738","","","","","","1.022","","","","has coordinates,has disorder","268895","2021-09-06","12:14:09",""
"7060847","27.896","0.006","7.6894","0.0015","22.958","0.005","90","","90.39","","90","","4924.5","1.8","290","","290","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N4 O6 S -","- C22 H23 N4 O6 S -","- C176 H184 N32 O48 S8 -","8","1","","Seyrani, Hassan; Ramezanpour, Sorour; Vaezghaemi, Aref; Kobarfard, Farzad","A sequential Ugi‒Smiles/transition-metal-free endo-dig Conia‒ene cyclization: the selective synthesis of saccharin substituted 2,5-dihydropyrroles","New Journal of Chemistry","2021","45","34","15647","15654","10.1039/D1NJ01159F","","x-ray","0.71073","MoKα","","0.0702","0.063","","","0.1716","0.1776","","","","","","1.126","","","","has coordinates","268905","2021-09-06","12:16:02",""
"7060848","9.979","0.002","12.736","0.003","16.016","0.004","111.967","0.008","102.448","0.007","93.928","0.007","1818.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H56 Cl8 N6 O4 -","- C78 H56 Cl8 N6 O4 -","- C78 H56 Cl8 N6 O4 -","1","0.5","","Rajendran, Narendran; Husain, Ali; Makhseed, Saad","Probing the performance of imide linked micro-porous polymers for enhanced CO2 gas adsorption applications","New Journal of Chemistry","2021","45","34","15487","15496","10.1039/D1NJ01885J","","","0.71075","MoKα","","0.2168","0.0804","","","0.1857","0.2201","","","","","","0.849","","","","has coordinates","268903","2021-09-06","12:15:37",""
"7060849","11.874","0.003","13.417","0.003","14.271","0.003","62.751","0.006","75.23","0.007","82.876","0.006","1954.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H39 F N2 O3 -","- C50 H39 F N2 O3 -","- C100 H78 F2 N4 O6 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.162","0.0568","","","0.1273","0.1796","","","","","","1.008","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060850","17.8914","0.0019","5.5286","0.0006","20.497","0.002","90","","92.686","0.003","90","","2025.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C100 H80 N8 O12 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.1938","0.0672","","","0.1172","0.1544","","","","","","1.018","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060851","12.362","0.004","14.904","0.004","18.652","0.005","90","","108.489","0.009","90","","3259.1","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N3 O4 -","- C39 H33 N3 O4 -","- C156 H132 N12 O16 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.1228","0.0558","","","0.1121","0.1384","","","","","","1.011","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060852","12.3059","0.0011","12.9944","0.001","13.5855","0.0011","99.021","0.002","99.217","0.003","110.717","0.003","1951.4","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 Cl N2 O4 -","- C49 H37 Cl N2 O4 -","- C98 H74 Cl2 N4 O8 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Yang, Ren-Yin; Zhao, Ru-Fang; Wang, Yang; Sun, Jing; Yan, Chao-Guo","DDQ dehydrogenative Diels‒Alder reaction for the synthesis of functionalized spiro[carbazole-1,3′-indolines] and spiro[carbazole-1,5′-pyrimidines]","New Journal of Chemistry","2021","45","34","15423","15428","10.1039/D1NJ02836G","","","0.71073","MoKα","","0.1978","0.0749","","","0.1648","0.2031","","","","","","1.034","","","","has coordinates","268901","2021-09-06","12:15:22",""
"7060853","14.9965","0.0003","13.1054","0.0002","17.7644","0.0003","90","","109.788","0.0007","90","","3285.17","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23.81 B0.81 Br3 N4 O1.63 Zn -","- C31 H23.817 B0.817 Br3 N4 O1.634 Zn -","- C124 H95.268 B3.268 Br12 N16 O6.536 Zn4 -","4","1","","Ortega-Valdovinos, Luis Ramón; Valdes-García, Josue; Bazany-Rodríguez, Iván J.; Lugo-González, José Carlos; Dorazco-González, Alejandro; Yatsimirsky, Anatoly K.","Anion recognition by anthracene appended ortho-aminomethylphenylboronic acid: a new PET-based sensing mechanism","New Journal of Chemistry","2021","45","34","15618","15628","10.1039/D1NJ02684D","","","1.54178","CuKα","","0.077","0.0747","","","0.227","0.2299","","","","","","1.067","","","","has coordinates,has disorder","268902","2021-09-06","12:15:31",""
"7060854","11.8967","0.0003","13.6816","0.0003","22.4595","0.0005","90","","98.2926","0.001","90","","3617.42","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Br5 N4 O S Zn2 -","- C33 H29 Br5 N4 O S Zn2 -","- C132 H116 Br20 N16 O4 S4 Zn8 -","4","1","","Ortega-Valdovinos, Luis Ramón; Valdes-García, Josue; Bazany-Rodríguez, Iván J.; Lugo-González, José Carlos; Dorazco-González, Alejandro; Yatsimirsky, Anatoly K.","Anion recognition by anthracene appended ortho-aminomethylphenylboronic acid: a new PET-based sensing mechanism","New Journal of Chemistry","2021","45","34","15618","15628","10.1039/D1NJ02684D","","","1.54178","CuKα","","0.0458","0.0446","","","0.1166","0.1175","","","","","","1.048","","","","has coordinates,has disorder","268902","2021-09-06","12:15:32",""
"7060855","10.26472","0.00019","9.99397","0.00019","10.8624","0.0002","90","","92.0775","0.0017","90","","1113.59","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H27 N O11 -","- C19 H27 N O11 -","- C38 H54 N2 O22 -","2","1","","Sosa-Gil, Concepción; Babiano, Reyes; Cintas, Pedro; Light, Mark E.; Palacios, Juan C.","On the anomeric preference of the isothiocyanato group","New Journal of Chemistry","2021","45","31","14111","14125","10.1039/D1NJ00852H","","x-ray","0.71073","MoKα","K-L~3~","0.0316","0.03","","","0.0758","0.0769","","","","","","1.026","","","","has coordinates,has disorder","268897","2021-09-06","12:14:44",""
"7060856","7.6274","0.0004","9.1304","0.0005","10.6185","0.0007","92.663","0.007","99.327","0.007","90.796","0.006","728.75","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C12 H15 N O7 S -","- C12 H15 N O7 S -","- C24 H30 N2 O14 S2 -","2","2","","Sosa-Gil, Concepción; Babiano, Reyes; Cintas, Pedro; Light, Mark E.; Palacios, Juan C.","On the anomeric preference of the isothiocyanato group","New Journal of Chemistry","2021","45","31","14111","14125","10.1039/D1NJ00852H","","x-ray","0.71075","MoKα","K-L~3~","0.0368","0.0349","","","0.0886","0.0905","","","","","","1.046","","","","has coordinates","268897","2021-09-06","12:14:44",""
"7060857","10.321","0.007","16.443","0.011","23.688","0.016","90","","90.46","0.008","90","","4020","5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(9-ethyl-9H-carbazol-3-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C208 H144 N16 O16 -","8","2","","Saha, Shrabani; Das, Sujoy; Sarkar, Olivia; Chattopadhyay, Ansuman; Rissanen, Kari; Sahoo, Prithidipa","Introduction of a luminescent sensor for tracking trace levels of hydrazine in insect pollinated cropland flowers","New Journal of Chemistry","2021","45","37","17095","17100","10.1039/D1NJ02661E","","","0.71073","MoKα","","0.1337","0.0552","","","0.0979","0.1269","","","","","","1.044","","","","has coordinates","269744","2021-10-06","16:00:49",""
"7060858","21.27","0.002","12.2947","0.0012","14.7085","0.0012","90","","97.489","0.003","90","","3813.6","0.6","297.2","","297.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 N4 O10 Zn -","- C42 H32 N4 O10 Zn -","- C168 H128 N16 O40 Zn4 -","4","0.5","","Zhang, Heyi; He, Fangyuan; Li, Xiaonan; Wang, Zhihui; Zhang, Hong","A smart sensing Zn(ii) coordination polymer based on a new viologen ligand exhibiting photochromic and thermochromic and multiple solid detection properties","New Journal of Chemistry","2021","45","35","15851","15856","10.1039/D1NJ03141D","","","0.71073","MoKα","","0.0541","0.0376","","","0.0863","0.0938","","","","","","1.053","","","","has coordinates","269758","2021-10-06","16:04:07",""
"7060859","18.6136","0.0006","7.44583","0.00019","19.8695","0.0007","90","","113.068","0.004","90","","2533.6","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ni(ThioSalEn)]","","- C12 H10 N2 Ni O2 S2 -","- C12 H10 N2 Ni O2 S2 -","- C96 H80 N16 Ni8 O16 S16 -","8","2","","Lukyanov, Daniil A.; Vereshchagin, Anatoliy A.; Sizov, Vladimir V.; Kalnin, Arseniy Y.; Novoselova, Julia V.; Alekseeva, Elena V.; Levin, Oleg V.","Non-sterical stabilization of one-electron-oxidized NiSalen complex by thiophene core","New Journal of Chemistry","2021","45","32","14425","14431","10.1039/D1NJ02443D","","","0.71073","MoKα","","0.0394","0.0333","","","0.0815","0.0854","","","","","","1.109","","","","has coordinates","268863","2021-09-06","12:01:57",""
"7060860","20.0038","0.0009","10.8076","0.0004","12.432","0.0005","90","","109.818","0.001","90","","2528.53","0.18","","","295.4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.24 H1.6 N0.48 O0.48 -","- C2.24 H1.6 N0.48 O0.48 -","- C112 H80 N24 O24 -","50","6.25","","Yadav, Priyanka; Awasthi, Satish K.","Probing the catalytic activity of highly efficient sulfonic acid fabricated cobalt ferrite magnetic nanoparticles for the clean and scalable synthesis of dihydro, spiro and bis quinazolinones","New Journal of Chemistry","2021","45","35","15928","15941","10.1039/D1NJ01149A","","","0.71073","MoKα","","0.1247","0.0811","","","0.2319","0.2802","","","","","","1.3032","","","","has coordinates","269750","2021-10-06","16:02:34",""
"7060861","10.223","0.008","11.333","0.012","21.64","0.02","90","","90","","90","","2507","4","","","119.98","","","","","","","","","4","P 1","P 1","1","","","","- C2.24 H2.92 N0.32 O0.16 -","- C2.24 H2.92 N0.32 O0.16 -","- C112 H146 N16 O8 -","50","50","","Yadav, Priyanka; Awasthi, Satish K.","Probing the catalytic activity of highly efficient sulfonic acid fabricated cobalt ferrite magnetic nanoparticles for the clean and scalable synthesis of dihydro, spiro and bis quinazolinones","New Journal of Chemistry","2021","45","35","15928","15941","10.1039/D1NJ01149A","","","0.71073","MoKα","","0.2422","0.1484","","","0.3604","0.4592","","","","","","1.3427","","","","has coordinates","269750","2021-10-06","16:02:35",""
"7060862","11.4897","0.0002","7.4915","0.0001","20.1739","0.0004","90","","104.029","0.002","90","","1684.68","0.05","179.99","0.1","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F N O3 S -","- C19 H16 F N O3 S -","- C76 H64 F4 N4 O12 S4 -","4","1","","Sun, Jianguo; Wang, Taimin; Zhu, Xuecheng; Xu, Wei; Cheng, Bin; Zhai, Hongbin","Synthesis of thiazolidin-4-ones from α-enolic dithioesters and α-halohydroxamates","New Journal of Chemistry","2021","45","32","14508","14512","10.1039/D1NJ01970H","","","1.54184","CuKα","","0.0573","0.0556","","","0.1443","0.1454","","","","","","1.091","","","","has coordinates","268865","2021-09-06","12:02:18",""
"7060863","22.5345","0.0018","7.6383","0.0006","14.4857","0.0012","90","","108.381","0.002","90","","2366.1","0.3","294","2","294","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","1","","Guria, Uday Narayan; Manna, Saikat Kumar; Maiti, Kalipada; Samanta, Sandip Kumar; Ghosh, Aritri; Datta, Pallab; Mandal, Debasish; Mahapatra, Ajit Kumar","A xanthene-based novel colorimetric and fluorometric chemosensor for the detection of hydrazine and its application in the bio-imaging of live cells","New Journal of Chemistry","2021","45","35","15869","15875","10.1039/D1NJ02943F","","","0.71073","MoKα","","0.0753","0.0616","","","0.1624","0.1813","","","","","","1.029","","","","has coordinates","269759","2021-10-06","16:04:12",""
"7060864","15.3812","0.0004","7.969","0.0005","28.6691","0.0009","90","","90","","90","","3514.1","0.3","150","2","150","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C36 H40 N Ni S4 -","- C36 H40 N Ni S4 -","- C144 H160 N4 Ni4 S16 -","4","0.5","","Singh, Ayushi; Singh, Amita; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Singh, Ashish Kumar; Kumar, Abhinav; Muddassir, Mohd.","Ni(ii) dithiolate anion composites with two-dimensional materials for electrochemical oxygen evolution reactions (OERs)","New Journal of Chemistry","2021","45","35","16264","16270","10.1039/D1NJ02644E","","","0.71073","MoKα","","0.1266","0.0895","","","0.2391","0.2688","","","","","","1.042","","","","has coordinates,has disorder","269760","2021-10-06","16:04:18",""
"7060865","11.1457","0.0002","19.5658","0.0003","12.5717","0.0002","90","","90","","90","","2741.57","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C112 H168 N8 O32 -","8","2","","Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam","Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework","New Journal of Chemistry","2021","45","35","15956","15967","10.1039/D1NJ02180J","","","1.54186","CuKα","","0.0359","0.0336","","","0.0843","0.0861","","","","","","1.027","","","","has coordinates","269753","2021-10-06","16:03:10",""
"7060866","6.5826","0.0002","9.0483","0.0001","16.3477","0.0004","90","","98.638","0.002","90","","962.65","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O6 -","- C20 H29 N O6 -","- C40 H58 N2 O12 -","2","1","","Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam","Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework","New Journal of Chemistry","2021","45","35","15956","15967","10.1039/D1NJ02180J","","","1.54186","CuKα","","0.0903","0.0893","","","0.2453","0.2477","","","","","","1.165","","","","has coordinates","269753","2021-10-06","16:03:10",""
"7060867","3.8262","0.0006","15.078","0.002","21.19","0.003","90","","92.423","0.002","90","","1221.4","0.3","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Xochicale-Santana, Leonardo; López-Espejel, Margarita; Jiménez-Pérez, Víctor M.; Lara-Cerón, Jesús; Gómez-Treviño, Alberto; Waksman, Noemí; Dias, H. V. Rasika; Muñoz-Flores, Blanca M.","Green synthesis of fluorescent Schiff bases: chemo-photophysical characterization, X-ray structures, and their bioimaging","New Journal of Chemistry","2021","45","37","17183","17189","10.1039/D1NJ02875H","","","0.71073","MoKα","","0.0478","0.0438","","","0.1197","0.125","","","","","","1.05","","","","has coordinates","269738","2021-10-06","15:59:58",""
"7060868","8.0487","0.0007","14.0919","0.0012","15.0169","0.0013","111.429","0.002","101.274","0.003","94.147","0.003","1535.5","0.2","99.99","","99.99","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","2","","Xochicale-Santana, Leonardo; López-Espejel, Margarita; Jiménez-Pérez, Víctor M.; Lara-Cerón, Jesús; Gómez-Treviño, Alberto; Waksman, Noemí; Dias, H. V. Rasika; Muñoz-Flores, Blanca M.","Green synthesis of fluorescent Schiff bases: chemo-photophysical characterization, X-ray structures, and their bioimaging","New Journal of Chemistry","2021","45","37","17183","17189","10.1039/D1NJ02875H","","","0.71073","MoKα","","0.0596","0.0526","","","0.1365","0.1434","","","","","","1.042","","","","has coordinates,has disorder","269738","2021-10-06","15:59:59",""
"7060869","8.003","0.0002","11.3382","0.0003","12.9419","0.0003","90","","106.882","0.002","90","","1123.73","0.05","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br N S2 -","- C10 H8 Br N S2 -","- C40 H32 Br4 N4 S8 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0443","0.0402","","","0.1105","0.1155","","","","","","1.029","","","","has coordinates","269752","2021-10-06","16:03:01",""
"7060870","7.4983","0.0001","7.8011","0.0002","21.5964","0.0003","90","","90","","90","","1263.28","0.04","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N S Se -","- C12 H10 Br N S Se -","- C48 H40 Br4 N4 S4 Se4 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0611","0.0621","","","","","","1.072","","","","has coordinates","269752","2021-10-06","16:03:03",""
"7060871","7.39679","0.00007","7.70635","0.00007","21.7345","0.0002","90","","90","","90","","1238.92","0.02","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N S2 -","- C12 H10 Br N S2 -","- C48 H40 Br4 N4 S8 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.021","0.0208","","","0.0546","0.0548","","","","","","1.095","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7060872","11.528","0.0001","7.7855","0.0001","15.4344","0.0002","90","","92.997","0.001","90","","1383.36","0.03","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H12 Br N S2 -","- C13 H12 Br N S2 -","- C52 H48 Br4 N4 S8 -","4","2","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0339","0.0332","","","0.093","0.0941","","","","","","1.037","","","","has coordinates,has disorder","269752","2021-10-06","16:03:03",""
"7060873","21.825","0.0009","7.6024","0.0004","19.0583","0.0011","90","","109.789","0.005","90","","2975.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N O7 Tb -","- C36 H24 N O7 Tb -","- C144 H96 N4 O28 Tb4 -","4","1","","An, Shuyi; Guo, Zhifen; Liu, Xin; Che, Yan; Xing, Hongzhu; Chen, Peng","Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols","New Journal of Chemistry","2021","45","35","15767","15775","10.1039/D1NJ02416G","","","0.71073","MoKα","","0.0816","0.0499","","","0.0764","0.0874","","","","","","1.049","","","","has coordinates,has disorder","269757","2021-10-06","16:04:01",""
"7060874","21.6856","0.0005","7.62484","0.00019","19.0898","0.0005","90","","109.625","0.003","90","","2973.13","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Ho N O7 -","- C36 H24 Ho N O7 -","- C144 H96 Ho4 N4 O28 -","4","1","","An, Shuyi; Guo, Zhifen; Liu, Xin; Che, Yan; Xing, Hongzhu; Chen, Peng","Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols","New Journal of Chemistry","2021","45","35","15767","15775","10.1039/D1NJ02416G","","","0.71073","MoKα","","0.0625","0.0425","","","0.0758","0.0835","","","","","","1.075","","","","has coordinates,has disorder","269757","2021-10-06","16:04:02",""
"7060875","21.5768","0.0005","7.64833","0.00019","19.1013","0.0005","90","","109.566","0.003","90","","2970.2","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N O7 Yb -","- C36 H24 N O7 Yb -","- C144 H96 N4 O28 Yb4 -","4","1","","An, Shuyi; Guo, Zhifen; Liu, Xin; Che, Yan; Xing, Hongzhu; Chen, Peng","Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols","New Journal of Chemistry","2021","45","35","15767","15775","10.1039/D1NJ02416G","","","0.71073","MoKα","","0.0525","0.0341","","","0.0539","0.0595","","","","","","1.058","","","","has coordinates,has disorder","269757","2021-10-06","16:04:02",""
"7060876","9.3963","0.0003","15.9698","0.0005","29.1157","0.0008","89.054","0.002","85.936","0.002","74.224","0.002","4193.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Nd(L)3(EtOH)2]","","","- C46 H36 F9 Nd O8 -","- C46 H36 F9 Nd O8 -","- C184 H144 F36 Nd4 O32 -","4","2","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0701","0.0532","","","0.1229","0.1331","","","","","","1.037","","","","has coordinates","268866","2021-09-06","12:02:36",""
"7060877","20.2134","0.0006","11.8811","0.0004","19.6033","0.0006","90","","90","","90","","4707.9","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[NdL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 Nd O6 -","- C54 H36 F9 N2 Nd O6 -","- C216 H144 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0386","0.0302","","","0.0613","0.0648","","","","","","0.938","","","","has coordinates,has disorder","268866","2021-09-06","12:02:41",""
"7060878","11.1855","0.0005","23.2671","0.0008","17.8776","0.0006","90","","97.036","0.002","90","","4617.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Nd(L)3(bipy)]","","","- C52 H32 F9 N2 Nd O6 -","- C52 H32 F9 N2 Nd O6 -","- C208 H128 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0546","0.0356","","","0.063","0.0687","","","","","","1.03","","","","has coordinates","268866","2021-09-06","12:02:43",""
"7060879","13.2116","0.0003","14.6432","0.0004","24.8311","0.0006","90","","98.898","0.001","90","","4746","0.2","99.99","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Nd(L)3(4,4'-dimethoxy-bipy)]","","","- C54 H36 F9 N2 Nd O8 -","- C54 H36 F9 N2 Nd O8 -","- C216 H144 F36 N8 Nd4 O32 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","x-ray","0.71073","MoKα","","0.0475","0.0342","","","0.0593","0.0638","","","","","","1.054","","","","has coordinates","268866","2021-09-06","12:02:46",""
"7060880","9.6987","0.0004","12.5344","0.0005","21.2378","0.0009","88.967","0.002","82.251","0.003","72.708","0.002","2441.96","0.18","100","2","100","","","","","","","","","6","P -1","-P 1","2","[Nd(L)3(phen)]","","","- C55 H35 F9 N2 Nd O6.5 -","- C54 H32 F9 N2 Nd O6 -","- C108 H64 F18 N4 Nd2 O12 -","2","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0593","0.0397","","","0.0787","0.0859","","","","","","1.031","","","","has coordinates,has disorder","268866","2021-09-06","12:02:46",""
"7060881","16.0334","0.0006","12.1038","0.0004","23.9698","0.0009","90","","102.218","0.002","90","","4546.3","0.3","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Nd(ntfa)3(phen)]","","","- C54 H32 F9 N2 Nd O6 -","- C54 H32 F9 N2 Nd O6 -","- C216 H128 F36 N8 Nd4 O24 -","4","1","","Vicente, Ramon; Tubau, Ànnia; Speed, Saskia; Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Massoud, Salah S.","Slow magnetic relaxation and luminescence properties in neodymium(iii)-4,4,4-trifluoro-1-(2-naphthyl)butane-1,3-dionato complexes incorporating bipyridyl ligands","New Journal of Chemistry","2021","45","32","14713","14723","10.1039/D1NJ02583J","","","0.71073","MoKα","","0.0795","0.0436","","","0.0677","0.0796","","","","","","1.049","","","","has coordinates,has disorder","268866","2021-09-06","12:02:46",""
"7060882","7.8954","0.0013","10.2306","0.0015","10.8425","0.0017","65.53","0.01","73.962","0.012","71.657","0.011","745.8","0.2","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C34 H38 N2 O6 -","2","1","","Xia, Ai-Bao; Li, Chen; Bai, Liang; Ge, Min-Tong; Wang, Ying; Qiu, Yuan-Rui; Xu, Dan-Qian","Base-controlled chemoselectivity: direct coupling of alcohols and acetonitriles to synthesise α-alkylated arylacetonitriles or acetamides","New Journal of Chemistry","2021","","","","","10.1039/D1NJ02243A","","","1.34139","GaKα","","0.1354","0.0743","","","0.1739","0.2163","","","","","","1.042","","","","has coordinates","267880","2021-08-01","04:00:15",""
"7060883","6.7162","0.0007","7.9031","0.0008","53.511","0.005","90","","90","","90","","2840.3","0.5","208","2","208.14","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N -","- C19 H15 N -","- C152 H120 N8 -","8","1","","Xia, Ai-Bao; Li, Chen; Bai, Liang; Ge, Min-Tong; Wang, Ying; Qiu, Yuan-Rui; Xu, Dan-Qian","Base-controlled chemoselectivity: direct coupling of alcohols and acetonitriles to synthesise α-alkylated arylacetonitriles or acetamides","New Journal of Chemistry","2021","","","","","10.1039/D1NJ02243A","","","1.34139","GaKα","","0.058","0.0428","","","0.0972","0.1065","","","","","","1.053","","","","has coordinates","267880","2021-08-01","04:00:37",""
"7060884","8.3009","0.0002","13.1441","0.0002","15.0336","0.0003","90.047","0.001","91.37","0.001","99.324","0.001","1618.13","0.06","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H27 Cl2 Cu N5 O5 -","- C37 H27 Cl2 Cu N5 O5 -","- C74 H54 Cl4 Cu2 N10 O10 -","2","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Hegde, Pooja L.; Revankar, Vidyanand K.; Kate, Anup; Kirtani, Deepti; Kumbhar, Anupa A.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization, protein binding, DNA cleavage and anticancer activity of fluorophore labelled copper(ii) complexes based on 1,8-naphthalimide conjugates","New Journal of Chemistry","2021","45","35","16319","16332","10.1039/D1NJ02696H","","","0.71073","MoKα","","0.0856","0.0491","","","0.1063","0.1196","","","","","","1.048","","","","has coordinates","269754","2021-10-06","16:03:18",""
"7060885","9.8396","0.0003","14.4614","0.0005","17.5182","0.0005","90","","95.273","0.002","90","","2482.19","0.13","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 Cl2 Cu N4 O2 -","- C29 H18 Cl2 Cu N4 O2 -","- C116 H72 Cl8 Cu4 N16 O8 -","4","1","","Shaikh, Sabiha A.; Bhat, Satish S.; Hegde, Pooja L.; Revankar, Vidyanand K.; Kate, Anup; Kirtani, Deepti; Kumbhar, Anupa A.; Kumbar, Vijay; Bhat, Kishore","Synthesis, structural characterization, protein binding, DNA cleavage and anticancer activity of fluorophore labelled copper(ii) complexes based on 1,8-naphthalimide conjugates","New Journal of Chemistry","2021","45","35","16319","16332","10.1039/D1NJ02696H","","","0.71073","MoKα","","0.0769","0.041","","","0.0827","0.0949","","","","","","0.983","","","","has coordinates","269754","2021-10-06","16:03:28",""
"7060886","28.45","0.06","5","0.01","24.77","0.06","90","","108.16","0.05","90","","3348","13","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C160 H128 O40 -","8","1","","Sharma, Suraj; Sarma, Bipul; Baishya, Gakul","Direct synthesis of 4-hydroxycoumarins and 4-hydroxy-6-methyl-2-pyrone containing chroman-4-ones via a silver catalyzed radical cascade cyclization reaction","New Journal of Chemistry","2021","45","34","15475","15486","10.1039/D1NJ03437E","","","0.71073","MoKα","","0.0966","0.0554","","","0.0928","0.101","","","","","","1.454","","","","has coordinates","268899","2021-09-06","12:15:07",""
"7060887","11.3299","0.0003","7.9601","0.0002","35.2801","0.0008","90","","98.177","0.001","90","","3149.46","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N3 O2 P Pd -","- C38 H32 N3 O2 P Pd -","- C152 H128 N12 O8 P4 Pd4 -","4","1","","Anandaraj, Pennamuthiriyan; Ramesh, Rengan; Kumaradhas, Poomani","Palladium(ii) N,N,O-pincer type complex-mediated dehydrogenative coupling of alcohols to quinazolines","New Journal of Chemistry","2021","45","36","16572","16580","10.1039/D1NJ03146E","","x-ray","0.71073","MoKα","","0.0394","0.0357","","","0.0727","0.074","","","","","","1.23","","","","has coordinates","269745","2021-10-06","16:01:40",""
"7060888","11.6578","0.0004","12.3412","0.0005","13.2461","0.0005","112.131","0.001","97.309","0.001","99.997","0.001","1699.33","0.11","296","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H31 Cl3 N3 O P Pd -","- C38 H31 Cl3 N3 O P Pd -","- C76 H62 Cl6 N6 O2 P2 Pd2 -","2","1","","Anandaraj, Pennamuthiriyan; Ramesh, Rengan; Kumaradhas, Poomani","Palladium(ii) N,N,O-pincer type complex-mediated dehydrogenative coupling of alcohols to quinazolines","New Journal of Chemistry","2021","45","36","16572","16580","10.1039/D1NJ03146E","","x-ray","0.71073","MoKα","","0.0349","0.0295","","","0.0754","0.0779","","","","","","0.983","","","","has coordinates","269745","2021-10-06","16:01:40",""
"7060889","8.0138","0.0004","28.7538","0.0015","10.6307","0.0006","90","","90","","90","","2449.6","0.2","100","2","99.99","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C25 H18 Ag F5 N4 O3 S -","- C25 H18 Ag F5 N4 O3 S -","- C100 H72 Ag4 F20 N16 O12 S4 -","4","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","x-ray","0.71073","MoKα","","0.0274","0.0236","","","0.0548","0.0568","","","","","","1.079","","","","has coordinates,has disorder","269767","2021-10-06","16:06:25",""
"7060890","8.9646","0.001","10.5726","0.0011","14.9137","0.0016","94.308","0.005","92.163","0.005","108.886","0.004","1330.7","0.3","293","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Ag2 F6 N8 O6 S2 -","- C54 H48 Ag2 F6 N8 O6 S2 -","- C54 H48 Ag2 F6 N8 O6 S2 -","1","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","","0.71073","MoKα","","0.0354","0.0287","","","0.0652","0.0709","","","","","","0.968","","","","has coordinates","269767","2021-10-06","16:06:25",""
"7060891","9.9431","0.0006","11.0069","0.0007","11.3978","0.0007","79.67","0.003","84.395","0.003","86.477","0.004","1220.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Ag2 Cl2 N12 O8 -","- C52 H50 Ag2 Cl2 N8 O8 -","- C52 H50 Ag2 Cl2 N8 O8 -","1","0.5","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","","0.71073","MoKα","","0.0411","0.0329","","","0.0774","0.082","","","","","","1.019","","","","has coordinates","269767","2021-10-06","16:06:25",""
"7060892","16.7725","0.0015","6.7506","0.0006","23.793","0.002","90","","105.66","0.005","90","","2594","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Ag F3 N4 O3.5 S3 -","- C26 H19 Ag F3 N4 O3.5 S3 -","- C104 H76 Ag4 F12 N16 O14 S12 -","4","1","","Adeleke, Adesola A.; Islam, Md. Shahidul; Olofinsan, Kolawole; Salau, Veronica F.; Mocktar, Chunderika; Omondi, Bernard","Evaluation of substituent bioactivity and anion impact of linear and T-shaped silver(i) pyridinyl complexes as potential antiproliferative, antioxidant, antimicrobial agents and DNA- and BSA-binders","New Journal of Chemistry","2021","45","38","17827","17846","10.1039/D1NJ03231C","","x-ray","0.71073","MoKα","","0.0435","0.0316","","","0.0793","0.0874","","","","","","1.032","","","","has coordinates,has disorder","269767","2021-10-06","16:06:25",""
"7060893","9.8582","0.0004","17.8425","0.0007","22.8923","0.0011","90","","90","","90","","4026.6","0.3","293","2","293","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C6 H21 Cl3 F6.13 N O3 P Ru S3 -","- C6 H21 Cl3 F6.126 N O3 P Ru S3 -","- C48 H168 Cl24 F49.008 N8 O24 P8 Ru8 S24 -","8","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.1058","0.0695","","","0.1394","0.1529","","","","","","1.25","","","","has coordinates,has disorder","269740","2021-10-06","16:00:23",""
"7060894","13.6347","0.0003","10.9933","0.0002","11.307","0.0002","90","","90","","90","","1694.81","0.06","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C8 H21 Cl2 N O3 Ru S3 -","- C8 H21 Cl2 N O3 Ru S3 -","- C32 H84 Cl8 N4 O12 Ru4 S12 -","4","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.0263","0.0246","","","0.0609","0.062","","","","","","0.966","","","","has coordinates","269740","2021-10-06","16:00:23",""
"7060895","11.661","0.002","8.5427","0.0016","15.357","0.003","90","","109.46","0.02","90","","1442.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl2 N2 O2 Ru S2 -","- C6 H18 Cl2 N2 O2 Ru S2 -","- C24 H72 Cl8 N8 O8 Ru4 S8 -","4","1","","Trivedi, Manoj; Dubey, Santosh Kumar; Kaur, Gurmeet; Rath, Nigam P.","Ru(ii)- and Ru(iv)-dmso complexes catalyze efficient and selective aqueous-phase nitrile hydration reactions under mild conditions","New Journal of Chemistry","2021","45","37","17339","17346","10.1039/D1NJ03041H","","","0.71073","MoKα","","0.0721","0.0656","","","0.1867","0.193","","","","","","1.195","","","","has coordinates","269740","2021-10-06","16:00:23",""
"7060896","14.6135","0.0007","8.3808","0.0004","31.815","0.001","90","","91.948","0.004","90","","3894.2","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl4 N6 O20 -","- C28 H46 Cl4 N6 O20 -","- C112 H184 Cl16 N24 O80 -","4","1","","Bartoli, Francesco; Conti, Luca; Romano, Giammarco Maria; Massai, Lara; Paoli, Paola; Rossi, Patrizia; Pietraperzia, Giangaetano; Gellini, Cristina; Bencini, Andrea","Protonation of cyclen-based chelating agents containing fluorescent moieties","New Journal of Chemistry","2021","45","36","16926","16938","10.1039/D1NJ03539H","","","0.71073","MoKα","","0.1541","0.0994","","","0.1695","0.1911","","","","","","1.126","","","","has coordinates,has disorder","269748","2021-10-06","16:02:09",""
"7060897","11.3598","0.0004","28.889","0.0008","10.916","0.0003","90","","100.708","0.001","90","","3519.96","0.19","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Cl Cu2 N4 O15 -","- C31 H37 Cl Cu2 N4 O15 -","- C124 H148 Cl4 Cu8 N16 O60 -","4","1","","Yao, Guang-Xu; Li, Peng; Zhang, Jin-Qiang; Wang, Li; Liu, Hui; Dong, Wen-Kui","A highly efficient yet stable salamo-type fluorescent chemosensor with multiple responses to Cu2+ and S2−","New Journal of Chemistry","2021","45","37","17347","17355","10.1039/D1NJ02763H","","","0.71073","MoKα","","0.096","0.0694","","","0.161","0.1774","","","","","","1.069","","","","has coordinates,has disorder","269743","2021-10-06","16:00:44",""
"7060898","9.936","0.001","17.6315","0.0017","21.705","0.002","90","","90","","90","","3802.4","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl Co N3 O7 -","- C15 H26 Cl Co N3 O7 -","- C120 H208 Cl8 Co8 N24 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0608","0.0418","","","0.1186","0.1325","","","","","","0.9584","","","","has coordinates","269751","2021-10-06","16:02:48",""
"7060899","10.402","0.0004","8.6849","0.0003","22.0247","0.0008","90","","92.642","0.001","90","","1987.6","0.13","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cl Cu N4 O6 -","- C16 H25 Cl Cu N4 O6 -","- C64 H100 Cl4 Cu4 N16 O24 -","4","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0436","0.0379","","","0.0876","0.0921","","","","","","1.077","","","","has coordinates","269751","2021-10-06","16:02:50",""
"7060900","9.8845","0.0005","17.5819","0.0009","21.6657","0.0011","90","","90","","90","","3765.2","0.3","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl N3 Ni O7 -","- C15 H26 Cl N3 Ni O7 -","- C120 H208 Cl8 N24 Ni8 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0372","0.0296","","","0.1053","0.1133","","","","","","0.9199","","","","has coordinates","269751","2021-10-06","16:02:52",""
"7060901","10.0781","0.0003","17.6611","0.0005","21.6437","0.0006","90","","90","","90","","3852.37","0.19","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H26 Cl Mn N3 O7 -","- C15 H26 Cl Mn N3 O7 -","- C120 H208 Cl8 Mn8 N24 O56 -","8","1","","Manda, Munirathnam; Arora, Himanshu; Sengupta, Arunava; Kant, Shashi; Lloret, Francesc; Mukherjee, Rabindranath","Dimeric Mn(ii), Co(ii), Ni(ii) and Cu(ii) complexes of a common carboxylate-appended (2-pyridyl)alkylamine ligand: structure, magnetism and DFT study","New Journal of Chemistry","2021","45","35","16019","16029","10.1039/D1NJ01150B","","","0.71073","MoKα","","0.0348","0.0295","","","0.0691","0.0735","","","","","","1.0675","","","","has coordinates","269751","2021-10-06","16:02:52",""
"7060902","6.424","0.005","12.641","0.005","12.76","0.005","97.737","0.005","103.106","0.005","94.789","0.005","993","1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H34 N4 O6 -","- C48 H34 N4 O6 -","- C48 H34 N4 O6 -","1","1","","Bao, Changjiang; Li, Yanwei; Li, Yanhui; Si, Zhenjun; Zhang, Yanru; Chen, Changshun; Wang, Lei; Duan, Qian","A series of asymmetric and symmetric porphyrin derivatives: one-pot synthesis, nonlinear optical and optical limiting properties","New Journal of Chemistry","2021","45","35","16030","16038","10.1039/D1NJ02632A","","","0.71073","MoKα","","0.1334","0.0735","","","0.183","0.2207","","","","","","1.027","","","","has coordinates","269761","2021-10-06","16:04:23",""
"7060903","15.149","0.005","7.696","0.003","19.735","0.006","90","","104.073","0.008","90","","2231.8","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4,6-dimethoxy-6b,10,10-trimethyl-3-phenyl-3,6b,7,8,9,10-hexahydro-1H-indeno[1,2,3-de]isochromene","","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","","Satish, Nagam; Raju, Siruvuri Krishnam; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","The synthesis of indeno[de]isochromene derivatives from arylvinyl epoxides and carbonyl compounds via tandem Nazarov and oxa-Pictet–Spengler cyclizations","New Journal of Chemistry","2021","45","35","16248","16253","10.1039/D1NJ03654H","","","0.71073","MoKα","","0.0672","0.0533","","","0.1311","0.1427","","","","","","1.084","","","","has coordinates,has disorder","269755","2021-10-06","16:03:38",""
"7060904","12.435","0.008","10.019","0.007","15.766","0.01","90","","100.344","0.009","90","","1932","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6,8-dimethoxy-4,5,5-trimethyl-3-(p-tolyl)-3,5-dihydro-1H-cyclopenta[de]isochromene","","","- C23 H26 O3 -","- C23 H26 O3 -","- C92 H104 O12 -","4","1","","Satish, Nagam; Raju, Siruvuri Krishnam; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula","The synthesis of indeno[de]isochromene derivatives from arylvinyl epoxides and carbonyl compounds via tandem Nazarov and oxa-Pictet–Spengler cyclizations","New Journal of Chemistry","2021","45","35","16248","16253","10.1039/D1NJ03654H","","","0.71073","MoKα","","0.0899","0.0609","","","0.1485","0.1696","","","","","","1.04","","","","has coordinates","269755","2021-10-06","16:03:48",""
"7060905","9.854","0.0005","12.4096","0.0009","13.1516","0.0006","64.575","0.006","71.386","0.005","85.694","0.005","1372.88","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32.5 N3 O4 Si -","- C30 H32.5 N3 O4 Si -","- C60 H65 N6 O8 Si2 -","2","1","","Singh, Gurjaspreet; Sharma, Sanjay; Singh, Akshpreet; Kaur, Ranjeet; Pawan,; Mohit,; Rana, Shweta; Sahoo, Subash Chandra; Kaur, Amarjit","The first report of X-ray characterized organosilatrane-based receptors for the electrochemical analysis of Al3+ ions","New Journal of Chemistry","2021","45","35","16083","16091","10.1039/D1NJ02893F","","x-ray","0.71073","MoKα","","0.1104","0.0713","","","0.1893","0.2352","","","","","","1.1","","","","has coordinates,has disorder","269749","2021-10-06","16:02:27",""
"7060906","11.6475","0.0008","12.5986","0.001","26.1644","0.0019","90","","90","","90","","3839.4","0.5","150","2","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C208 H160 N16 O8 -","8","1","","Karmakar, Swastik; Das, Prasanta; Kundu, Sandip","Silver-catalyzed tandem 5- and 6-endo-cyclizations via concomitant yne-ol-imine activation: selective entry to 2-aryldihydrofuroquinolines","New Journal of Chemistry","2021","45","35","16112","16118","10.1039/D1NJ02643G","","","1.54184","CuKα","","0.0443","0.0431","","","0.1051","0.1064","","","","","","1.114","","","","has coordinates","269756","2021-10-06","16:03:53",""
"7060907","9.812","0.0002","12.863","0.0003","15.467","0.0003","110.229","0.002","96.599","0.002","106.447","0.002","1706.93","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","2","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.0496","0.043","","","0.1102","0.1145","","","","","","1.057","","","","has coordinates","269741","2021-10-06","16:00:31",""
"7060908","10.045","0.0001","20.4122","0.0002","17.876","0.0002","90","","103.348","0.001","90","","3566.29","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O -","- C25 H16 N2 O -","- C200 H128 N16 O8 -","8","2","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.077","0.0663","","","0.179","0.1918","","","","","","1.043","","","","has coordinates","269741","2021-10-06","16:00:31",""
"7060909","10.3742","0.0002","11.1","0.0002","11.2768","0.0002","92.4379","0.0016","94.2137","0.0015","91.8446","0.0016","1293.07","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H39 Cl9 N4 O2 -","- C57 H39 Cl9 N4 O2 -","- C57 H39 Cl9 N4 O2 -","1","0.5","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.0485","0.0437","","","0.1124","0.1165","","","","","","1.066","","","","has coordinates,has disorder","269741","2021-10-06","16:00:31",""
"7060910","4.8515","0.0002","21.804","0.0012","11.5794","0.0005","90","","91.942","0.004","90","","1224.19","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H19 Cl3 N2 O -","- C30 H19 Cl3 N2 O -","- C60 H38 Cl6 N4 O2 -","2","1","","Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming","Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores","New Journal of Chemistry","2021","45","37","17366","17376","10.1039/D1NJ03044B","","x-ray","1.54184","CuKα","","0.084","0.0694","","","0.1904","0.2025","","","","","","1.06","","","","has coordinates,has disorder","269741","2021-10-06","16:00:31",""
"7060911","10.0932","0.0006","17.334","0.001","11.369","0.0007","90","","104.954","0.006","90","","1921.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C100 H72 O16 -","4","1","","Huang, Jie; Sun, Shaofa; Ma, Ping; Wang, Jian; Lee, Kevin; Xing, Yalan; Wu, Yang; Wang, Gangqiang","Highly diastereoselective spiro-cyclopropanation of 2-arylidene-1,3-indanediones and dimethylsulfonium ylides","New Journal of Chemistry","2021","45","40","18776","18780","10.1039/D1NJ02886C","","x-ray","0.71073","MoKα","","0.0508","0.0414","","","0.0931","0.0989","","","","","","1.076","","","","has coordinates","270487","2021-11-06","20:32:34",""
"7060912","26.9078","0.001","27.1717","0.0011","34.4369","0.0013","90","","90","","90","","25177.9","1.7","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C128 H146 Cl4 N10 O8 S10 -","- C128 H146 Cl4 N10 O8 S10 -","- C1024 H1168 Cl32 N80 O64 S80 -","8","1","","Rahman, Shofiur; Tomiyasu, Hirotsugu; Wang, Chuan-Zeng; Georghiou, Paris E.; Alodhayb, Abdullah; Carpenter-Warren, Cameron L.; Elsegood, Mark R. J.; Teat, Simon J.; Redshaw, Carl; Yamato, Takehiko","Allosteric binding properties of a 1,3-alternate thiacalix[4]arene-based receptor having phenylthiourea and 2-pyridylmethyl moieties on opposite faces","New Journal of Chemistry","2021","45","41","19235","19243","10.1039/D1NJ02991F","","","0.7749","synchrotron","","0.0764","0.0513","","","0.1292","0.1555","","","","","","1.055","","","","has coordinates,has disorder","270469","2021-11-06","20:29:22",""
"7060913","14.9802","0.0013","11.051","0.0007","20.2398","0.0015","90","","106.685","0.006","90","","3209.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H33 Br2 N3 Pd -","- C35 H33 Br2 N3 Pd -","- C140 H132 Br8 N12 Pd4 -","4","1","","el-Krim Sandeli, Abd; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail","Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes","New Journal of Chemistry","2021","45","38","17878","17892","10.1039/D1NJ03388C","","","0.71073","MoKα","","0.231","0.0927","","","0.1253","0.1641","","","","","","0.972","","","","has coordinates","269762","2021-10-06","16:04:38",""
"7060914","9.3043","0.0007","11.1447","0.0009","17.5332","0.0014","91.19","0.006","104.973","0.006","103.026","0.006","1705.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Br2 N3 Pd -","- C38 H39 Br2 N3 Pd -","- C76 H78 Br4 N6 Pd2 -","2","1","","el-Krim Sandeli, Abd; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail","Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes","New Journal of Chemistry","2021","45","38","17878","17892","10.1039/D1NJ03388C","","","0.71073","MoKα","","0.1301","0.0771","","","0.175","0.2089","","","","","","1.036","","","","has coordinates","269762","2021-10-06","16:04:41",""
"7060915","11.9557","0.0009","16.644","0.0008","18.4136","0.0013","90","","106.908","0.006","90","","3505.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 Br2 N3 O3 Pd -","- C37 H37 Br2 N3 O3 Pd -","- C148 H148 Br8 N12 O12 Pd4 -","4","1","","el-Krim Sandeli, Abd; Khiri-Meribout, Naima; Benzerka, Saida; Boulebd, Houssem; Gürbüz, Nevin; Özdemir, Namık; Özdemir, İsmail","Synthesis, structures, DFT calculations, and catalytic application in the direct arylation of five-membered heteroarenes with aryl bromides of novel palladium-N-heterocyclic carbene PEPPSI-type complexes","New Journal of Chemistry","2021","45","38","17878","17892","10.1039/D1NJ03388C","","","0.71073","MoKα","","0.0727","0.0534","","","0.0962","0.1022","","","","","","1.165","","","","has coordinates","269762","2021-10-06","16:04:46",""
"7060916","7.3267","0.0005","10.2286","0.0007","18.5961","0.0011","90","","90.66","0.002","90","","1393.53","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Fe N2 P -","- C15 H17 Fe N2 P -","- C60 H68 Fe4 N8 P4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0634","0.0371","","","0.0667","0.0732","","","","","","1.025","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060917","7.5627","0.001","10.1352","0.0014","16.263","0.002","90","","98.888","0.005","90","","1231.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Fe2 N2 -","- C30 H36 Fe2 N2 -","- C60 H72 Fe4 N4 -","2","0.5","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0948","0.0835","","","0.2367","0.245","","","","","","1.1","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060918","19.1416","0.001","9.774","0.0006","8.2857","0.0005","90","","94.672","0.002","90","","1545.02","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe N2 P -","- C18 H15 Fe N2 P -","- C72 H60 Fe4 N8 P4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0597","0.045","","","0.1004","0.1056","","","","","","1.155","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060919","41.9024","0.001","10.1534","0.0003","21.7438","0.0005","90","","104.147","0.001","90","","8970.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Fe N2 P -","- C12 H11 Fe N2 P -","- C384 H352 Fe32 N64 P32 -","32","4","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0481","0.0334","","","0.0621","0.0652","","","","","","1.02","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060920","11.664","0.0008","7.3497","0.0005","15.3627","0.001","90","","91.718","0.002","90","","1316.4","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Fe N2 O P -","- C14 H13 Fe N2 O P -","- C56 H52 Fe4 N8 O4 P4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0317","0.0271","","","0.0746","0.0773","","","","","","1.187","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060921","9.7557","0.0004","12.9751","0.0005","13.2097","0.0006","65.892","0.002","70.324","0.002","72.391","0.002","1410.41","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Fe N4 P2 -","- C14 H12 Fe N4 P2 -","- C56 H48 Fe4 N16 P8 -","4","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0418","0.0293","","","0.0606","0.0635","","","","","","1.039","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060922","11.5955","0.0013","7.3503","0.0008","15.4894","0.0015","90","","92.284","0.004","90","","1319.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 As Fe N2 O -","- C14 H13 As Fe N2 O -","- C56 H52 As4 Fe4 N8 O4 -","4","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0613","0.0458","","","0.0843","0.0892","","","","","","1.101","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060923","8.8683","0.0007","9.7413","0.0007","21.2822","0.0012","90","","90","","90","","1838.5","0.2","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C18 H16 Fe N4 O2 P2 -","- C18 H16 Fe N4 O2 P2 -","- C72 H64 Fe4 N16 O8 P8 -","4","0.5","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0604","0.0372","","","0.0737","0.0813","","","","","","1.084","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060924","9.7872","0.0005","12.8584","0.0005","20.2069","0.0009","90","","90","","90","","2543","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Fe N2 O -","- C14 H16 Fe N2 O -","- C112 H128 Fe8 N16 O8 -","8","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0573","0.0392","","","0.0636","0.0674","","","","","","0.981","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060925","16.3414","0.0011","7.8369","0.0005","19.833","0.001","90","","90","","90","","2539.9","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Fe N2 O -","- C14 H16 Fe N2 O -","- C112 H128 Fe8 N16 O8 -","8","1","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0895","0.0473","","","0.0873","0.0966","","","","","","0.986","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060926","28.021","0.002","7.3169","0.0005","10.7673","0.0008","90","","101.809","0.002","90","","2160.9","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H14 Fe N2 -","- C12 H14 Fe N2 -","- C96 H112 Fe8 N16 -","8","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.058","0.0534","","","0.1344","0.1366","","","","","","1.182","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7060927","8.9108","0.0006","5.2991","0.0004","8.3414","0.0006","90","","90","","90","","393.87","0.05","302","","302","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Cl N O3 -","- Ba Cl N O3 -","- Ba4 Cl4 N4 O12 -","4","0.5","","Chen, Zhen; Zeng, Hao; Han, Shujuan; Yang, Zhihua; Pan, Shilie","From BaCl2 to Ba(NO3)Cl: significantly enhanced birefringence derived from π-conjugated [NO3]","New Journal of Chemistry","2021","45","37","17544","17550","10.1039/D1NJ03282H","","","0.71073","MoKα","","0.0236","0.0166","","","0.0277","0.0295","","","","","","1.005","","","","has coordinates","269742","2021-10-06","16:00:38",""
"7060928","14.2921","0.0007","21.5474","0.0009","15.6029","0.0007","90","","94.754","0.002","90","","4788.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H40 Co N12 O0 P2 -","- C48 H40 Co N12 P2 -","- C192 H160 Co4 N48 P8 -","4","1","","Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling","Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes","New Journal of Chemistry","2021","45","36","16852","16861","10.1039/D1NJ01916C","","","0.71073","MoKα","","0.0912","0.0566","","","0.1248","0.1406","","","","","","1.014","","","","has coordinates,has disorder","269746","2021-10-06","16:01:51",""
"7060929","22.538","0.003","15.0939","0.0018","14.9601","0.0018","90","","108.721","0.002","90","","4820","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Co N4 P2 S4 -","- C52 H40 Co N4 P2 S4 -","- C208 H160 Co4 N16 P8 S16 -","4","0.5","","Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling","Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes","New Journal of Chemistry","2021","45","36","16852","16861","10.1039/D1NJ01916C","","","0.71073","MoKα","","0.0637","0.0458","","","0.1177","0.1318","","","","","","1.037","","","","has coordinates","269746","2021-10-06","16:01:51",""
"7060930","22.276","0.003","14.828","0.003","13.6901","0.0018","90","","104.641","0.004","90","","4375.1","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H40 Co N4 O4 P2 S0 -","- C52 H40 Co N4 O4 P2 -","- C208 H160 Co4 N16 O16 P8 -","4","0.5","","Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling","Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes","New Journal of Chemistry","2021","45","36","16852","16861","10.1039/D1NJ01916C","","","0.71073","MoKα","","0.0757","0.057","","","0.1204","0.1269","","","","","","1.098","","","","has coordinates","269746","2021-10-06","16:01:51",""
"7060931","9.0226","0.0005","10.2799","0.0006","17.7088","0.0011","96.927","0.003","92.816","0.003","115.474","0.002","1462.63","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23 Fe2 O6 P S2 -","- C31 H23 Fe2 O6 P S2 -","- C62 H46 Fe4 O12 P2 S4 -","2","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.0608","0.0382","","","0.0901","0.1008","","","","","","1.013","","","","has coordinates","269764","2021-10-06","16:05:26",""
"7060932","14.3643","0.0005","18.3822","0.0007","17.9936","0.0006","90","","110.096","0.001","90","","4461.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Fe2 O5 P2 S2 -","- C48 H38 Fe2 O5 P2 S2 -","- C192 H152 Fe8 O20 P8 S8 -","4","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.0909","0.0742","","","0.2205","0.2419","","","","","","1.074","","","","has coordinates","269764","2021-10-06","16:05:28",""
"7060933","9.2009","0.0006","13.4863","0.001","16.7738","0.0012","77.342","0.004","89.522","0.004","70.674","0.004","1911.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Fe2 O5 P2 S2 -","- C42 H34 Fe2 O5 P2 S2 -","- C84 H68 Fe4 O10 P4 S4 -","2","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.1173","0.0717","","","0.1139","0.1342","","","","","","1.141","","","","has coordinates","269764","2021-10-06","16:05:45",""
"7060934","9.2488","0.0006","13.4812","0.0008","17.0713","0.0011","77.746","0.003","89.45","0.003","70.192","0.003","1952.5","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Fe2 O5 P2 S2 -","- C43 H36 Fe2 O5 P2 S2 -","- C86 H72 Fe4 O10 P4 S4 -","2","1","","Gu, Xiao-Li; Li, Jian-Rong; Jin, Bo; Guo, Yang; Jing, Xing-Bin; Zhao, Pei-Hua","Phosphine-substituted diiron complexes Fe2(μ-Rodt)(CO)6−n(PPh3)n (R = Ph, Me, H and n = 1, 2) featuring desymmetrized oxadithiolate bridges: structures, protonation, and electrocatalysis","New Journal of Chemistry","2021","45","38","17996","18007","10.1039/D1NJ03398K","","","0.71073","MoKα","","0.0744","0.0478","","","0.1271","0.1462","","","","","","1.0347","","","","has coordinates,has disorder","269764","2021-10-06","16:05:48",""
"7060935","10.0192","0.0008","10.9995","0.001","11.4502","0.0007","70.565","0.007","69.674","0.006","63.328","0.008","1033.58","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cd N3 O11 -","- C17 H20 Cd N3 O11 -","- C34 H40 Cd2 N6 O22 -","2","1","","Guo, Zhongcheng; Zhang, Yimeng; Liu, Jinggang; Han, Bingxue; Li, Gang","Two imidazole multicarboxylate-based MOFs: syntheses, structures and proton conductive properties","New Journal of Chemistry","2021","45","36","16971","16977","10.1039/D1NJ03002G","","","1.54184","CuKα","","0.0702","0.0579","","","0.1442","0.1535","","","","","","1.036","","","","has coordinates","269747","2021-10-06","16:01:56",""
"7060936","9.012","0.003","10.387","0.004","16.294","0.005","90","","105.724","0.013","90","","1468.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Au Cl N2 O -","- C13 H16 Au Cl N2 O -","- C52 H64 Au4 Cl4 N8 O4 -","4","1","","Costabile, Chiara; Mariconda, Annaluisa; Sirignano, Marco; Crispini, Alessandra; Scarpelli, Francesca; Longo, Pasquale","A green approach for A3-coupling reactions: an experimental and theoretical study on NHC silver and gold catalysts","New Journal of Chemistry","2021","45","39","18509","18517","10.1039/D1NJ03444H","","","0.71073","MoKα","","0.0208","0.0166","","","0.0378","0.0391","","","","","","1.058","","","","has coordinates","270484","2021-11-06","20:31:56",""
"7060937","16.21","0.002","7.1384","0.0018","23.224","0.003","90","","108.986","0.013","90","","2541.1","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Au Cl N8 O3 S2 -","- C16 H20 Au Cl N8 O3 S2 -","- C64 H80 Au4 Cl4 N32 O12 S8 -","4","0.5","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","x-ray","1.54178","CuKα","","0.1309","0.0816","","","0.2011","0.2307","","","","","","1.066","","","","has coordinates,has disorder","270485","2021-11-06","20:32:03",""
"7060938","7.0766","0.0002","12.4355","0.0003","8.0835","0.0004","90","","90.355","0.004","90","","711.34","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H9 Au2 Cl3 N4 S -","- C8 H9 Au2 Cl3 N4 S -","- C16 H18 Au4 Cl6 N8 S2 -","2","1","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","","0.71073","MoKα","","0.0789","0.0581","","","0.1311","0.1446","","","","","","1","","","","has coordinates","270485","2021-11-06","20:32:03",""
"7060939","7.3584","0.0003","7.8336","0.0003","12.6006","0.0004","99.299","0.003","90.361","0.003","92.429","0.003","716.08","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H14 Au Cl2 N4 O S -","- C9 H14 Au Cl2 N4 O S -","- C18 H28 Au2 Cl4 N8 O2 S2 -","2","1","","Mageed, Ahmed Hassoon; Al-Ameed, Karrar","Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand","New Journal of Chemistry","2021","45","39","18433","18442","10.1039/D1NJ03647E","","","0.71073","MoKα","","0.0717","0.0457","","","0.0781","0.0913","","","","","","1.002","","","","has coordinates","270485","2021-11-06","20:32:03",""
"7060940","7.1413","0.0005","10.5119","0.0007","11.2705","0.0008","106.58","0.002","107.348","0.002","90.391","0.002","770.08","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 N Na O2 P2 -","- C14 H18 N Na O2 P2 -","- C28 H36 N2 Na2 O4 P4 -","2","1","","Panova, Yulia; Khristolyubova, Alexandra; Sushev, Vyacheslav; Zolotareva, Natalya; Baranov, Evgeny V.; Fukin, Georgii K.; Kornev, Alexander","Rearrangements and Reductive Cleavage of 3а,6а-Diaza-1,4-diphosphapentalenes","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03341G","","","0.71073","MoKα","","0.1434","0.077","","","0.1331","0.1571","","","","","","1.035","","","","has coordinates,has disorder","268990","2021-09-07","00:32:58",""
"7060941","21.5266","0.0007","5.1677","0.0002","12.6369","0.0004","90","","97.827","0.003","90","","1392.67","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 P2 -","- C16 H14 N2 P2 -","- C64 H56 N8 P8 -","4","0.5","","Panova, Yulia; Khristolyubova, Alexandra; Sushev, Vyacheslav; Zolotareva, Natalya; Baranov, Evgeny V.; Fukin, Georgii K.; Kornev, Alexander","Rearrangements and Reductive Cleavage of 3а,6а-Diaza-1,4-diphosphapentalenes","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03341G","","","0.71073","MoKα","","0.0394","0.0307","","","0.0721","0.0744","","","","","","1.047","","","","has coordinates","268990","2021-09-07","00:32:59",""
"7060942","16.7757","0.0003","21.2281","0.0004","19.697","0.0004","90","","103.997","0.001","90","","6806.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H92 N4 Na4 O12 P4 -","- C64 H92 N4 Na4 O12 P4 -","- C256 H368 N16 Na16 O48 P16 -","4","1","","Panova, Yulia; Khristolyubova, Alexandra; Sushev, Vyacheslav; Zolotareva, Natalya; Baranov, Evgeny V.; Fukin, Georgii K.; Kornev, Alexander","Rearrangements and Reductive Cleavage of 3а,6а-Diaza-1,4-diphosphapentalenes","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03341G","","","0.71073","MoKα","","0.0486","0.0377","","","0.0951","0.0996","","","","","","1.041","","","","has coordinates,has disorder","268990","2021-09-07","00:32:59",""
"7060943","13.2","0.0004","13.617","0.0004","17.2854","0.0006","94.404","0.002","109.64","0.002","101.574","0.002","2831.46","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cl2 N16 O12 Zn2 -","- C44 H38 Cl2 N16 O12 Zn2 -","- C88 H76 Cl4 N32 O24 Zn4 -","2","1","","Mati, Soumya Sundar; Konar, Saugata; Samai, Boby","Synthesis of an unprecedented H-stitched binuclear crystal structure based on selective fluorescence recognition of Zn2+ in newly synthesized Schiff base ligand with DFT and imaging application in living cells","New Journal of Chemistry","2021","45","39","18459","18471","10.1039/D1NJ03471E","","","0.71073","MoKα","","0.058","0.0442","","","0.1283","0.1345","","","","","","1.05","","","","has coordinates","270483","2021-11-06","20:31:38",""
"7060944","17.5924","0.0013","16.7807","0.0012","20.6012","0.0015","90","","110.266","0.002","90","","5705.2","0.7","173","2","173.02","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Gd2 N9 Ni O23 -","- C36 H24 Gd2 N8 Ni O22 -","- C144 H96 Gd8 N32 Ni4 O88 -","4","0.5","","Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin","Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks","New Journal of Chemistry","2021","45","40","18790","18795","10.1039/D1NJ03479K","","x-ray","0.71073","MoKα","K-L~3~","0.0486","0.0384","","","0.1021","0.11","","","","","","1.045","","","","has coordinates,has disorder","270491","2021-11-06","20:33:00",""
"7060945","11.0599","0.001","12.4532","0.001","22.2391","0.0018","101.704","0.003","103.402","0.003","95.429","0.003","2885.2","0.4","173","2","173.02","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 Co Gd2 N9 O25 -","- C36 H18 Co Gd2 N7 O21 -","- C72 H36 Co2 Gd4 N14 O42 -","2","1","","Yang, Yu; Fu, Yaomei; You, Siqi; Li, Mingyue; Qin, Chao; Zhao, Liang; Su, Zhongmin","Synthesis and CO2 photoreduction of two 3d–4f heterometal–organic frameworks","New Journal of Chemistry","2021","45","40","18790","18795","10.1039/D1NJ03479K","","x-ray","0.71073","MoKα","K-L~3~","0.0379","0.0292","","","0.0823","0.0865","","","","","","1.05","","","","has coordinates,has disorder","270491","2021-11-06","20:33:00",""
"7060946","11.2948","0.0005","15.2912","0.0006","10.9882","0.0003","90","","102.406","0.0018","90","","1853.47","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Seenan, Shanthi; Manickam, Saravanakumar; Kulathu Iyer, Sathiyanarayanan","Fluorescent chemosensors for Hg2+ ions based on a pyridine-attached phenanthridine probe","New Journal of Chemistry","2021","45","37","17667","17673","10.1039/D1NJ03561D","","","0.71073","MoKα","","0.0719","0.0396","","","0.0857","0.1015","","","","","","1.016","","","","has coordinates","269739","2021-10-06","16:00:16",""
"7060947","4.9672","0.0003","12.7852","0.001","14.3081","0.0013","88.99","0.003","81.51","0.002","86.431","0.002","896.93","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 Cl2 N10 O11 -","- C7 H16 Cl2 N10 O11 -","- C14 H32 Cl4 N20 O22 -","2","1","","Dai, Changhao; Chen, Jieyi; Tang, Jie; Cheng, Guangbin; Yang, Hongwei","Combining 1,2,4-triazole and pyrazole frameworks for new insensitive energetic materials","New Journal of Chemistry","2021","45","38","17960","17965","10.1039/D1NJ03433B","","","0.71073","MoKα","","0.0934","0.0694","","","0.1758","0.1968","","","","","","1.045","","","","has coordinates","269768","2021-10-06","16:06:30",""
"7060948","12.312","0.004","34.2","0.012","13.951","0.005","90","","104.875","0.005","90","","5677","3","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 N16 O8 -","- C58 H59 N16 O8 -","- C232 H236 N64 O32 -","4","1","","Linet, Amrutham; Joseph, Manu M.; Mambatta, Haritha; k, Shamna; varughese, Sunil; Devi, Parukuttyamma Sujatha; Suresch, CH; Maiti, Kaustabh; Neogi, Ishita","Design and Synthesis of De Novo Boomerang Shaped Molecules and their In Silico & SERS-based Interactions with SARS-CoV-2 Spike Protein and ACE2","New Journal of Chemistry","2021","","","","","10.1039/D1NJ02955J","","","0.71073","MoKα","","0.2025","0.0697","","","0.1643","0.2176","","","","","","0.863","","","","has coordinates,has disorder","269105","2021-09-12","00:02:06",""
"7060949","16.4295","0.0008","14.9858","0.0008","16.3738","0.001","90","","118.122","0.002","90","","3555.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 F14 N4 P2 Pd2 Se2 -","- C32 H24 F14 N4 P2 Pd2 Se2 -","- C128 H96 F56 N16 P8 Pd8 Se8 -","4","1","","Cechin, Camila N.; Cabral, Bruno N.; Bublitz, Fabrício; Bortolotto, Tanize; da Silveira, Géssica D.; de Carvalho, Leandro M.; Cargnelutti, Roberta; Abram, Ulrich; Nakagaki, Shirley; Lang, Ernesto S.; Tirloni, Bárbara","Nuclearity growth of new PdII complexes induced by the electronic effect of selenium-containing ligands","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03710B","","","0.71073","MoKα","","0.0314","0.0252","","","0.0545","0.0569","","","","","","1.042","","","","has coordinates","269143","2021-09-15","00:16:41",""
"7060950","12.4503","0.0007","15.3071","0.001","34.15","0.002","90","","90.411","0.002","90","","6508.1","0.7","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 F12 N6 P2 Pd3 Se4 -","- C60 H66 F12 N6 P2 Pd3 Se4 -","- C240 H264 F48 N24 P8 Pd12 Se16 -","4","1","","Cechin, Camila N.; Cabral, Bruno N.; Bublitz, Fabrício; Bortolotto, Tanize; da Silveira, Géssica D.; de Carvalho, Leandro M.; Cargnelutti, Roberta; Abram, Ulrich; Nakagaki, Shirley; Lang, Ernesto S.; Tirloni, Bárbara","Nuclearity growth of new PdII complexes induced by the electronic effect of selenium-containing ligands","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03710B","","","0.71073","MoKα","","0.0825","0.0451","","","0.072","0.0816","","","","","","1.035","","","","has coordinates","269143","2021-09-15","00:16:42",""
"7060951","15.7921","0.0011","46.834","0.004","16.0606","0.0011","90","","116.209","0.002","90","","10657.3","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 F12 N4 P2 Pd2 Se2 -","- C32 H26 F12 N4 P2 Pd2 Se2 -","- C384 H312 F144 N48 P24 Pd24 Se24 -","12","3","","Cechin, Camila N.; Cabral, Bruno N.; Bublitz, Fabrício; Bortolotto, Tanize; da Silveira, Géssica D.; de Carvalho, Leandro M.; Cargnelutti, Roberta; Abram, Ulrich; Nakagaki, Shirley; Lang, Ernesto S.; Tirloni, Bárbara","Nuclearity growth of new PdII complexes induced by the electronic effect of selenium-containing ligands","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03710B","","","0.71073","MoKα","","0.0802","0.0532","","","0.0762","0.0821","","","","","","1.106","","","","has coordinates","269143","2021-09-15","00:16:42",""
"7060952","8.2149","0.0005","15.0033","0.001","16.3008","0.001","107.372","0.002","92.431","0.002","105.091","0.002","1835.5","0.2","145","2","145","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H24 Cl2 F12 N4 P2 Pd2 Se2 -","- C32 H24 Cl2 F12 N4 P2 Pd2 Se2 -","- C64 H48 Cl4 F24 N8 P4 Pd4 Se4 -","2","1","","Cechin, Camila N.; Cabral, Bruno N.; Bublitz, Fabrício; Bortolotto, Tanize; da Silveira, Géssica D.; de Carvalho, Leandro M.; Cargnelutti, Roberta; Abram, Ulrich; Nakagaki, Shirley; Lang, Ernesto S.; Tirloni, Bárbara","Nuclearity growth of new PdII complexes induced by the electronic effect of selenium-containing ligands","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03710B","","","0.71073","MoKα","","0.0751","0.0416","","","0.0649","0.0732","","","","","","1.014","","","","has coordinates,has disorder","269143","2021-09-15","00:16:42",""
"7060953","12.8829","0.0013","14.2924","0.0015","16.5898","0.0017","72.297","0.004","70.672","0.003","67.031","0.004","2599.6","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H24 F12 N6 O0 P2 Pd3 Se2 -","- C30 H24 F12 N6 P2 Pd3 Se2 -","- C60 H48 F24 N12 P4 Pd6 Se4 -","2","1","","Cechin, Camila N.; Cabral, Bruno N.; Bublitz, Fabrício; Bortolotto, Tanize; da Silveira, Géssica D.; de Carvalho, Leandro M.; Cargnelutti, Roberta; Abram, Ulrich; Nakagaki, Shirley; Lang, Ernesto S.; Tirloni, Bárbara","Nuclearity growth of new PdII complexes induced by the electronic effect of selenium-containing ligands","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03710B","","","0.71073","MoKα","","0.0521","0.0341","","","0.0734","0.0811","","","","","","1.031","","","","has coordinates","269143","2021-09-15","00:16:43",""
"7060954","9.9197","0.0014","7.174","0.0007","16.673","0.002","90","","106.745","0.004","90","","1136.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 N10 O5 -","- C5 H10 N10 O5 -","- C20 H40 N40 O20 -","4","1","","Chen, Dongxu; Zhao, Jiangshan; Yang, Hongwei; Gu, Hao; Cheng, Guangbin","Introduction of the acylamino group to bridged bis(nitroamino-1,2,4-triazole): a strategy for tuning the sensitivity of energetic materials","New Journal of Chemistry","2021","45","38","18059","18064","10.1039/D1NJ03551G","","","0.71073","MoKα","","0.1204","0.0522","","","0.1031","0.1276","","","","","","1.045","","","","has coordinates,has disorder","269766","2021-10-06","16:06:16",""
"7060955","8.6112","0.0002","11.4714","0.0003","11.6361","0.0005","112.34","0.003","92.063","0.002","102.687","0.002","1028.08","0.06","94.98","0.1","94.98","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N5 O3 P -","- C21 H22 N5 O3 P -","- C42 H44 N10 O6 P2 -","2","1","","Gholivand, Khodayar; Babaee, Leila Sarmadi; Fallah, Nasrin; Faraghi, Mohammad; Dusek, Michal; Eigner, Vaclav","Synthesis, structural characterization and cytotoxicity of a new proton transfer compound based on 2,4-diamino-1,3,5-triazine: an experimental and computational study","New Journal of Chemistry","2021","45","42","19755","19763","10.1039/D1NJ03674B","","x-ray","1.54184","CuKα","","0.0316","0.0295","","","0.0902","0.0929","","","","1.68","1.68","1.65","","","","has coordinates","270473","2021-11-06","20:29:58",""
"7060956","31.654","0.005","20.851","0.003","15.488","0.002","90","","94.774","0.005","90","","10187","3","170","2","170","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C144 H136 N76 O56 S4 Zn2 -","- C144 H128 N76 O56 S4 Zn2 -","- C288 H256 N152 O112 S8 Zn4 -","2","0.25","","Guo, Jing; Shi, Lulu; Liu, Mei","Ultrastable cucurbit[6]uril-based multifunctional supramolecular assembly for efficient detection of nitroaromatic compounds and antibiotics","New Journal of Chemistry","2021","45","38","18221","18228","10.1039/D1NJ03509F","","","1.54178","CuKα","","0.1247","0.1128","","","0.2992","0.3096","","","","","","1.145","","","","has coordinates","269763","2021-10-06","16:04:53",""
"7060957","12.89","0.002","12.89","0.002","13.861","0.002","90","","90","","90","","2303","0.6","120","2","120","2","","","","","","","","5","I 4","I 4","79","","","","- C18 H18 Bi Br5 N2 -","- C18 H18 Bi Br5 N2 -","- C72 H72 Bi4 Br20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.71073","MoKα","","0.0313","0.0276","","","0.0641","0.0657","","","","","","1.053","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060958","9.3297","0.0002","8.3343","0.0002","16.1878","0.0003","90","","94.176","0.001","90","","1255.37","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I6 N2 -","- C18 H18 I6 N2 -","- C36 H36 I12 N4 -","2","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.71073","MoKα","","0.0235","0.021","","","0.0497","0.0506","","","","","","1.152","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060959","9.66","0.0019","11.24","0.002","12.28","0.002","100.32","0.03","90.33","0.03","113.41","0.03","1199.4","0.5","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H39 Bi I9 N3 -","- C39 H39 Bi I9 N3 -","- C39 H39 Bi I9 N3 -","1","1","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.79312","synchrotron","","0.0319","0.0316","","","0.0816","0.0819","","","","","","1.062","","","","has coordinates","270486","2021-11-06","20:32:11",""
"7060960","13.1552","0.0019","13.1552","0.0019","14.799","0.003","90","","90","","90","","2561.1","0.7","100","2","100","2","","","","","","","","5","I 4","I 4","79","","","","- C18 H18 Bi I5 N2 -","- C18 H18 Bi I5 N2 -","- C72 H72 Bi4 I20 N8 -","4","0.5","","Kotov, Vitalii Yu.; Buikin, Pert A.; Ilyukhin, Andrey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.","Synthesis and first-principles study of structural, electronic and optical properties of tetragonal hybrid halobismuthathes [Py2(XK)]2[Bi2Br10−xIx]","New Journal of Chemistry","2021","45","39","18349","18357","10.1039/D1NJ02390J","","","0.79312","synchrotron","","0.0369","0.0334","","","0.084","0.0856","","","","","","1.266","","","","has coordinates,has disorder","270486","2021-11-06","20:32:11",""
"7060961","8.1834","0.0006","10.3982","0.0007","14.0203","0.001","74.058","0.001","89.732","0.001","81.788","0.001","1134.63","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H40 Cd2 N9 O10 -","- C53 H34 Cd2 N9 O10 -","- C53 H34 Cd2 N9 O10 -","1","0.5","","Zhang, Feng-Feng; Han, You; Liang, Qian; Wu, Man; Wang, Xiao; Tang, Long; Yue, Er-Lin; Wang, Ji-Jiang; Fu, Feng; Hou, Xiang-Yang","Visible light-assisted photocatalytic degradation of methylene blue in water by highly chemically stable Cd-coordination polymers at room temperature","New Journal of Chemistry","2021","45","42","19660","19665","10.1039/D1NJ03958J","","","0.71073","MoKα","","0.0241","0.0229","","","0.0758","0.0769","","","","","","1.114","","","","has coordinates,has disorder","270474","2021-11-06","20:30:19",""
"7060962","10.3342","0.0016","11.9217","0.0019","12.426","0.0016","115.186","0.004","111.605","0.004","92.28","0.006","1252.4","0.3","135","2","135","2","","","","","","","","5","P -1","-P 1","2","","","","- C H N O S -","- C3.75 H3.375 N0.375 O0.25 S0.125 -","- C60 H54 N6 O4 S2 -","16","8","","Singh, Vedeshwar Narayan; Sharma, Sitaram","The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus","New Journal of Chemistry","2021","45","41","19347","19357","10.1039/D1NJ03566E","","","0.71073","MoKα","","0.0813","0.0772","","","0.2109","0.2199","","","","","","1.018","","","","has coordinates","270468","2021-11-06","20:29:08",""
"7060963","10.44","0.003","11.519","0.003","12.207","0.003","112.745","0.01","91.875","0.01","106.279","0.009","1282.9","0.6","232","2","232","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl N O S -","- C4.83333 H4 Cl0.166667 N0.5 O0.333333 S0.166667 -","- C58 H48 Cl2 N6 O4 S2 -","12","6","","Singh, Vedeshwar Narayan; Sharma, Sitaram","The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus","New Journal of Chemistry","2021","45","41","19347","19357","10.1039/D1NJ03566E","","","0.71073","MoKα","","0.0845","0.0741","","","0.2039","0.2147","","","","","","1.332","","","","has coordinates","270468","2021-11-06","20:29:08",""
"7060964","11.276","0.004","7.873","0.002","21.687","0.007","90","","100.141","0.005","90","","1895.2","1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe N2 -","- C24 H18 Fe N2 -","- C96 H72 Fe4 N8 -","4","1","","Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng","D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies","New Journal of Chemistry","2021","45","42","19917","19927","10.1039/D1NJ03894J","","","0.71073","MoKα","","0.0517","0.0435","","","0.1134","0.1196","","","","","","1.104","","","","has coordinates","270472","2021-11-06","20:29:52",""
"7060965","10.264","0.004","12.146","0.005","14.131","0.005","109.185","0.001","108.09","0.002","100.867","0.004","1496.5","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 Fe N5 -","- C39 H27 Fe N5 -","- C78 H54 Fe2 N10 -","2","1","","Yan, Jian-Feng; Men, Rui-Xi; Chen, Xiao-Xiao; Lin, Cai-Xia; Nockemann, Peter; Yuan, Yao-Feng","D–π–A type ferrocene-substituted azobenzene photochromic switches: synthesis, structures, and electrochemical and photoisomerization studies","New Journal of Chemistry","2021","45","42","19917","19927","10.1039/D1NJ03894J","","","0.71073","MoKα","","0.0476","0.0418","","","0.11","0.1142","","","","","","1.059","","","","has coordinates","270472","2021-11-06","20:29:53",""
"7060966","11.3916","0.00013","5.69116","0.00006","12.43561","0.00014","90","","102.195","0.0011","90","","788.027","0.015","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cu N2 O7 -","- C14 H22 Cu N2 O7 -","- C28 H44 Cu2 N4 O14 -","2","1","","Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua","How the magnetic field impacts the chiroptical activities of helical copper enantiomers","New Journal of Chemistry","2021","45","42","20021","20027","10.1039/D1NJ03803F","","","1.54184","CuKα","","0.0215","0.0214","","","0.0561","0.0561","","","","","","1.021","","","","has coordinates","270477","2021-11-06","20:30:43",""
"7060967","11.386","0.0002","5.6909","0.0001","12.4062","0.0002","90","","102.327","0.002","90","","785.35","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H22 Cu N2 O7 -","- C14 H22 Cu N2 O7 -","- C28 H44 Cu2 N4 O14 -","2","1","","Wu, Jialu; Li, Bo; Wang, Hong; Lai, Yingzhen; Ye, Yue; Zou, Yongkang; Tian, Jumei; Xu, Yaohua","How the magnetic field impacts the chiroptical activities of helical copper enantiomers","New Journal of Chemistry","2021","45","42","20021","20027","10.1039/D1NJ03803F","","","1.54184","CuKα","","0.0229","0.0227","","","0.0587","0.0591","","","","","","1.041","","","","has coordinates","270477","2021-11-06","20:30:43",""
"7060968","9.3506","0.0008","18.9562","0.0017","12.9324","0.0011","90","","99.673","0.009","90","","2259.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N5 O9 -","- C21 H27 N5 O9 -","- C84 H108 N20 O36 -","4","1","","Zhang, Yunan; Duan, Yu; Su, Jin; Liu, Lixin; Feng, Yanru; Wu, Lili; Zhang, Lei; Zhang, Yunjie; Zou, Dongyu; Liu, Yingli","Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions","New Journal of Chemistry","2021","45","42","19704","19713","10.1039/D1NJ03314J","","","0.71073","MoKα","","0.1444","0.0611","","","0.1204","0.1577","","","","","","1.01","","","","has coordinates","270482","2021-11-06","20:31:30",""
"7060969","8.0857","0.0007","12.8969","0.0012","15.2536","0.0013","106.133","0.008","103.719","0.007","96.363","0.007","1457.6","0.2","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O11 -","- C28 H33 N5 O11 -","- C56 H66 N10 O22 -","2","1","","Zhang, Yunan; Duan, Yu; Su, Jin; Liu, Lixin; Feng, Yanru; Wu, Lili; Zhang, Lei; Zhang, Yunjie; Zou, Dongyu; Liu, Yingli","Inspiration for revival of old drugs: improving solubility and avoiding hygroscopicity of pipemidic acid by forming two pharmaceutical salts based on charge-assisted hydrogen bond recognitions","New Journal of Chemistry","2021","45","42","19704","19713","10.1039/D1NJ03314J","","","0.71073","MoKα","","0.109","0.061","","","0.1135","0.1351","","","","","","1.028","","","","has coordinates","270482","2021-11-06","20:31:30",""
"7060970","8.576","0.003","17.76","0.006","15.79","0.006","90","","93.828","0.007","90","","2399.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O4 Zn -","- C20 H15 N3 O4 Zn -","- C80 H60 N12 O16 Zn4 -","4","1","","Kumar, Sandeep; Bhambri, Himanshi; Mandal, Sanjay K.","Conformational isomerism involving the carboxylate groups of a linker in metal organic frameworks and its distinctive influence on the detection of ketones","New Journal of Chemistry","2021","45","43","20219","20226","10.1039/D1NJ03865F","","x-ray","0.71073","MoKα","","0.1502","0.0649","","","0.1469","0.1848","","","","","","0.93","","","","has coordinates","271192","2021-12-07","03:39:43",""
"7060971","7.7989","0.0004","9.2736","0.0004","15.9266","0.0008","101.526","0.004","90.3","0.004","109.404","0.004","1061.34","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O -","- C29 H22 N2 O -","- C58 H44 N4 O2 -","2","1","","Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo","A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine","New Journal of Chemistry","2021","45","43","20173","20180","10.1039/D1NJ03642D","","x-ray","1.54184","CuKα","","0.0451","0.0415","","","0.1121","0.1164","","","","","","1.032","","","","has coordinates","271193","2021-12-07","03:39:49",""
"7060972","16.9114","0.0012","8.4024","0.0006","35.811","0.003","90","","90","","90","","5088.6","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C256 H176 N32 -","8","1","","Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo","A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine","New Journal of Chemistry","2021","45","43","20173","20180","10.1039/D1NJ03642D","","","0.71073","MoKα","","0.0995","0.0574","","","0.1348","0.1627","","","","","","1.037","","","","has coordinates","271193","2021-12-07","03:39:50",""
"7060973","23.419","0.002","13.5736","0.001","24.9877","0.0018","90","","90.902","0.003","90","","7942.1","1.1","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H76 O16 Si8 Sn2 -","- C80 H76 O16 Si8 Sn2 -","- C320 H304 O64 Si32 Sn8 -","4","0.5","","Loganathan, Pushparaj; Pillai, Renjith S.; Jeevananthan, Velusamy; David, Ezhumalai; Palanisami, Nallasamy; Bhuvanesh, Nattamai S. P.; Shanmugan, Swaminathan","Assembly of discrete and oligomeric structures of organotin double-decker silsesquioxanes: inherent stability studies","New Journal of Chemistry","2021","45","43","20144","20154","10.1039/D1NJ03128G","","x-ray","0.71073","MoKα","","0.0246","0.0228","","","0.0549","0.0564","","","","","","1.041","","","","has coordinates,has disorder","271191","2021-12-07","03:39:37",""
"7060974","11.0582","0.0012","13.6018","0.0011","14.649","0.002","115.77","0.007","102.852","0.007","101.735","0.005","1818","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 O7 Si4 Sn -","- C32 H38 O7 Si4 Sn -","- C64 H76 O14 Si8 Sn2 -","2","1","","Loganathan, Pushparaj; Pillai, Renjith S.; Jeevananthan, Velusamy; David, Ezhumalai; Palanisami, Nallasamy; Bhuvanesh, Nattamai S. P.; Shanmugan, Swaminathan","Assembly of discrete and oligomeric structures of organotin double-decker silsesquioxanes: inherent stability studies","New Journal of Chemistry","2021","45","43","20144","20154","10.1039/D1NJ03128G","","","0.71073","MoKα","","0.0666","0.046","","","0.1188","0.143","","","","","","1.017","","","","has coordinates","271191","2021-12-07","03:39:37",""
"7060975","6.4976","0.0005","8.4557","0.0007","12.4568","0.0011","79.643","0.004","82.09","0.004","79.56","0.003","658.19","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(2,4-Dichlorophenyl)-3-hydroxy-4H-chromen-4-one","","- C15 H8 Cl2 O3 -","- C15 H8 Cl2 O3 -","- C30 H16 Cl4 O6 -","2","1","","Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio","X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones","New Journal of Chemistry","2021","45","42","19928","19940","10.1039/D1NJ04340D","","","0.71073","MoKα","","0.0401","0.034","","","0.091","0.0966","","","","","","1.041","","","","has coordinates","270478","2021-11-06","20:30:49",""
"7060976","11.3596","0.0005","14.1923","0.0007","8.1555","0.0004","90","","93.993","0.002","90","","1311.63","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,3-Dichlorophenyl)-3-hydroxy-4H-chromen-4-one","","- C15 H8 Cl2 O3 -","- C15 H8 Cl2 O3 -","- C60 H32 Cl8 O12 -","4","1","","Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio","X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones","New Journal of Chemistry","2021","45","42","19928","19940","10.1039/D1NJ04340D","","","0.71073","MoKα","","0.0533","0.0408","","","0.1026","0.1107","","","","","","1.04","","","","has coordinates","270478","2021-11-06","20:30:50",""
"7060977","7.6464","0.0005","11.3272","0.0007","15.5325","0.001","90","","101.017","0.003","90","","1320.51","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2,6-Dichlorophenyl)-3-hydroxy-4H-chromen-4-one","","- C15 H8 Cl2 O3 -","- C15 H8 Cl2 O3 -","- C60 H32 Cl8 O12 -","4","1","","Ahmed, Muhammad Naeem; Ghias, Mehreen; Shah, Syed Wadood Ali; Shoaib, Mohammad; Tahir, Muhammad Nawaz; Ashfaq, Muhammad; Ibrahim, Mahmoud A. A.; Andleeb, Hina; Gil, Diego M.; Frontera, Antonio","X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones","New Journal of Chemistry","2021","45","42","19928","19940","10.1039/D1NJ04340D","","","0.71073","MoKα","","0.0511","0.0375","","","0.0968","0.1058","","","","","","1.048","","","","has coordinates","270478","2021-11-06","20:30:50",""
"7060978","10.1744","0.0003","9.3902","0.0002","46.7097","0.0014","90","","94.478","0.002","90","","4449","0.2","150.15","","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Cl Co N2 O2 P3 Si -","- C45 H57 Cl Co N2 O2 P3 Si -","- C180 H228 Cl4 Co4 N8 O8 P12 Si4 -","4","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.34143","GaKα","","0.0792","0.062","","","0.1556","0.1648","","","","","","1.081","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060979","21.426","0.0011","15.1726","0.0007","18.2179","0.0008","90","","90","","90","","5922.4","0.5","180","","180","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 Co I O2 P3 -","- C30 H34 Co I O2 P3 -","- C240 H272 Co8 I8 O16 P24 -","8","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","x-ray","1.34143","GaKα","","0.0618","0.0344","","","0.074","0.0793","","","","","","0.916","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060980","16.7134","0.0002","12.4172","0.0002","22.7388","0.0003","90","","90.776","0.001","90","","4718.63","0.11","172.99","0.1","172.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl Co N2 O3 P2 Si -","- C43 H48 Cl1.005 Co N2 O3 P2 Si -","- C172 H192 Cl4.02 Co4 N8 O12 P8 Si4 -","4","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.54184","CuKα","","0.063","0.049","","","0.1377","0.1554","","","","","","1.046","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060981","13.6916","0.0005","13.9509","0.0008","47.3618","0.0011","90","","90","","90","","9046.6","0.6","180","","180","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H59 Cl Co N2 O2 P3 Si -","- C46 H59 Cl Co N2 O2 P3 Si -","- C368 H472 Cl8 Co8 N16 O16 P24 Si8 -","8","1","","Li, Yonghui; Fan, Qingqing; Yang, Haiquan; Xie, Shangqing; Huang, Wei; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis and properties of [PCP] pincer silylene cobalt(i) complexes","New Journal of Chemistry","2021","45","42","19950","19956","10.1039/D1NJ02982G","","","1.34143","GaKα","","0.0488","0.0364","","","0.0963","0.1016","","","","","","1.05","","","","has coordinates","270476","2021-11-06","20:30:37",""
"7060982","10.0723","0.0006","13.1809","0.0009","10.5798","0.0008","90","","90.957","0.003","90","","1404.4","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 Cl3 N3 O2 -","- C13 H6 Cl3 N3 O2 -","- C52 H24 Cl12 N12 O8 -","4","1","","Dolai, Gobinda; Roy, Sayanta; Sen, Srijit; Giri, Rajat Subhra; Mandal, Bhubaneswar","Crystal structure of 1-(2,4,6-trichlorobenzoyloxy) benzotriazole (TCB-OBt): observation of uncommon intermolecular oxygen–oxygen interaction and synthetic application in amidation","New Journal of Chemistry","2021","45","42","19804","19811","10.1039/D1NJ04048K","","","0.71073","MoKα","","0.0434","0.0368","","","0.1227","0.1309","","","","","","0.968","","","","has coordinates","270475","2021-11-06","20:30:25",""
"7060983","14.7883","0.0011","5.8469","0.0005","16.4107","0.0016","90","","115.755","0.003","90","","1278","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(pyridin-2-yl)-3-(3-(trifluoromethyl)phenyl)urea","","- C13 H10 F3 N3 O -","- C13 H10 F3 N3 O -","- C52 H40 F12 N12 O4 -","4","1","","Laha, Joydev K.; Singh, Neha; Hunjan, Mandeep Kaur","Synthesis of unsymmetrical urea from aryl- or pyridyl carboxamides and aminopyridines using PhI(OAc)2via in situ formation of aryl- or pyridyl isocyanates","New Journal of Chemistry","2021","45","40","18815","18823","10.1039/D1NJ03160K","","","0.71073","MoKα","","0.1065","0.0864","","","0.2426","0.2591","","","","","","1.025","","","","has coordinates","270490","2021-11-06","20:32:52",""
"7060984","22.5327","0.0014","7.8741","0.0006","23.2252","0.0013","90","","105.655","0.002","90","","3967.9","0.5","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Br6 In N3 -","- C6 H24 Br6 In N3 -","- C48 H192 Br48 In8 N24 -","8","1","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Luo, Yan","(C2H5NH3)3[InBr6]: an indium(III) organic-inorganic hybrid phase transition compound exhibiting switchable dielectric response","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03814A","","","0.71073","MoKα","","0.049","0.0406","","","0.1028","0.1074","","","","","","1.043","","","","has coordinates","269416","2021-10-01","00:34:18",""
"7060985","22.548","0.01","8.033","0.004","11.737","0.005","90","","105.77","0.015","90","","2045.9","1.6","293","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H24 Br6 In N3 -","- C6 H24 Br6 In N3 -","- C24 H96 Br24 In4 N12 -","4","0.5","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Luo, Yan","(C2H5NH3)3[InBr6]: an indium(III) organic-inorganic hybrid phase transition compound exhibiting switchable dielectric response","New Journal of Chemistry","2021","","","","","10.1039/D1NJ03814A","","","0.71073","MoKα","","0.0745","0.0507","","","0.1313","0.1444","","","","","","1.071","","","","has coordinates,has disorder","269416","2021-10-01","00:34:18",""
"7060986","11.58","0.0001","14.7628","0.0001","19.9717","0.0001","90.102","0.001","100.59","0.001","99.645","0.001","3306.77","0.04","219.99","0.16","219.99","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C53 H52 Cl4.5 Dy2 N5 O24 Zn2 -","- C53 H52 Cl4.5 Dy2 N5 O24 Zn2 -","- C106 H104 Cl9 Dy4 N10 O48 Zn4 -","2","1","","Liu, Cai-Ming; Hao, Xiang","Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical","New Journal of Chemistry","2021","45","42","19868","19875","10.1039/D1NJ04299H","","x-ray","1.54184","CuKα","","0.0682","0.0611","","","0.1666","0.172","","","","","","1.024","","","","has coordinates,has disorder","270479","2021-11-06","20:31:00",""
"7060987","11.5601","0.0002","14.837","0.0003","20.0015","0.0005","89.624","0.002","80.033","0.002","79.843","0.002","3324.86","0.13","169.9","0.5","169.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2 -","- C53 H52 Br4 Cl0.5 Dy2 N5 O24 Zn2 -","- C106 H104 Br8 Cl Dy4 N10 O48 Zn4 -","2","1","","Liu, Cai-Ming; Hao, Xiang","Magnetic relaxation in two chain-like Zn2Dy2 Schiff base coordination polymers bridged by tetraoxolene and its one-electron reduced radical","New Journal of Chemistry","2021","45","42","19868","19875","10.1039/D1NJ04299H","","x-ray","0.71073","MoKα","","0.1646","0.0821","","","0.1518","0.1755","","","","","","1.018","","","","has coordinates,has disorder","270479","2021-11-06","20:31:02",""
"7060988","11.2795","0.0006","11.5534","0.0006","11.9252","0.0007","83.771","0.003","83.572","0.003","68.836","0.003","1436.23","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H27 Cl N3 O2 P Pd S -","- C31 H27 Cl N3 O2 P Pd S -","- C62 H54 Cl2 N6 O4 P2 Pd2 S2 -","2","1","","Arumugam, Shanmugapriya; Giriraj, Kalaiarasi; Manoharan, Ravi; Sparkes, Hazel Anne; Palaniappan, Kalaivani; Prabhakaran, Rathinasabapathi","Palladium mediated C-O bond activation of benzopyrone in 4-oxo-4H-chromone-3-carbaldehyde-4(N)-substituted thiosemicarbazone: Synthesis, structure, nucleic acid/albumin interaction, DNA cleavage, antioxidant and cytotoxic studies","New Journal of Chemistry","2021","","","","","10.1039/D1NJ04076F","","","0.71073","MoKα","","0.0363","0.027","","","0.0573","0.0604","","","","","","1.025","","","","has coordinates","269452","2021-10-03","00:38:33",""
"7060989","17.973","0.003","14.747","0.002","27.502","0.004","90","","97.637","0.003","90","","7224.7","1.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 La2 N10 O14 -","- C46 H46 La2 N10 O14 -","- C184 H184 La8 N40 O56 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.1297","0.0656","","","0.135","0.1478","","","","","","0.958","","","","has coordinates,has disorder","271190","2021-12-07","03:39:12",""
"7060990","17.4217","0.0014","14.681","0.0011","27.191","0.002","90","","106.684","0.002","90","","6661.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H49 N11 O14 Pr2 -","- C48.0006 H49 N11 O14 Pr2 -","- C192.002 H196 N44 O56 Pr8 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.0513","0.0414","","","0.1122","0.1174","","","","","","1.078","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060991","35.344","0.0016","20.8374","0.0014","21.395","0.0015","90","","100.671","0.003","90","","15484.4","1.7","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H131 Er5 N24 O33 -","- C124 H131 Er5 N24 O33 -","- C496 H524 Er20 N96 O132 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.0692","0.0545","","","0.1282","0.1303","","","","","","0.951","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060992","17.693","0.006","16.389","0.005","24.679","0.008","90","","107.611","0.005","90","","6821","4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H46 Eu2 N10 O15 -","- C45 H46 Eu2 N10 O15 -","- C180 H184 Eu8 N40 O60 -","4","1","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.1484","0.0895","","","0.2188","0.2422","","","","","","1.075","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060993","36.9338","0.0014","20.8248","0.0013","21.7478","0.0013","90","","101.087","0.003","90","","16414.9","1.6","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C214 H271 N43 O60 Tb10 -","- C214 H271 N43 O60 Tb10 -","- C428 H542 N86 O120 Tb20 -","2","0.5","","Chen, Changjuan; Zhang, Aijiang","Radii-dependent self-assembly polynuclear lanthanide complexes as catalysts for CO2 transformation into cyclic carbonates","New Journal of Chemistry","2021","45","43","20155","20163","10.1039/D1NJ03652A","","","0.71073","MoKα","","0.061","0.0442","","","0.0969","0.0984","","","","","","1.032","","","","has coordinates,has disorder","271190","2021-12-07","03:39:15",""
"7060994","7.8394","0.0001","12.4027","0.0005","12.7386","0.0006","74.717","0.004","83.855","0.002","89.388","0.002","1187.71","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 F2 N2 S2 -","- C28 H22 F2 N2 S2 -","- C56 H44 F4 N4 S4 -","2","1","","Maegawa, Rikuto; Kitagawa, Daichi; Hamatani, Shota; Kobatake, Seiya","Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity","New Journal of Chemistry","2021","45","40","18969","18975","10.1039/D1NJ04047B","","","0.7107","MoKα","","0.0411","0.0375","","","0.0929","0.0963","","","","","","1.047","","","","has coordinates","270489","2021-11-06","20:32:46",""
"7060995","9.0824","0.0005","19.6538","0.0009","15.242","0.0008","90","","99.908","0.002","90","","2680.2","0.2","150.15","","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 F2 N2 S2 -","- C30 H26 F2 N2 S2 -","- C120 H104 F8 N8 S8 -","4","1","","Maegawa, Rikuto; Kitagawa, Daichi; Hamatani, Shota; Kobatake, Seiya","Rational design of photochromic diarylbenzene with both high photoreactivity and fast thermal back reactivity","New Journal of Chemistry","2021","45","40","18969","18975","10.1039/D1NJ04047B","","","0.71075","MoKα","","0.0562","0.0485","","","0.1095","0.1152","","","","","","1.12","","","","has coordinates","270489","2021-11-06","20:32:47",""
"7060996","15.9625","0.0014","15.315","0.0013","8.0607","0.0007","90","","95.794","0.004","90","","1960.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br0.3 Cl0.7 Ir N3 -","- C21 H23 Br0.296 Cl0.704 Ir N3 -","- C84 H92 Br1.184 Cl2.816 Ir4 N12 -","4","1","","Li, Rong-Jian; Wang, Yang; Jin, Yan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian","NHC ligand-based half-sandwich iridium complexes: synthesis, structure and catalytic activity in acceptorless dehydrogenation and transfer hydrogenation","New Journal of Chemistry","2021","45","40","19002","19010","10.1039/D1NJ03824A","","","1.34138","GaKα","","0.0478","0.0342","","","0.0742","0.0801","","","","","","1.054","","","","has coordinates","270488","2021-11-06","20:32:40",""
"7060997","13.6569","0.0008","8.7972","0.0005","16.3348","0.001","90","","102.717","0.002","90","","1914.4","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl0.35 I0.65 Ir N2 -","- C20 H24 Cl0.35 I0.65 Ir N2 -","- C80 H96 Cl1.4 I2.6 Ir4 N8 -","4","1","","Li, Rong-Jian; Wang, Yang; Jin, Yan; Deng, Wei; Liu, Zhen-Jiang; Yao, Zi-Jian","NHC ligand-based half-sandwich iridium complexes: synthesis, structure and catalytic activity in acceptorless dehydrogenation and transfer hydrogenation","New Journal of Chemistry","2021","45","40","19002","19010","10.1039/D1NJ03824A","","","1.34138","GaKα","","0.0305","0.0255","","","0.0587","0.0611","","","","","","1.111","","","","has coordinates","270488","2021-11-06","20:32:40",""
"7060998","13.937","0.005","11.056","0.003","15.432","0.004","90","","94.595","0.01","90","","2370.2","1.2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 O5 -","- C29 H24 O5 -","- C116 H96 O20 -","4","1","","Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo","Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate","New Journal of Chemistry","2021","45","42","19666","19670","10.1039/D1NJ03772B","","","0.71073","MoKα","","0.1317","0.055","","","0.1106","0.1371","","","","","","1.017","","","","has coordinates","270481","2021-11-06","20:31:21",""
"7060999","9.642","0.0009","9.6811","0.001","14.0972","0.0013","83.296","0.003","76.282","0.003","66.624","0.003","1173.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Cl O5 -","- C28 H21 Cl O5 -","- C56 H42 Cl2 O10 -","2","1","","Xu, Feng-Shun; Yan, Chen; Sun, Jing; Yan, Chao-Guo","Efficient synthesis of tetra- and penta-substituted benzenes via a domino annulation reaction of a pyridinium ylide and chalcone o-enolate","New Journal of Chemistry","2021","45","42","19666","19670","10.1039/D1NJ03772B","","","0.71073","MoKα","","0.072","0.042","","","0.0903","0.1034","","","","","","1.014","","","","has coordinates,has disorder","270481","2021-11-06","20:31:24",""
"7061000","4.93","0.0015","15.558","0.005","14.566","0.005","90","","91.349","0.004","90","","1116.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs Li5 O12 S3 -","- Cs Li5 O12 S3 -","- Cs4 Li20 O48 S12 -","4","1","","Yan, Yuchen; Chen, Yanna; Jiang, Bao; Jing, Qun; Zhang, Jun","Li5Cs(SO4)3: a potential zero-order wave plate material with short deep-ultraviolet cutoff edge","New Journal of Chemistry","2021","45","42","19883","19888","10.1039/D1NJ03883D","","","0.71073","MoKα","","0.0585","0.0384","","","0.078","0.0864","","","","","","1.053","","","","has coordinates","270471","2021-11-06","20:29:44",""
"7061001","21.0546","0.0005","13.3289","0.0003","30.177","0.0007","90","","91.394","0.002","90","","8466.2","0.3","150","0.3","150","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 O4 P2 S4 Zn -","- C40 H52 O4 P2 S4 Zn -","- C320 H416 O32 P16 S32 Zn8 -","8","1","","Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.","Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand","New Journal of Chemistry","2021","45","41","19402","19415","10.1039/D1NJ03165A","","x-ray","0.71073","MoKα","","0.0977","0.0673","","","0.1733","0.2016","","","","","","1.019","","","","has coordinates","270467","2021-11-06","20:28:57",""
"7061002","12.083","0.003","13.084","0.003","16.602","0.003","70.284","0.018","88.794","0.017","62.94","0.03","2172.7","1.1","150.01","0.15","150","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C80 H104 Cd2 O8 P4 S8 -","- C80 H104 Cd2 O8 P4 S8 -","- C80 H104 Cd2 O8 P4 S8 -","1","0.5","","Kumar, Pretam; Frontera, Antonio; Pandey, Sushil K.","Coordination versus spodium bonds in dinuclear Zn(ii) and Cd(ii) complexes with a dithiophosphate ligand","New Journal of Chemistry","2021","45","41","19402","19415","10.1039/D1NJ03165A","","x-ray","0.71073","MoKα","","0.1708","0.1284","","","0.2987","0.3939","","","","","","1.134","","","","has coordinates","270467","2021-11-06","20:28:57",""
"7061003","10.7902","0.0003","12.9624","0.0004","17.946","0.0006","90","","90","","90","","2510.05","0.13","170","","170","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 K2 N8 O10 -","- C4 K2 N8 O10 -","- C32 K16 N64 O80 -","8","1","","Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun","Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives","New Journal of Chemistry","2021","45","43","20426","20431","10.1039/D1NJ04452D","","","0.71073","MoKα","","0.0403","0.0285","","","0.0627","0.0686","","","","","","1.057","","","","has coordinates","271189","2021-12-07","03:38:48",""
"7061004","11.266","0.006","6.3213","0.0019","19.213","0.007","90","","103.155","0.017","90","","1332.4","1","140","","140","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 K N8 O12 -","- C4 H5 K N8 O12 -","- C16 H20 K4 N32 O48 -","4","1","","Guo, Benyue; Zhang, Xiya; Lin, Xiangyang; Huang, Haifeng; Yang, Jun","Combining potassium with positive oxygen-balanced polynitropyrazole: a promising way to develop green primary explosives","New Journal of Chemistry","2021","45","43","20426","20431","10.1039/D1NJ04452D","","","0.71073","MoKα","","0.1183","0.0686","","","0.1131","0.1311","","","","","","1.075","","","","has coordinates","271189","2021-12-07","03:38:48",""
"7061005","9.37","0.02","21.01","0.04","13.22","0.03","90","","102.98","0.03","90","","2536","9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl(4-(2,4,5-triphenyl-1H-imidazol-1-yl)phenyl)methanone","","- C34 H24 N2 O -","- C34 H24 N2 O -","- C136 H96 N8 O4 -","4","1","","Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas","Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety","New Journal of Chemistry","2021","45","42","19746","19754","10.1039/D1NJ02149D","","","0.71075","MoKα","","","0.0877","","","","0.2388","","","","","","1.082","","","","has coordinates","270470","2021-11-06","20:29:39",""
"7061006","10.211","0.012","10.579","0.012","12.37","0.013","99.133","0.017","99.016","0.017","92.7263","0.001","1299","3","293","","293","","","","","","","","","4","P -1","-P 1","2","","phenyl(3-(2,4,5-triphenyl-1H-imidazol-1-yl)phenyl)methanone","","- C34 H24 N2 O -","- C34 H24 N2 O -","- C68 H48 N4 O2 -","2","1","","Grybauskaitė-Kaminskienė, Gintarė; Dudkaitė, Vygailė; Bagdžiūnas, Gintautas","Photophysical and semiconducting properties of isomeric triphenylimidazole derivatives with a benzophenone moiety","New Journal of Chemistry","2021","45","42","19746","19754","10.1039/D1NJ02149D","","","0.71075","MoKα","","","0.0589","","","","0.1772","","","","","","0.972","","","","has coordinates","270470","2021-11-06","20:29:39",""
"7061007","7.4297","0.0002","10.377","0.0003","10.9734","0.0004","66.911","0.003","74.016","0.003","87.852","0.002","745.79","0.05","169.97","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H36 Co2 Mo2 N8 O27 -","- C8 H36 Co2 Mo2 N8 O27 -","- C8 H36 Co2 Mo2 N8 O27 -","1","0.5","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","1.54184","CuKα","","0.0355","0.0343","","","0.0911","0.0919","","","","","","1.075","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061008","9.3392","0.0004","28.0114","0.0009","9.6973","0.0004","90","","102.988","0.004","90","","2471.95","0.17","169.98","0.1","169.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Co2 H31 Mo5 N7 O23 -","- Co2 H21 Mo5 N7 O23 -","- Co8 H84 Mo20 N28 O92 -","4","1","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","x-ray","1.54184","CuKα","","0.0673","0.0623","","","0.1458","0.1488","","","","","","1.078","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061009","16.6637","0.0003","16.6637","0.0003","23.1974","0.0006","90","","90","","90","","6441.4","0.2","298","","298","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C8 H60 Co4 Mo12 N16 O62 Si -","- C8 H60 Co4 Mo12 N16 O62 Si -","- C32 H240 Co16 Mo48 N64 O248 Si4 -","4","0.25","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","x-ray","0.71073","MoKα","","0.0411","0.0315","","","0.07","0.0746","","","","","","1.087","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061010","8.0975","0.0002","11.9126","0.0003","15.0744","0.0004","90","","100.603","0.002","90","","1429.28","0.06","150","0.2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Co Mo N4 Na O13 -","- C4 H16 Co Mo N4 Na O13 -","- C16 H64 Co4 Mo4 N16 Na4 O52 -","4","1","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","0.71073","MoKα","","0.0304","0.022","","","0.068","0.0691","","","","","","1.077","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061011","8.5102","0.0001","13.7353","0.0002","13.9551","0.0001","95.081","0.001","107.172","0.001","102.579","0.001","1500.51","0.03","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H68 Co4 Mo8 N16 O52 -","- C8 H68 Co4 Mo8 N16 O52 -","- C8 H68 Co4 Mo8 N16 O52 -","1","0.5","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","1.54184","CuKα","","0.0344","0.0326","","","0.0857","0.0868","","","","","","1.044","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061012","8.5113","0.0001","13.7625","0.0002","13.9561","0.0002","93.016","0.001","107.318","0.001","103.223","0.001","1506.42","0.04","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C8 H72 Co4 Mo8 N16 O54 -","- C8 H72 Co4 Mo8 N16 O54 -","- C8 H72 Co4 Mo8 N16 O54 -","1","0.5","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","x-ray","1.54184","CuKα","","0.0656","0.0613","","","0.171","0.1782","","","","","","1.067","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061013","12.8695","0.0004","17.6441","0.0005","25.3842","0.0007","103.533","0.002","101.392","0.002","106.284","0.002","5160.9","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H62 Co4 Mo3 N16 O43 -","- C14 H52 Co4 Mo3 N16 O43 -","- C56 H208 Co16 Mo12 N64 O172 -","4","2","","Kuzman, Dino; Damjanović, Vladimir; Stilinović, Vladimir; Cindrić, Marina; Vrdoljak, Višnja","The role of mono- and dicarboxylic acids in the building of oxomolybdates containing {MoO4}, {Mo2O5}, {Mo2O6}, {Mo3O8}, {Mo5O17}, {Mo5O18}, {Mo8O26}, and {SiMo12O40} units","New Journal of Chemistry","2021","45","42","19764","19774","10.1039/D1NJ03280A","","","0.71073","MoKα","","0.0927","0.0599","","","0.1512","0.1601","","","","","","1.026","","","","has coordinates","270480","2021-11-06","20:31:15",""
"7061014","14.4401","0.0014","14.7764","0.0013","13.9147","0.0012","90","","90.855","0.003","90","","2968.7","0.5","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Br8 N2 Sn -","- C16 H36 Br8 N2 Sn -","- C64 H144 Br32 N8 Sn4 -","4","0.5","","Liu, Yao; Li, Yu-Kong; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun-Zhi; Han, Ding-Chong; Du, Peng-kang; Zhang, Hao","Multisequential reversible phase transition materials with semiconducting and fluorescence properties: (C8H18BrN)2SnBr6","New Journal of Chemistry","2021","45","44","20721","20725","10.1039/D1NJ04448F","","","0.71073","MoKα","","0.1101","0.061","","","0.1101","0.1331","","","","","","1.031","","","","has coordinates,has disorder","271184","2021-12-07","03:37:47",""
"7061015","12.2787","0.0016","10.7136","0.0013","10.636","0.0014","90","","107.998","0.004","90","","1330.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br N O5 -","- C12 H16 Br N O5 -","- C48 H64 Br4 N4 O20 -","4","1","","Saha, Urmila; Mabhai, Subhabrata; Das, Bhriguram; Kumar, Gopinatha Suresh; Brandão, Paula; Dolai, Malay","Combined theoretical and experimental investigation of a DNA interactive poly-hydroxyl enamine tautomer exhibiting “turn on” sensing for Zn2+ in pseudo-aqueous medium","New Journal of Chemistry","2021","45","44","20806","20817","10.1039/D1NJ03510J","","","0.71073","MoKα","","0.0583","0.037","","","0.0717","0.0789","","","","","","1.02","","","","has coordinates","271183","2021-12-07","03:37:37",""
"7061016","11.8752","0.0005","12.2144","0.0004","13.2972","0.0006","97.241","0.003","99.345","0.004","90.658","0.003","1886.96","0.13","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Li4 O24 S4 -","- C28 H36 Li4 O24 S4 -","- C56 H72 Li8 O48 S8 -","2","1","","Pisareva, Anna V.; Shilov, Gennady V.; Karelin, Alexander I.; Pisarev, Rostislav V.; Bukun, Nadezhghda G.; Chernyak, Alexander V.; Aldoshin, Sergey M.; Dobrovolsky, Yury A.","Structure and ionic conductivity of the octahydrate of tetralithium salt of calix[4]arenesulfonic acid","New Journal of Chemistry","2021","45","45","21100","21107","10.1039/D1NJ04057J","","","0.7107","MoKα","","0.0552","0.0407","","","0.0949","0.1017","","","","","","1.029","","","","has coordinates","271203","2021-12-07","03:42:11",""
"7061017","9.6415","0.0007","9.7108","0.0008","11.1357","0.0009","90","","97.262","0.001","90","","1034.24","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0962","0.0619","","","0.1572","0.1804","","","","","","1.034","","","","has coordinates","271187","2021-12-07","03:38:19",""
"7061018","9.5094","0.0005","18.3294","0.0009","12.3185","0.0006","90","","96.75","0.001","90","","2132.25","0.19","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","2","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.063","0.0447","","","0.1055","0.1155","","","","","","1.013","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061019","9.0522","0.0005","13.559","0.0007","16.6684","0.0009","90","","90","","90","","2045.86","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F N O3 -","- C23 H24 F N O3 -","- C92 H96 F4 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0943","0.1007","","","","","","1.03","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061020","9.1174","0.0007","13.0496","0.0011","16.4573","0.0013","90","","97.831","0.002","90","","1939.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.1205","0.0575","","","0.1175","0.1393","","","","","","1.015","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061021","13.0861","0.0007","9.8938","0.0005","16.1156","0.0008","90","","94.928","0.001","90","","2078.79","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0716","0.0491","","","0.1303","0.145","","","","","","1.028","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061022","14.4126","0.0002","20.6834","0.0004","16.477","0.0003","90","","104.14","0.002","90","","4763","0.15","200","0.1","200","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C93 H77 Cd2 N7 O11 -","- C93 H77 Cd2 N7 O11 -","- C186 H154 Cd4 N14 O22 -","2","0.5","","Asad, Muhammad; Wang, Shan; Wang, Qian-You; Li, Lin-Ke; Anwar, Muhammad Imran; Younas, Ayesha; Zang, Shuang-Quan","Aqueous media ultra-sensitive detection of antibiotics via highly stable luminescent 3D Cadmium-based MOF","New Journal of Chemistry","2021","45","44","20887","20894","10.1039/D1NJ04413C","","x-ray","1.54184","CuKα","","0.0798","0.0574","","","0.1524","0.1627","","","","","","1.05","","","","has coordinates","271186","2021-12-07","03:38:09",""
"7061023","10.9144","0.0005","8.5835","0.0004","15.515","0.0006","90","","101.152","0.002","90","","1426.06","0.11","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel","Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen","New Journal of Chemistry","2021","45","47","22053","22061","10.1039/D1NJ04639J","","","1.54178","CuKα","","0.0524","0.0494","","","0.1347","0.1378","","","","","","1.029","","","","has coordinates","271861","2022-01-06","21:47:19",""
"7061024","16.6291","0.0018","7.1628","0.0008","10.9025","0.0011","90","","92.168","0.004","90","","1297.7","0.2","293.15","","293.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Massanet, Bárbara; Frontera, Antonio; Barceló-Oliver, Miquel","Modified-amino acid/peptide pyrimidine analogs: synthesis, structural characterization and DFT studies of N-(pyrimidyl)gabapentine and N-(pyrimidyl)baclofen","New Journal of Chemistry","2021","45","47","22053","22061","10.1039/D1NJ04639J","","","1.54178","CuKα","","0.0635","0.0629","","","0.1496","0.1505","","","","","","1.109","","","","has coordinates","271861","2022-01-06","21:47:20",""
"7061025","6.013","0.0004","21.3814","0.0014","10.2099","0.0006","90","","104.132","0.003","90","","1272.92","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 Br4 N6 Pb -","- C3 H8 Br4 N6 Pb -","- C12 H32 Br16 N24 Pb4 -","4","1","","Msalmi, Rawia; Elleuch, Slim; Hamdi, Besma; Radicchi, Eros; Tozri, Anowar; Naïli, Houcine; Berber, Mohamed R.","Tunable broad-band white-light emission in two-dimensional (110)-oriented lead bromide perovskite (C3H8N6)[PbBr4]: optical, electronic and luminescence properties","New Journal of Chemistry","2021","45","44","20850","20859","10.1039/D1NJ03838A","","","0.71073","MoKα","","0.096","0.0561","","","0.1333","0.1569","","","","","","0.992","","","","has coordinates","271188","2021-12-07","03:38:25",""
"7061026","13.7368","0.0005","17.5335","0.0007","31.0162","0.0012","90","","90","","90","","7470.4","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Dy N13 O5 S3 -","- C26 H20 Dy N13 O3 S3 -","- C208 H160 Dy8 N104 O24 S24 -","8","1","","Chen, Peiqiong; Sun, Xiao; Guo, Xuefeng; Liu, Dan; Liu, Hou-Ting; Lu, Jing; Tian, Haiquan","A quasilinear hydrazone-based mononuclear dysprosium compound with C4v symmetry exhibiting field-induced complex magnetic relaxation","New Journal of Chemistry","2021","45","46","21708","21715","10.1039/D1NJ04620A","","","0.71073","MoKα","","0.0594","0.0349","","","0.0993","0.1397","","","","","","0.626","","","","has coordinates","271194","2021-12-07","03:40:19",""
"7061027","11.1894","0.0003","7.3513","0.0001","13.8269","0.0003","90","","111.428","0.003","90","","1058.74","0.04","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Mn0.5 N3 O S2 -","- C12 H24 Mn N6 O2 S4 -","- C24 H48 Mn2 N12 O4 S8 -","2","0.5","","Huang, Yao; Zhang, Tie; Chu, Lu-Lu; Zhang, Yi; Ge, Jia-Zhen; Fu, Da-Wei","A hybrid hydrochromic molecular crystal applicable to invisible ink with high reversibility","New Journal of Chemistry","2021","45","45","21006","21010","10.1039/D1NJ04470B","","x-ray","0.71073","MoKα","","0.0403","0.0359","","","0.1034","0.1075","","","","","","1.0355","","","","has coordinates","271201","2021-12-07","03:41:57",""
"7061028","12.9973","0.001","19.3514","0.0014","19.6063","0.0015","113.984","0.005","94.612","0.004","91.666","0.004","4480.6","0.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H60 N4 O4 -","- C51 H60 N4 O4 -","- C204 H240 N16 O16 -","4","2","","Martell, Mark; Ocheje, Michael U.; Gelfand, Benjamin S.; Rondeau-Gagné, Simon; Welch, Gregory C.","Sidechain engineering of N-annulated perylene diimide molecules","New Journal of Chemistry","2021","45","45","21001","21005","10.1039/D1NJ04423K","","x-ray","1.54178","CuKα","","0.1797","0.1162","","","0.212","0.2345","","","","","","0.942","","","","has coordinates,has disorder","271202","2021-12-07","03:42:06",""
"7061029","13.6654","0.0002","14.8503","0.0002","20.1186","0.0003","90","","92.85","0.001","90","","4077.72","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 N4 S8 -","- C44 H32 N4 S8 -","- C176 H128 N16 S32 -","4","1","","Dekhtiarenko, Maksym; Allain, Magali; Carré, Vincent; Aubriet, Frédéric; Voitenko, Zoia; Sallé, Marc; Goeb, Sébastien","Comparing the self-assembly processes of two redox-active exTTF-based regioisomer ligands","New Journal of Chemistry","2021","45","45","21015","21019","10.1039/D1NJ04555E","","","1.54184","CuKα","","0.0538","0.049","","","0.1314","0.1359","","","","","","1.035","","","","has coordinates","271204","2021-12-07","03:42:19",""
"7061030","9.4631","0.0002","13.7164","0.0003","15.5325","0.0003","91.745","0.002","97.906","0.002","105.7","0.002","1917.6","0.07","293","2","293","2","","","","","","","Rostov-on-Don, Russia","7","P -1","-P 1","2","","","","- C36 H27 Cl Cu F12 N2 O6 -","- C36 H27 Cl Cu F12 N2 O6 -","- C72 H54 Cl2 Cu2 F24 N4 O12 -","2","1","","Korchagin, D. V.; Ivakhnenko, E. P.; Demidov, O. P.; Akimov, A. V.; Morgunov, R. B.; Starikov, A. G.; Palii, A. V.; Minkin, V. I.; Aldoshin, S. M.","Field supported slow magnetic relaxation in a quasi-one-dimensional copper(ii) complex with a pentaheterocyclic triphenodioxazine","New Journal of Chemistry","2021","45","46","21912","21918","10.1039/D1NJ03217H","","x-ray","1.54184","CuKα","","0.0621","0.0467","","","0.1263","0.1404","","","","","","1.026","","","","has coordinates,has disorder","271196","2021-12-07","03:40:44",""
"7061031","6.963","0.002","8.591","0.001","10.532","0.002","105.2","0.02","97.89","0.02","109.8","0.02","554","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Mn N8 O10 -","- C16 H14 Mn N8 O10 -","- C16 H14 Mn N8 O10 -","1","0.5","","Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.","Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion","New Journal of Chemistry","2021","45","46","21684","21691","10.1039/D1NJ01225H","","","1.54184","CuKα","","0.0506","0.0389","","","0.0985","0.1053","","","","","","1.076","","","","has coordinates","271195","2021-12-07","03:40:39",""
"7061032","7.054","0.0006","7.9485","0.0006","9.4149","0.0007","90.829","0.006","110.004","0.006","93.622","0.006","494.68","0.07","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","- C16 H10 N8 O8 Zn -","1","0.5","","Gurskiy, Stanislav I.; Maklakov, Sergey S.; Dmitrieva, Natalia E.; Tafeenko, Viktor A.","Effects of transition metal cations and temperature on the luminescence of a 3-cyano-4-dicyanomethylene-5-oxo-4,5-dihydro-1H-pyrrole-2-olate anion","New Journal of Chemistry","2021","45","46","21684","21691","10.1039/D1NJ01225H","","","0.71073","MoKα","","0.172","0.0764","","","0.1875","0.2706","","","","","","0.963","","","","has coordinates","271195","2021-12-07","03:40:39",""
"7061033","9.0953","0.0008","11.3783","0.001","13.6591","0.0012","110.681","0.003","93.121","0.003","92.453","0.003","1317.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H38 Eu2 F8 O18 -","- C56 H38 Eu2 F8 O18 -","- C56 H38 Eu2 F8 O18 -","1","0.5","","Tubau, Ànnia; Rodríguez, Laura; Lázaro, Ariadna; Vicente, Ramon; Font-Bardía, Mercè","Improving the emission quantum yield in dinuclear Eu(iii) and Tb(iii) complexes with 2-fluorobenzoate","New Journal of Chemistry","2021","45","47","22208","22215","10.1039/D1NJ04335H","","","0.71073","MoKα","","0.0237","0.0199","","","0.044","0.0467","","","","","","1.104","","","","has coordinates","271854","2022-01-06","21:46:10",""
"7061034","13.252","0.002","4.7966","0.0008","17.536","0.003","90","","105.273","0.005","90","","1075.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 N12 O2 -","- C5 H4 N12 O2 -","- C20 H16 N48 O8 -","4","1","","Lang, Qing; Wang, Qian; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","C5H2N14O6: achieving azido-based materials with zero oxygen balance and good energetic performance","New Journal of Chemistry","2021","45","44","20542","20546","10.1039/D1NJ04188F","","","0.71073","MoKα","","0.0789","0.0407","","","0.0884","0.1007","","","","","","1.013","","","","has coordinates","271185","2021-12-07","03:37:52",""
"7061035","9.7238","0.0009","6.6508","0.0006","20.1429","0.0018","90","","92.855","0.004","90","","1301","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 N14 O6 -","- C5 H2 N14 O6 -","- C20 H8 N56 O24 -","4","1","","Lang, Qing; Wang, Qian; Lin, Qiuhan; Xu, Yuangang; Lu, Ming","C5H2N14O6: achieving azido-based materials with zero oxygen balance and good energetic performance","New Journal of Chemistry","2021","45","44","20542","20546","10.1039/D1NJ04188F","","","0.71073","MoKα","","0.0872","0.048","","","0.098","0.1121","","","","","","1.034","","","","has coordinates","271185","2021-12-07","03:37:53",""
"7061036","9.253","0.0004","12.484","0.0006","21.9892","0.0009","90","","93.781","0.003","90","","2534.54","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl2 N3 Pd -","- C27 H27 Cl2 N3 Pd -","- C108 H108 Cl8 N12 Pd4 -","4","1","","Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gürbüz, N.; Özdemir, I.","N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C–H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities","New Journal of Chemistry","2021","45","45","21248","21262","10.1039/D1NJ04606C","","","0.71073","MoKα","","0.0721","0.0367","","","0.0748","0.0826","","","","","","0.882","","","","has coordinates,has disorder","271199","2021-12-07","03:41:43",""
"7061037","9.52763","0.0001","22.8402","0.0002","12.17728","0.00014","90","","95.6178","0.001","90","","2637.21","0.05","100","","100","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","(2'R,4'S,5'S)-1''-benzyl-4'-phenyl-5'-(trifluoromethyl)dispiro[indene-2,3'-pyrrolidine-2',3''-indoline]-1,2'',3-trione","5a","","- C33 H23 F3 N2 O3 -","- C33 H23 F3 N2 O3 -","- C132 H92 F12 N8 O12 -","4","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.0489","0.0456","","0.1231","0.1176","0.1231","","","","","","0.9972","","","","has coordinates","271855","2022-01-06","21:46:22",""
"7061038","11.6334","0.0006","6.6182","0.0004","16.7064","0.0009","90","","91.462","0.005","90","","1285.84","0.12","150","","150","","","","100","","","","","5","P 1 21 1","P 2yb","4","(3R,4'S,5'S)-1-benzyl-4'-(naphthalen-2-yl)-2-oxo-5'-(trifluoromethyl)spiro[indoline-3,2'-pyrrolidine]-3',3'-dicarbonitrile","3d","","- C31 H21 F3 N4 O -","- C31 H21 F3 N4 O -","- C62 H42 F6 N8 O2 -","2","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.116","0.1081","","0.3538","0.3428","0.3538","","","","","","1.6196","","","","has coordinates,has disorder","271855","2022-01-06","21:46:22",""
"7061039","11.8475","0.00001","13.5471","0.00001","15.2567","0.000014","90","","90","","90","","2448.69","0.004","100","","100","","","","100","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","(-)-3l (major)","ethyl (3R,3'S,4'S,5'S)-1-benzyl-3'-cyano-2-oxo-4'-phenyl-5'-(trifluoromethyl)spiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C29 H24 F3 N3 O3 -","- C29 H24 F3 N3 O3 -","- C116 H96 F12 N12 O12 -","4","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.0258","0.0255","","0.0642","0.0639","0.0642","","","","","","0.936","","","","has coordinates","271855","2022-01-06","21:46:22",""
"7061040","8.9131","0.0004","11.8184","0.0004","21.8914","0.0009","91.003","0.003","95.825","0.004","106.344","0.004","2198.83","0.16","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 S -","- C26 H24 N4 S -","- C104 H96 N16 S4 -","4","2","","Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab","Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission","New Journal of Chemistry","2021","45","45","21236","21247","10.1039/D1NJ04190H","","x-ray","1.54184","CuKα","","0.0738","0.0671","","","0.1872","0.1933","","","","","","1.061","","","","has coordinates,has disorder","271198","2021-12-07","03:41:27",""
"7061041","17.0172","0.0003","14.7978","0.0003","8.29705","0.00016","90","","98.9384","0.0018","90","","2063.97","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 -","- C26 H18 N4 -","- C104 H72 N16 -","4","1","","Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab","Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission","New Journal of Chemistry","2021","45","45","21236","21247","10.1039/D1NJ04190H","","x-ray","1.54184","CuKα","","0.0841","0.067","","","0.1902","0.2056","","","","","","1.059","","","","has coordinates","271198","2021-12-07","03:41:38",""
"7061042","10.142","0.0005","9.8864","0.0006","21.3253","0.0012","90","","97.274","0.005","90","","2121","0.2","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","MTPADCA","","","- C27 H20 N4 -","- C27 H20 N4 -","- C108 H80 N16 -","4","1","","Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab","Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission","New Journal of Chemistry","2021","45","45","21236","21247","10.1039/D1NJ04190H","","x-ray","0.71073","MoKα","","0.0733","0.0502","","","0.1284","0.1438","","","","","","1.035","","","","has coordinates","271198","2021-12-07","03:41:38",""
"7061043","42.8295","0.0013","9.8166","0.0003","19.5245","0.0006","90","","95.51","0.002","90","","8171","0.4","192.99","","192.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H38 N4 -","- C55 H38 N4 -","- C440 H304 N32 -","8","2","","Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives","New Journal of Chemistry","2021","45","45","21327","21333","10.1039/D1NJ04428A","","","0.71073","MoKα","","0.1652","0.0705","","","0.1772","0.2333","","","","","","0.95","","","","has coordinates,has disorder","271200","2021-12-07","03:41:52",""
"7061044","12.057","","12.616","","16.803","","70.51","","86.9","","64.39","","2160.51","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H38 Cl2 N4 -","- C56 H38 Cl2 N4 -","- C112 H76 Cl4 N8 -","2","1","","Guo, Shengmei; Zhang, Gaobin; Chen, Fangjie; Ni, Yingyong; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","Multi-stimuli responsive properties and structure–property studies of tetraphenylethylene functionalized arylimidazole derivatives","New Journal of Chemistry","2021","45","45","21327","21333","10.1039/D1NJ04428A","","","1.54186","CuKα","","0.0509","0.0483","","","0.1408","0.1451","","","","","","1.061","","","","has coordinates","271200","2021-12-07","03:41:52",""
"7061045","10.629","0.004","12.451","0.004","15.252","0.005","68.755","0.018","77.07","0.02","74.08","0.02","1791.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C34.3 H41.56 N3.65 O11 Ru -","- C34.302 H41.557 N3.651 O11 Ru -","- C68.604 H83.114 N7.302 O22 Ru2 -","2","1","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.0668","0.049","","","0.1146","0.1229","","","","","","0.986","","","","has coordinates,has disorder","270327","2021-11-05","22:51:37",""
"7061046","10.696","0.002","22.632","0.005","11.846","0.003","90","","102.617","0.003","90","","2798.3","1.1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N4 O8 Ru -","- C28 H30 N4 O8 Ru -","- C112 H120 N16 O32 Ru4 -","4","1","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.0431","0.0344","","","0.0865","0.0905","","","","","","1.026","","","","has coordinates","270327","2021-11-05","22:51:38",""
"7061047","12.906","0.008","13.325","0.008","14.696","0.008","78.66","0.03","73.19","0.03","84.04","0.03","2369","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 N3 O11 P Ru -","- C51 H52 N3 O11 P Ru -","- C102 H104 N6 O22 P2 Ru2 -","2","1","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.0784","0.0573","","","0.1374","0.1454","","","","","","0.896","","","","has coordinates","270327","2021-11-05","22:51:38",""
"7061048","12.256","0.003","20.547","0.004","23.363","0.005","99.334","0.003","99.324","0.004","98.5572","0.0016","5635","2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H71 Cl4 N3 O16 P2 Ru -","- C46 H71 Cl4 N3 O16 P2 Ru -","- C184 H284 Cl16 N12 O64 P8 Ru4 -","4","2","","Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu","Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation","New Journal of Chemistry","2021","45","39","18282","18289","10.1039/D0NJ06133F","","","0.71075","MoKα","","0.1011","0.0761","","","0.1874","0.2095","","","","","","1.065","","","","has coordinates,has disorder","270327","2021-11-05","22:51:38",""
"7061049","14.008","0.015","23.22","0.02","16.11","0.017","90","","99.568","0.015","90","","5167","9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H59 Cl2 N11 O12 Zn2 -","- C46 H59 Cl2 N11 O12 Zn2 -","- C184 H236 Cl8 N44 O48 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.1432","0.078","","","0.2322","0.2721","","","","","","1.046","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061050","14.2217","0.0007","22.1402","0.0012","15.7926","0.0008","90","","98.363","0.002","90","","4919.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H54 B2 F8 N10 O S Zn2 -","- C45 H54 B2 F8 N10 O S Zn2 -","- C180 H216 B8 F32 N40 O4 S4 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0873","0.0746","","","0.2048","0.2152","","","","","","1.056","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061051","13.9245","0.0012","22.212","0.002","15.4664","0.0015","90","","95.075","0.003","90","","4764.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 B2 F8 N10 O3 Zn2 -","- C45 H52 B2 F8 N10 O3 Zn2 -","- C180 H208 B8 F32 N40 O12 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0905","0.0784","","","0.1912","0.2","","","","","","1.06","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061052","14.0208","0.0003","22.8093","0.0006","15.7151","0.0004","90","","95.988","0.001","90","","4998.3","0.2","145","2","145.35","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Cl2 N10 O11 S Zn2 -","- C46 H54 Cl2 N10 O11 S Zn2 -","- C184 H216 Cl8 N40 O44 S4 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0804","0.0712","","","0.1912","0.1974","","","","","","1.076","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061053","13.2634","0.0016","13.5038","0.0016","19.653","0.003","99.629","0.004","101.399","0.004","115.316","0.004","2990.6","0.7","148","2","148.07","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H68 Cl2 N12 O12 S Zn2 -","- C53 H61 Cl2 N11 O11 S Zn2 -","- C106 H122 Cl4 N22 O22 S2 Zn4 -","2","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0643","0.055","","","0.1402","0.147","","","","","","1.093","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061054","28.8019","0.0006","15.1522","0.0003","29.4177","0.0006","90","","111.435","0.001","90","","11950.3","0.4","146","2","146","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H68 B2 F8 N12 O5 S Zn2 -","- C56 H68 B2 F8 N12 O5 S Zn2 -","- C448 H544 B16 F64 N96 O40 S8 Zn16 -","8","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0898","0.0811","","","0.211","0.2181","","","","","","1.04","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061055","13.9848","0.0004","23.1682","0.0007","16.0316","0.0005","90","","98.549","0.001","90","","5136.6","0.3","146","2","146","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cl2 N10 O11 Zn2 -","- C50 H54 Cl2 N10 O11 Zn2 -","- C200 H216 Cl8 N40 O44 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0961","0.0821","","","0.1885","0.1955","","","","","","1.111","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061056","14.0295","0.0005","23.0096","0.0008","15.9146","0.0006","90","","96.565","0.001","90","","5103.8","0.3","148.52","","148.52","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H52 Cl2 N10 O10 S Zn2 -","- C45 H52 Cl2 N10 O10 S Zn2 -","- C180 H208 Cl8 N40 O40 S4 Zn8 -","4","1","","Naskar, Tilak; Pal, Nabhendu; Majumdar, Amit","Synthesis and redox reactions of binuclear zinc(ii)–thiolate complexes with elemental sulfur","New Journal of Chemistry","2021","45","47","22406","22416","10.1039/D1NJ03012D","","x-ray","0.71073","MoKα","","0.0963","0.0855","","","0.2063","0.2128","","","","","","1.095","","","","has coordinates,has disorder","271859","2022-01-06","21:47:08",""
"7061057","11.5599","0.0002","8.4029","0.0002","13.1796","0.0004","90","","98.316","0.001","90","","1266.76","0.05","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H13 N6 O11 Zn -","- C2 H13 N6 O11 Zn -","- C8 H52 N24 O44 Zn4 -","4","1","","Gong, Lishan; Chen, Guo; Liu, Yue; Wang, Tingwei; Zhang, Jianguo; Yi, Xiaoyi; He, Piao","Energetic metal–organic frameworks achieved from furazan and triazole ligands: synthesis, crystal structure, thermal stability and energetic performance","New Journal of Chemistry","2021","45","47","22299","22305","10.1039/D1NJ04486A","","","0.71073","MoKα","","0.0256","0.0231","","","0.0619","0.0634","","","","","","1.086","","","","has coordinates,has disorder","271860","2022-01-06","21:47:13",""
"7061058","12.7807","0.0003","9.5182","0.0003","17.9186","0.0004","90","","107.452","0.002","90","","2079.45","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 Cl2 Co3 N2 O14 -","- C34 H38 Cl2 Co3 N2 O14 -","- C68 H76 Cl4 Co6 N4 O28 -","2","0.5","","Ma, Zhen-Zhen; Ma, Yao; Liu, Bing; Xu, Ling; Jiao, Huan","A high-performance Co-MOF non-enzymatic electrochemical sensor for glucose detection","New Journal of Chemistry","2021","45","45","21350","21358","10.1039/D1NJ04480J","","","1.54178","CuKα","","0.0816","0.0659","","","0.1659","0.1809","","","","","","1.054","","","","has coordinates,has disorder","271197","2021-12-07","03:41:17",""
"7061059","32.8455","0.0002","9.7087","0.0001","18.4035","0.0001","90","","93.606","0.001","90","","5857.02","0.08","179.99","0.1","179.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Co3 N6 O20 -","- C48 H60 Co3 N6 O20 -","- C192 H240 Co12 N24 O80 -","4","0.5","","Ma, Zhen-Zhen; Ma, Yao; Liu, Bing; Xu, Ling; Jiao, Huan","A high-performance Co-MOF non-enzymatic electrochemical sensor for glucose detection","New Journal of Chemistry","2021","45","45","21350","21358","10.1039/D1NJ04480J","","","0.71073","MoKα","","0.0834","0.0805","","","0.2371","0.2399","","","","","","1.1","","","","has coordinates","271197","2021-12-07","03:41:17",""
"7061060","10.0708","0.0007","11.9149","0.0008","15.6475","0.0011","90","","90","","90","","1877.6","0.2","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Mn N4 O3 P S2 -","- C16 H16 Mn N4 O3 P S2 -","- C64 H64 Mn4 N16 O12 P4 S8 -","4","1","","Kaim, Vishakha; Kaur-Ghumaan, Sandeep","Mononuclear Mn complexes featuring N,S-/N,N-donor and 1,3,5-triaza-7-phosphaadamantane ligands: synthesis and electrocatalytic properties","New Journal of Chemistry","2021","45","43","20272","20279","10.1039/D1NJ02104D","","x-ray","0.71073","MoKα","","0.0536","0.0503","","","0.1255","0.1276","","","","","","1.08","","","","has coordinates","270557","2021-11-10","01:41:01",""
"7061061","13.734","0.006","12.91","0.006","12.794","0.006","90","","105.017","0.009","90","","2191","1.7","103","2","103","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C19.33 H17 B0.33 -","- C19.3333 H17 B0.333333 -","- C116 H102 B2 -","6","1.5","","Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole","New Journal of Chemistry","2021","45","48","22569","22573","10.1039/D1NJ04666G","","","0.71075","MoKα","","0.1622","0.0722","","","0.1418","0.1752","","","","","","0.935","","","","has coordinates","271863","2022-01-06","21:47:41",""
"7061062","13.652","0.0009","12.8989","0.0006","12.7196","0.0007","90","","106.517","0.007","90","","2147.4","0.2","93","2","93","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C55 H52 B -","- C52 H45 B -","- C104 H90 B2 -","2","0.5","","Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole","New Journal of Chemistry","2021","45","48","22569","22573","10.1039/D1NJ04666G","","","0.71075","MoKα","","0.1264","0.0796","","","0.1786","0.206","","","","","","1.075","","","","has coordinates","271863","2022-01-06","21:47:45",""
"7061063","10.887","0.0005","11.6042","0.0005","32.5768","0.0014","90","","92.69","0.007","90","","4111.1","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C55 H52 B -","- C55 H52 B -","- C220 H208 B4 -","4","1","","Himeno, Ryoji; Ito, Shunichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis, crystal structure, solid-state optical property and C–H activation of sp3 carbon of highly-stable 1-(2′,6′-dimesitylphenyl)-2,3,4,5-tetraphenylborole","New Journal of Chemistry","2021","45","48","22569","22573","10.1039/D1NJ04666G","","","0.71075","MoKα","","0.0852","0.0533","","","0.1143","0.127","","","","","","1.012","","","","has coordinates","271863","2022-01-06","21:47:45",""
"7061064","10.5282","0.0006","12.3363","0.0006","13.9052","0.0009","100.973","0.002","108.398","0.002","103.231","0.002","1599.37","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H21 N5 O5 Zn -","- C33 H21 N5 O5 Zn -","- C66 H42 N10 O10 Zn2 -","2","1","","Li, Jing; Wu, Lin-Hui; Yao, Shu-Li; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A multi-responsive MOF-based fluorescent probe for detecting Fe3+, Cr2O72− and acetylacetone","New Journal of Chemistry","2021","45","48","22915","22923","10.1039/D1NJ04628D","","","0.71073","MoKα","","0.1155","0.0581","","","0.1129","0.1314","","","","","","1","","","","has coordinates","271864","2022-01-06","21:47:50",""
"7061066","5.4902","0.0004","14.2399","0.0008","23.1491","0.0014","90","","104.323","0.006","90","","1753.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C80 H68 Cl8 N4 O4 -","4","1","","Rokkam, Siva Kumar; Yadav, Mamta; Joshi, Mayank; Choudhury, Angshuman Roy; Sahal, Dinkar; Golakoti, Nageswara Rao","Synthesis, in vitro anti-plasmodial potency, in-silico-cum-SPR binding with inhibition of PfPyridoxal synthase and rapid parasiticidal action by 3,5-bis{(E) arylidene}-N-methyl-4-piperidones","New Journal of Chemistry","2021","45","47","22150","22165","10.1039/D1NJ04604G","","x-ray","0.71073","MoKα","","0.0941","0.0539","","","0.1383","0.1732","","","","","","1.032","","","","has coordinates","271858","2022-01-06","21:46:44",""
"7061069","7.4497","0.0002","15.2211","0.0005","19.6694","0.0006","90","","90","","90","","2230.36","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0519","0.0417","","","0.0888","0.1042","","","","","","1.17","","","","has coordinates","271866","2022-01-06","21:48:06",""
"7061070","11.0788","0.0017","7.5785","0.0011","11.6867","0.0018","90","","118.618","0.005","90","","861.3","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.1232","0.0835","","","0.1915","0.2176","","","","","","1.07","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061071","7.7346","0.0006","14.3407","0.0009","39.815","0.003","90","","90","","90","","4416.3","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C200 H240 N16 O24 -","8","2","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0639","0.045","","","0.0915","0.1004","","","","","","0.995","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061072","11.2823","0.0003","7.3708","0.0002","11.7289","0.0003","90","","118.393","0.001","90","","858.04","0.04","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H28 Cl N -","- C18 H28 Cl N -","- C36 H56 Cl2 N2 -","2","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.028","0.0266","","","0.0705","0.0717","","","","","","1.046","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061073","11.4383","0.0009","10.9604","0.0014","14.2059","0.0013","90","","98.636","0.004","90","","1760.8","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C18 H30 Cl N -","- C18 H30 Cl N -","- C72 H120 Cl4 N4 -","4","2","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0891","0.0533","","","0.0962","0.1121","","","","","","0.989","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061074","12.3617","0.0009","12.7385","0.0009","14.0359","0.0012","104.654","0.006","103.976","0.006","109.378","0.005","1884.6","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Disodium tetrakis-[(N,N'-bis(dimethoxyphosphoryl)hexafluoroglutaramido)]-aqua-Dilanthanum(III) Dihydrate","","- C36 H54 F24 La2 N8 Na2 O35 P8 -","- C36 H48 F24 La2 N8 Na2 O35 P8 -","- C36 H48 F24 La2 N8 Na2 O35 P8 -","1","0.5","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","0.71073","MoKα","","0.0528","0.0405","","","0.0962","0.101","","","","","","1.02","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7061075","17.8807","0.0006","17.8807","0.0006","16.2846","0.0006","90","","90","","90","","5206.5","0.3","100","","100","","","","","","","","","8","P 4 21 2","P 4ab 2ab","90","","","","- C44 H68 F24 N9 Na Nd2 O33 P8 -","- C44 H68 F24 N9 Na Nd2 O33 P8 -","- C88 H136 F48 N18 Na2 Nd4 O66 P16 -","2","0.25","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","0.71073","MoKα","","0.0565","0.0496","","","0.1336","0.1405","","","","","","1.078","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7061076","12.1643","0.0002","12.6444","0.0002","14.1504","0.0003","105.257","0.002","104.052","0.002","109.38","0.001","1845.88","0.07","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","Disodium tetrakis-[(N,N'-bis(dimethoxyphosphoryl)hexafluoroglutaramido)]- aqua-dineodymium(III) Dihydrate","","- C36 H54 F24 N8 Na2 Nd2 O35 P8 -","- C36 H48 F24 N8 Na2 Nd2 O35 P8 -","- C36 H48 F24 N8 Na2 Nd2 O35 P8 -","1","0.5","","Horniichuk, Oleksandr Ye.; Trush, Victor A.; Kariaka, Nataliia S.; Shishkina, Svitlana V.; Dyakonenko, Viktoriya V.; Severinovskaya, Olga V.; Gawryszewska, Paula; Domasevitch, Kostiantyn V.; Watras, Adam; Amirkhanov, Vladimir M.","Novel quadruple-stranded heterometallic Ln2Na complexes hosting sodium ions inside the cryptand-like cavity","New Journal of Chemistry","2021","45","47","22361","22368","10.1039/D1NJ04353F","","","1.54186","CuKα","","0.0538","0.0508","","","0.1459","0.1491","","","","","","1.062","","","","has coordinates,has disorder","271857","2022-01-06","21:46:39",""
"7061077","18.3724","0.0007","13.2094","0.0005","8.0305","0.0003","90","","97.937","0.004","90","","1930.24","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 N3 O -","- C27 H16 N3 O -","- C108 H64 N12 O4 -","4","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0973","0.0655","","","0.1685","0.1923","","","","","","1.235","","","","has coordinates","271862","2022-01-06","21:47:33",""
"7061078","21.5515","0.0006","5.0208","0.0001","18.0754","0.0005","90","","113.476","0.003","90","","1793.97","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N3 O -","- C25 H16 N3 O -","- C100 H64 N12 O4 -","4","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0724","0.0637","","","0.1753","0.1824","","","","","","1.06","","","","has coordinates,has disorder","271862","2022-01-06","21:47:34",""
"7061079","28.8753","0.0002","13.0456","0.0001","8.0244","0.0001","90","","90","","90","","3022.76","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H11 I N3 O -","- C19 H11 I N3 O -","- C152 H88 I8 N24 O8 -","8","1","","Bartos, Paulina; Hande, Aniket A.; Pietrzak, Anna; Chrostowska, Anna; Kaszyński, Piotr","Substituent effects on the electronic structure of the flat Blatter radical: correlation analysis of experimental and computational data","New Journal of Chemistry","2021","45","48","22876","22887","10.1039/D1NJ05137G","","","1.54184","CuKα","","0.0252","0.0234","","","0.0632","0.0642","","","","","","1.097","","","","has coordinates","271862","2022-01-06","21:47:34",""
"7061085","48.835","0.01","6.941","0.0014","15.982","0.003","90","","96.68","0.03","90","","5380.5","1.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 F6 N3 O4 -","- C30 H21 F6 N3 O4 -","- C240 H168 F48 N24 O32 -","8","1","","Gayathri, Parthasarathy; Nag, Probal; Anand, Neethu; Vennapusa, Sivaranjana Reddy; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Molecular conformational twist-controlled wide fluorescence tuning and white light emission in a single fluorophore via halochromism","New Journal of Chemistry","2021","45","47","22450","22460","10.1039/D1NJ04911A","","","0.63","synchrotron","","0.0809","0.0529","","","0.141","0.1525","","","","","","0.991","","","","has coordinates","271856","2022-01-06","21:46:29",""
"7061086","7.115","0.0014","10.484","0.002","10.9","0.002","63.89","0.03","72.81","0.03","77.2","0.03","693.5","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C13 H12 Cl F2 N O Pt S -","- C13 H12 Cl F2 N O Pt S -","- C26 H24 Cl2 F4 N2 O2 Pt2 S2 -","2","1","","Shahsavari, Hamid R.; Paziresh, Sareh","The impact of cyclometalated and phosphine ligands on the luminescence properties of cycloplatinated(ii) complexes: photophysical and theoretical investigations","New Journal of Chemistry","2021","45","48","22732","22740","10.1039/D1NJ04242D","","","0.71073","MoKα","","0.0934","0.0814","","","0.175","0.1789","","","","","","0.943","","","","has coordinates","271865","2022-01-06","21:47:55",""
"7061087","9.7226","0.0019","11.775","0.002","11.78","0.002","77","0.03","88.08","0.03","68.76","0.03","1223.1","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H21 Cl F2 N P Pt -","- C29 H21 Cl F2 N P Pt -","- C58 H42 Cl2 F4 N2 P2 Pt2 -","2","1","","Shahsavari, Hamid R.; Paziresh, Sareh","The impact of cyclometalated and phosphine ligands on the luminescence properties of cycloplatinated(ii) complexes: photophysical and theoretical investigations","New Journal of Chemistry","2021","45","48","22732","22740","10.1039/D1NJ04242D","","","0.71073","MoKα","","0.074","0.0557","","","0.1339","0.1382","","","","","","0.934","","","","has coordinates","271865","2022-01-06","21:47:56",""
"7127432","18.134","0.002","10.7534","0.0012","20.059","0.002","90","","117.509","0.007","90","","3469.3","0.7","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 F4 O4 S8 -","- C32 H18 F4 O4 S8 -","- C128 H72 F16 O16 S32 -","4","1","","Zhou, Hua-Qun; He, Yonghe; Hu, Jie-Ying; Chung, Lai-Hon; Gu, Qinfen; Liao, Wei-Ming; Zeller, Matthias; Xu, Zhengtao; He, Jun","Conjugated crosslinks boost the conductivity and stability of a single crystalline metal-organic framework.","Chemical communications (Cambridge, England)","2021","57","2","187","190","10.1039/d0cc06765b","","","1.54178","CuKα","","0.0767","0.0528","","","0.1328","0.1616","","","","","","1.046","","","","has coordinates,has disorder","261543","2021-02-04","22:35:52",""
"7127433","9.6365","0.0003","11.875","0.0005","21.5769","0.0006","99.134","0.003","92.375","0.002","111.125","0.003","2260.9","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H118 Cl4 O15 P4 -","- C92 H118 Cl4 O15 P4 -","- C92 H118 Cl4 O15 P4 -","1","0.5","","Hu, Shanshan; Sun, Wenyu; Chen, Junhong; Li, Sipei; Zhao, Runmin; Xu, Pengxiang; Gao, Yuxing; Zhao, Yufen","Palladium-catalyzed C-P cross-coupling of allenic alcohols with <i>H</i>-phosphonates leading to 2-phosphinoyl-1,3-butadienes.","Chemical communications (Cambridge, England)","2021","57","3","339","342","10.1039/d0cc07022j","","x-ray","1.54184","CuKα","","0.0536","0.0472","","","0.125","0.1344","","","","","","1.025","","","","has coordinates,has disorder","261568","2021-02-04","22:46:15",""
"7127435","10.095","0.002","30.238","0.006","33.51","0.007","90","","90","","90","","10229","4","100","","100","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0417","0.0415","","","0.1216","0.1218","","","","","","1.036","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127436","10.198","0.002","30.356","0.006","33.691","0.007","90","","90","","90","","10430","4","180","","180","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0619","0.0579","","","0.1681","0.1747","","","","","","1.059","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127437","10.1","0.002","30.244","0.006","33.527","0.007","90","","90","","90","","10241","4","110","","110","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0447","0.0444","","","0.1297","0.13","","","","","","1.052","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127438","10.113","0.002","30.265","0.006","33.554","0.007","90","","90","","90","","10270","4","140","","140","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0513","0.0505","","","0.1466","0.1478","","","","","","1.034","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127439","10.121","0.002","30.275","0.006","33.568","0.007","90","","90","","90","","10286","4","150","","150","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0544","0.0531","","","0.155","0.1569","","","","","","1.055","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127440","10.261","0.002","30.428","0.006","33.801","0.007","90","","90","","90","","10553","4","200","","200","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0781","0.0666","","","0.1957","0.2116","","","","","","1.003","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127441","10.286","0.002","30.443","0.006","33.846","0.007","90","","90","","90","","10598","4","210","","210","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0978","0.0761","","","0.2232","0.2512","","","","","","0.956","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127442","10.318","0.002","30.455","0.006","33.903","0.007","90","","90","","90","","10653","4","220","","220","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1296","0.0876","","","0.2482","0.3025","","","","","","0.963","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127443","10.362","0.002","30.494","0.006","33.987","0.007","90","","90","","90","","10739","4","230","","230","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1501","0.1","","","0.2654","0.3181","","","","","","0.965","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127444","10.104","0.002","30.25","0.006","33.535","0.007","90","","90","","90","","10250","4","120","","120","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0472","0.0467","","","0.1362","0.137","","","","","","1.044","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127445","10.137","0.002","30.295","0.006","33.599","0.007","90","","90","","90","","10318","4","160","","160","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0602","0.0578","","","0.1642","0.1678","","","","","","1.047","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127446","10.164","0.002","30.319","0.006","33.642","0.007","90","","90","","90","","10367","4","170","","170","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0624","0.0588","","","0.1684","0.1734","","","","","","1.047","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127447","10.107","0.002","30.257","0.006","33.542","0.007","90","","90","","90","","10257","4","130","","130","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.0494","0.0488","","","0.1419","0.1429","","","","","","1.042","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127448","10.472","0.002","30.641","0.006","34.155","0.007","90","","90","","90","","10959","4","250","","250","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1207","0.0924","","","0.2592","0.2961","","","","","","1.04","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127449","10.233","0.002","30.396","0.006","33.745","0.007","90","","90","","90","","10496","4","190","","190","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","MoKα","","0.0616","0.0569","","","0.1699","0.1771","","","","","","1.036","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127450","10.424","0.002","30.568","0.006","34.109","0.007","90","","90","","90","","10869","4","240","","240","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C31 H25 Au2 Fe N11 O6 -","- C31 H25 Au2 Fe N11 O6 -","- C248 H200 Au16 Fe8 N88 O48 -","8","1","","Ahmed, Manan; Xie, Zixi; Thoonen, Shannon; Hua, Carol; Kepert, Cameron J.; Price, Jason R.; Neville, Suzanne M.","A new spin crossover Fe<sup>II</sup> coordination environment in a two-fold interpenetrated 3-D Hofmann-type framework material.","Chemical communications (Cambridge, England)","2021","57","1","85","88","10.1039/d0cc07326a","","","0.71073","Synchrotron","","0.1574","0.1065","","","0.2868","0.3397","","","","","","1.032","","","","has coordinates","261520","2021-02-04","22:25:22",""
"7127453","8.182","0.003","16.379","0.007","9.224","0.004","90","","93.177","0.005","90","","1234.2","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H29 Co N7 O14 -","- C15 H29 Co N7 O14 -","- C30 H58 Co2 N14 O28 -","2","1","","Choudhury, Anup; Pichon, Céline; Sutter, Jean-Pascal; Pamu, Dobbidi; Sarma, Bipul; Mudoi, Prashurya Pritam; Gogoi, Nayanmoni","Accessing water processable cyanido bridged chiral heterobimetallic Co(ii)-Fe(iii) one dimensional network.","Chemical communications (Cambridge, England)","2021","57","2","207","210","10.1039/d0cc05356b","","","0.71073","MoKα","","0.068","0.0458","","","0.0911","0.1005","","","","","","1.02","","","","has coordinates","261542","2021-02-04","22:35:40",""
"7127454","10.251","0.005","11.759","0.005","11.983","0.005","92.379","0.005","91.977","0.005","91.531","0.005","1441.8","1.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C42 H48 Co2 Fe2 K2 N22 O11 -","- C42 H44 Co2 Fe2 K2 N22 O11 -","- C42 H44 Co2 Fe2 K2 N22 O11 -","1","1","","Choudhury, Anup; Pichon, Céline; Sutter, Jean-Pascal; Pamu, Dobbidi; Sarma, Bipul; Mudoi, Prashurya Pritam; Gogoi, Nayanmoni","Accessing water processable cyanido bridged chiral heterobimetallic Co(ii)-Fe(iii) one dimensional network.","Chemical communications (Cambridge, England)","2021","57","2","207","210","10.1039/d0cc05356b","","","0.71073","MoKα","","0.1551","0.0908","","","0.1838","0.2102","","","","","","1.287","","","","has coordinates","261542","2021-02-04","22:35:42",""
"7127457","11.0309","0.0012","12.0062","0.0013","12.2428","0.0014","109.57","0.001","111.873","0.001","97.513","0.001","1355.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H90 O8 Yb8 -","- C38 H90 O8 Yb8 -","- C38 H90 O8 Yb8 -","1","0.5","","Katzenmayer, Markus M.; Wolf, Benjamin M.; Mortis, Alexandros; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Polymeric dimethylytterbium and the terminal methyl complex (Tp<sup>tBu,Me</sup>)Yb(CH<sub>3</sub>)(thf).","Chemical communications (Cambridge, England)","2021","57","2","243","246","10.1039/d0cc06981g","","","0.71073","MoKα","","0.0599","0.0383","","","0.0812","0.091","","","","","","1.022","","","","has coordinates","261544","2021-02-04","22:36:09",""
"7127458","8.521","0.003","15.07","0.004","18.244","0.005","90","","90","","90","","2342.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 O Yb -","- C24 H40 O Yb -","- C96 H160 O4 Yb4 -","4","1","","Katzenmayer, Markus M.; Wolf, Benjamin M.; Mortis, Alexandros; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Polymeric dimethylytterbium and the terminal methyl complex (Tp<sup>tBu,Me</sup>)Yb(CH<sub>3</sub>)(thf).","Chemical communications (Cambridge, England)","2021","57","2","243","246","10.1039/d0cc06981g","","","0.71073","MoKα","","0.0437","0.0294","","","0.0553","0.0605","","","","","","1.034","","","","has coordinates","261544","2021-02-04","22:36:09",""
"7127459","8.8586","0.0004","12.4947","0.0006","21.8119","0.0009","73.769","0.001","86.719","0.001","71.323","0.001","2194.58","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H72 N4 Si8 Yb2 -","- C24 H72 N4 Si8 Yb2 -","- C48 H144 N8 Si16 Yb4 -","2","1","","Katzenmayer, Markus M.; Wolf, Benjamin M.; Mortis, Alexandros; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Polymeric dimethylytterbium and the terminal methyl complex (Tp<sup>tBu,Me</sup>)Yb(CH<sub>3</sub>)(thf).","Chemical communications (Cambridge, England)","2021","57","2","243","246","10.1039/d0cc06981g","","","0.71073","MoKα","","0.0294","0.0225","","","0.0472","0.0501","","","","","","1.028","","","","has coordinates","261544","2021-02-04","22:36:09",""
"7127460","11.6943","0.0012","15.8997","0.0016","19.6227","0.0019","79.97","0.003","80.792","0.003","81.066","0.003","3515.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H55 B N6 O1.5 Yb -","- C31 H55 B N6 O1.5 Yb -","- C124 H220 B4 N24 O6 Yb4 -","4","2","","Katzenmayer, Markus M.; Wolf, Benjamin M.; Mortis, Alexandros; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Polymeric dimethylytterbium and the terminal methyl complex (Tp<sup>tBu,Me</sup>)Yb(CH<sub>3</sub>)(thf).","Chemical communications (Cambridge, England)","2021","57","2","243","246","10.1039/d0cc06981g","","","0.71073","MoKα","","0.0664","0.0356","","","0.0719","0.0837","","","","","","1.038","","","","has coordinates,has disorder","261544","2021-02-04","22:36:09",""
"7127471","9.1584","0.0013","10.6273","0.0015","11.0747","0.0016","95.856","0.002","112.392","0.002","103.122","0.002","949.1","0.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H17 F O2 -","- C27 H17 F O2 -","- C54 H34 F2 O4 -","2","1","","Tang, Bo-Cheng; He, Cai; Chen, Xiang-Long; Ma, Jin-Tian; Wang, Miao; Wu, Yan-Dong; Wu, An-Xin","Palladium catalyzed annulation of 2-iodobiphenyl with a non-terminal alkene enabled by neighboring group assistance.","Chemical communications (Cambridge, England)","2021","57","1","121","124","10.1039/d0cc07133a","","","0.71073","MoKα","","0.0463","0.0409","","","0.121","0.1289","","","","","","1.094","","","","has coordinates","261523","2021-02-04","22:26:26",""
"7127474","15.6886","0.001","28.4973","0.0018","23.6204","0.0014","90","","93.442","0.002","90","","10541.2","1.1","153","2","152.98","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H164 Dy2 I6 O4 P4 -","- C93 H156 Dy2 I6 O4 P4 -","- C372 H624 Dy8 I24 O16 P16 -","4","1","","Wu, Haipeng; Li, Min; Xia, Zhengqiang; Montigaud, Vincent; Cador, Olivier; Le Guennic, Boris; Ke, Hongshan; Wang, Wenyuan; Xie, Gang; Chen, Sanping; Gao, Shengli","High temperature quantum tunnelling of magnetization and thousand kelvin anisotropy barrier in a Dy<sub>2</sub> single-molecule magnet.","Chemical communications (Cambridge, England)","2021","57","3","371","374","10.1039/d0cc06993k","","","1.54178","CuKα","","0.0286","0.0269","","","0.0751","0.0763","","","","","","1.048","","","","has coordinates","261571","2021-02-04","22:47:36",""
"7127491","13.0721","0.0003","13.0721","0.0003","63.6995","0.0019","90","","90","","120","","9426.6","0.4","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C119 H110 Cl4 Fe6 N12 O47 Zn4 -","- C119 H90 Cl4 Fe6 N12 O46.998 Zn4 -","- C357 H270 Cl12 Fe18 N36 O140.994 Zn12 -","3","0.166667","","Yang, Chao; Wang, Shenyu; Sai, Fusheng; Liu, Dingqi; Sun, Fuxing; Gu, Yu; Wu, Gang","Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II.","Chemical communications (Cambridge, England)","2021","57","1","113","116","10.1039/d0cc07050e","","","0.71073","MoKα","","0.053","0.0406","","","0.0957","0.1016","","","","","","1.031","","","","has coordinates,has disorder","261526","2021-02-04","22:27:58",""
"7127492","13.1328","0.0003","13.1328","0.0003","63.2624","0.0019","90","","90","","120","","9449.1","0.4","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C119 H110 Cl4 Fe6 Mn4 N12 O47 -","- C119 H90 Cl4 Fe6 Mn4 N12 O46.9998 -","- C357 H270 Cl12 Fe18 Mn12 N36 O140.999 -","3","0.166667","","Yang, Chao; Wang, Shenyu; Sai, Fusheng; Liu, Dingqi; Sun, Fuxing; Gu, Yu; Wu, Gang","Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II.","Chemical communications (Cambridge, England)","2021","57","1","113","116","10.1039/d0cc07050e","","","0.71073","MoKα","","0.0689","0.0526","","","0.13","0.1388","","","","","","1.081","","","","has coordinates,has disorder","261526","2021-02-04","22:27:58",""
"7127493","14.1061","0.001","14.4531","0.0009","17.9914","0.0012","79.977","0.002","68.32","0.002","72.495","0.002","3242.5","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 Cl2 Fe3 N6 Ni2 O22 -","- C57 H48 Cl2 Fe3 N6 Ni2 O22 -","- C114 H96 Cl4 Fe6 N12 Ni4 O44 -","2","1","","Yang, Chao; Wang, Shenyu; Sai, Fusheng; Liu, Dingqi; Sun, Fuxing; Gu, Yu; Wu, Gang","Pentanuclear clusters resembling the cubane-dangler connectivity in the native oxygen-evolving center of photosystem II.","Chemical communications (Cambridge, England)","2021","57","1","113","116","10.1039/d0cc07050e","","","0.71073","MoKα","","0.1184","0.0969","","","0.2467","0.2709","","","","","","1.039","","","","has coordinates,has disorder","261526","2021-02-04","22:27:58",""
"7127503","13.719","0.0004","13.4877","0.0003","16.7867","0.0004","90","","105.527","0.002","90","","2992.81","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N2 O5 -","- C34 H32 N2 O5 -","- C136 H128 N8 O20 -","4","1","","Jin, Shaojing; Wang, Lele; Han, Huabin; Liu, Xiongli; Bu, Zhanwei; Wang, Qilin","Assembly of functionalized π-extended indolizine polycycles through dearomative [3+2] cycloaddition/oxidative decarbonylation.","Chemical communications (Cambridge, England)","2021","57","3","359","362","10.1039/d0cc07116a","","x-ray","1.54184","CuKα","","0.0576","0.0456","","","0.1176","0.1291","","","","","","1.028","","","","has coordinates","261569","2021-02-04","22:46:26",""
"7127512","8.334","0.011","10.56","0.013","12.426","0.014","90.25","0.02","107.99","0.02","107.34","0.03","987","2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H42 S2 -","- C52 H42 S2 -","- C52 H42 S2 -","1","0.5","","Schmidt, Maximilian; Wassy, Daniel; Hermann, Mathias; González, M Teresa; Agräit, Nicolás; Zotti, Linda A.; Esser, Birgit; Leary, Edmund","Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference.","Chemical communications (Cambridge, England)","2021","57","6","745","748","10.1039/d0cc06810a","","x-ray","0.71073","MoKα","","0.1011","0.0589","","","0.1375","0.1585","","","","","","1.034","","","","has coordinates","261552","2021-02-04","22:39:12",""
"7127513","5.323","0.004","7.924","0.006","28.58","0.02","89.815","0.013","89.07","0.03","89.71","0.02","1205.3","1.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 S2 -","- C32 H22 S2 -","- C64 H44 S4 -","2","1","","Schmidt, Maximilian; Wassy, Daniel; Hermann, Mathias; González, M Teresa; Agräit, Nicolás; Zotti, Linda A.; Esser, Birgit; Leary, Edmund","Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference.","Chemical communications (Cambridge, England)","2021","57","6","745","748","10.1039/d0cc06810a","","x-ray","0.71073","MoKα","","0.0993","0.0746","","","0.1886","0.2045","","","","","","1.079","","","","has coordinates","261552","2021-02-04","22:39:13",""
"7127514","10.284","0.016","7.894","0.017","24.43","0.04","90","","99.52","0.02","90","","1956","6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 S2 -","- C52 H42 S2 -","- C104 H84 S4 -","2","0.5","","Schmidt, Maximilian; Wassy, Daniel; Hermann, Mathias; González, M Teresa; Agräit, Nicolás; Zotti, Linda A.; Esser, Birgit; Leary, Edmund","Single-molecule conductance of dibenzopentalenes: antiaromaticity and quantum interference.","Chemical communications (Cambridge, England)","2021","57","6","745","748","10.1039/d0cc06810a","","x-ray","0.71073","MoKα","","0.1364","0.0929","","","0.2077","0.2348","","","","","","1.1","","","","has coordinates","261552","2021-02-04","22:39:13",""
"7127518","5.4867","0.0005","12.1391","0.0011","28.047","0.003","90","","90","","90","","1868","0.3","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl2 O2 -","- C23 H18 Cl2 O2 -","- C92 H72 Cl8 O8 -","4","1","","Burde, Ameya S.; Karyakarte, Shuklendu D.; Sylvester, Eric D.; Chemler, Sherry R.","Copper-catalyzed enantioselective synthesis of bridged bicyclic ketals from 1,1-disubstituted-4-methylene-1,6-hexanediols and related alkenols.","Chemical communications (Cambridge, England)","2021","57","1","105","108","10.1039/d0cc06404a","","x-ray","0.71073","MoKα","","0.0371","0.0304","","","0.0685","0.0704","","","","","","1.046","","","","has coordinates","261522","2021-02-04","22:25:59",""
"7127519","14.015","0.002","9.4761","0.0009","17.0238","0.0018","90","","95.826","0.006","90","","2249.2","0.5","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O2 -","- C31 H28 O2 -","- C124 H112 O8 -","4","1","","Burde, Ameya S.; Karyakarte, Shuklendu D.; Sylvester, Eric D.; Chemler, Sherry R.","Copper-catalyzed enantioselective synthesis of bridged bicyclic ketals from 1,1-disubstituted-4-methylene-1,6-hexanediols and related alkenols.","Chemical communications (Cambridge, England)","2021","57","1","105","108","10.1039/d0cc06404a","","","0.71073","MoKα","","0.0726","0.0593","","","0.1589","0.1662","","","","","","1.079","","","","has coordinates,has disorder","261522","2021-02-04","22:26:01",""
"7127521","10.06","0.0005","12.656","0.0007","34.5461","0.0019","90","","92.8652","0.0018","90","","4392.9","0.4","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 Au B F12 N P -","- C45 H38 Au B F12 N P -","- C180 H152 Au4 B4 F48 N4 P4 -","4","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0443","0.0305","","","0.0654","0.0701","","","","","","1.094","","","","has coordinates,has disorder","261570","2021-02-04","22:47:18",""
"7127522","14.4357","0.0008","21.5653","0.0015","25.4588","0.0017","87.595","0.003","77.238","0.003","83.387","0.003","7677.2","0.9","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H92 Au B F12 O3 P2 -","- C78 H92 Au B F12 O3 P2 -","- C312 H368 Au4 B4 F48 O12 P8 -","4","2","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0746","0.0387","","","0.0727","0.0832","","","","","","1.048","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127523","15.7366","0.0008","17.7379","0.0009","29.4924","0.0017","90","","105.007","0.0017","90","","7951.6","0.7","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 Au B F12 N P -","- C39 H36 Au B F12 N P -","- C312 H288 Au8 B8 F96 N8 P8 -","8","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0698","0.0332","","","0.0531","0.0627","","","","","","1.068","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127524","11.2978","0.0007","13.6927","0.001","14.2787","0.001","108.722","0.002","100.233","0.0019","102.532","0.0019","1967.7","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H36 Au B F12 N P -","- C39 H36 Au B F12 N P -","- C78 H72 Au2 B2 F24 N2 P2 -","2","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0534","0.0349","","","0.0584","0.0635","","","","","","1.029","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127525","24.8443","0.0018","22.0162","0.0017","30.643","0.002","90","","90","","90","","16761","2","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C75 H96 Au B Cl6 F12 O3 P2 -","- C75 H96 Au B Cl6 F12 O3 P2 -","- C600 H768 Au8 B8 Cl48 F96 O24 P16 -","8","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0695","0.0362","","","0.0797","0.0959","","","","","","1.063","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127526","18.4404","0.001","22.2609","0.0011","23.8142","0.001","90","","90","","90","","9775.7","0.8","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C46 H39 Au B Cl3 F12 N P -","- C46 H39 Au B Cl3 F12 N P -","- C368 H312 Au8 B8 Cl24 F96 N8 P8 -","8","1","","Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.","Chemical communications (Cambridge, England)","2021","57","3","347","350","10.1039/d0cc06978g","","","0.71073","MoKα","","0.0419","0.0281","","","0.0676","0.0763","","","","","","1.047","","","","has coordinates,has disorder","261570","2021-02-04","22:47:22",""
"7127527","10.4855","0.0004","11.1137","0.0005","12.492","0.0004","111.886","0.004","101.798","0.003","103.943","0.004","1239.04","0.11","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 N O5 Pb -","- C12 H12 N O5 Pb -","- C48 H48 N4 O20 Pb4 -","4","2","","Chen, Xi; Zhang, Zhongyue; Chen, Jin; Sapchenko, Sergei; Han, Xue; da-Silva, Ivan; Li, Ming; Vitorica-Yrezabal, Inigo J; Whitehead, George; Tang, Chiu C.; Awaga, Kunio; Yang, Sihai; Schröder, Martin","Enhanced proton conductivity in a flexible metal-organic framework promoted by single-crystal-to-single-crystal transformation.","Chemical communications (Cambridge, England)","2021","57","1","65","68","10.1039/d0cc05270a","","x-ray","0.71073","MoKα","","0.0441","0.0358","","","0.0918","0.0946","","","","","","1.01","","","","has coordinates","261525","2021-02-04","22:27:39",""
"7127528","7.3121","0.0017","9.4816","0.0017","11.803","0.003","81.482","0.017","74.95","0.02","73.334","0.018","754.6","0.3","99.8","0.8","99.8","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 O9 Pb2 -","- C16 H8 O9 Pb2 -","- C32 H16 O18 Pb4 -","2","1","","Chen, Xi; Zhang, Zhongyue; Chen, Jin; Sapchenko, Sergei; Han, Xue; da-Silva, Ivan; Li, Ming; Vitorica-Yrezabal, Inigo J; Whitehead, George; Tang, Chiu C.; Awaga, Kunio; Yang, Sihai; Schröder, Martin","Enhanced proton conductivity in a flexible metal-organic framework promoted by single-crystal-to-single-crystal transformation.","Chemical communications (Cambridge, England)","2021","57","1","65","68","10.1039/d0cc05270a","","","1.54184","CuKα","","0.1251","0.1003","","","0.2797","0.3038","","","","","","1.202","","","","has coordinates","261525","2021-02-04","22:27:40",""
"7127529","9.3908","0.0007","18.8473","0.0008","4.6739","0.0003","90","","118.995","0.005","90","","723.55","0.09","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Pb_based_MOF","- C8 H3 O4 Pb -","- C8 H3 O4 Pb -","- C32 H12 O16 Pb4 -","4","0.5","","Chen, Xi; Zhang, Zhongyue; Chen, Jin; Sapchenko, Sergei; Han, Xue; da-Silva, Ivan; Li, Ming; Vitorica-Yrezabal, Inigo J; Whitehead, George; Tang, Chiu C.; Awaga, Kunio; Yang, Sihai; Schröder, Martin","Enhanced proton conductivity in a flexible metal-organic framework promoted by single-crystal-to-single-crystal transformation.","Chemical communications (Cambridge, England)","2021","57","1","65","68","10.1039/d0cc05270a","powder diffraction","","0.824869","synchrotron","","0.775186","","","","","","","","1.55729","","","","","","","has coordinates","261525","2021-02-04","22:27:40",""
"7127530","16.0009","0.00004","9.969","0.00004","16.2184","0.00004","90","","108.181","0.004","90","","2457.89","0.06","115","","115","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H43 B Li O P -","- C24 H43 B Li O P -","- C96 H172 B4 Li4 O4 P4 -","4","1","","Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien","Synthesis and reactivity of phosphine borohydride compounds.","Chemical communications (Cambridge, England)","2021","57","3","375","378","10.1039/d0cc07072f","","","0.71073","MoKα","","0.0857","0.0511","","0.0946","0.0516","0.0478","","","","","","1.1052","","","","has coordinates","261574","2021-02-04","22:48:52",""
"7127531","10.2174","0.00002","10.9064","0.00003","15.0364","0.00003","77.67","0.003","74.617","0.003","87.944","0.003","1577.9","0.03","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H49 B Li O P -","- C34 H49 B Li O P -","- C68 H98 B2 Li2 O2 P2 -","2","1","","Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien","Synthesis and reactivity of phosphine borohydride compounds.","Chemical communications (Cambridge, England)","2021","57","3","375","378","10.1039/d0cc07072f","","","0.71073","MoKα","","0.0532","0.0532","","0.0831","0.0831","0.0727","","","","","","1.0732","","","","has coordinates","261574","2021-02-04","22:48:52",""
"7127532","7.7245","0.0002","11.1972","0.0004","21.3905","0.0001","90","","97.583","0.004","90","","1833.94","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 B P -","- C20 H31 B P -","- C80 H124 B4 P4 -","4","1","","Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien","Synthesis and reactivity of phosphine borohydride compounds.","Chemical communications (Cambridge, England)","2021","57","3","375","378","10.1039/d0cc07072f","","x-ray","0.71073","MoKα","","0.0834","0.0584","","","0.1578","0.1787","","","","","","1.124","","","","has coordinates,has disorder","261574","2021-02-04","22:48:52",""
"7127533","17.3854","0.0001","9.637","","21.4581","0.0001","90","","109.675","0.004","90","","3385.26","0.09","110","2","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H51 B Li O P -","- C38 H51 B Li O P -","- C152 H204 B4 Li4 O4 P4 -","4","1","","Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien","Synthesis and reactivity of phosphine borohydride compounds.","Chemical communications (Cambridge, England)","2021","57","3","375","378","10.1039/d0cc07072f","","","0.71073","MoKα","","0.0839","0.072","","","0.2155","0.224","","","","","","1.256","","","","has coordinates","261574","2021-02-04","22:48:52",""
"7127534","11.0929","0.000014","19.4758","0.00002","35.9239","0.00003","90","","90","","90","","7761.11","0.014","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H138 B2 Li2 O4 P2 -","- C80 H138 B2 Li2 O4 P2 -","- C320 H552 B8 Li8 O16 P8 -","4","1","","Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien","Synthesis and reactivity of phosphine borohydride compounds.","Chemical communications (Cambridge, England)","2021","57","3","375","378","10.1039/d0cc07072f","","","0.71073","MoKα","","0.0475","0.0475","","0.0439","0.0439","0.0434","","","","","","0.8344","","","","has coordinates","261574","2021-02-04","22:48:52",""
"7127540","9.7169","0.0008","10.6308","0.0006","11.537","0.0007","104.586","0.005","110.708","0.007","96.983","0.006","1049.22","0.14","294","","294","","","","","","","","","4","P -1","-P 1","2","","","","- C24 Au2 Cl10 F12 -","- C24 Au2 Cl10 F12 -","- C24 Au2 Cl10 F12 -","1","0.5","","Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.","Chemical communications (Cambridge, England)","2021","57","1","125","128","10.1039/d0cc06450e","","x-ray","0.71073","MoKα","","0.0518","0.034","","","0.0619","0.0689","","","","","","0.966","","","","has coordinates","261521","2021-02-04","22:25:46",""
"7127541","17.801","0.004","12.593","0.003","17.029","0.003","90","","116.43","0.02","90","","3418.4","1.4","294","","294","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Au Cl6 F9 O3 -","- C26 H22 Au Cl6 F9 O3 -","- C104 H88 Au4 Cl24 F36 O12 -","4","0.5","","Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.","Chemical communications (Cambridge, England)","2021","57","1","125","128","10.1039/d0cc06450e","","x-ray","0.71073","MoKα","","0.1104","0.0617","","","0.1185","0.1419","","","","","","1.015","","","","has coordinates","261521","2021-02-04","22:25:47",""
"7127542","10.2702","0.0007","12.5565","0.0009","16.0292","0.0011","103.351","0.006","101.635","0.006","110.575","0.006","1789.9","0.3","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Au Cl6 F6 N -","- C28 H36 Au Cl6 F6 N -","- C56 H72 Au2 Cl12 F12 N2 -","2","1","","Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.","Chemical communications (Cambridge, England)","2021","57","1","125","128","10.1039/d0cc06450e","","","0.71073","MoKα","","0.0905","0.0467","","","0.0895","0.113","","","","","","1.017","","","","has coordinates","261521","2021-02-04","22:25:47",""
"7127543","9.7193","0.0006","12.2962","0.0007","15.3889","0.0009","100.005","0.005","97.584","0.005","99.628","0.005","1760.92","0.19","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Au Cl6 F6 N -","- C28 H36 Au Cl6 F6 N -","- C56 H72 Au2 Cl12 F12 N2 -","2","1","","Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.","Chemical communications (Cambridge, England)","2021","57","1","125","128","10.1039/d0cc06450e","","x-ray","0.71073","MoKα","","0.1057","0.0628","","","0.1468","0.1769","","","","","","1.024","","","","has coordinates","261521","2021-02-04","22:25:47",""
"7127544","18.9386","0.0007","18.9386","0.0007","12.733","0.0009","90","","90","","90","","4567","0.4","294","","294","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C40 H36 Au Cl8 F12 N -","- C40 H36 Au Cl8 F12 N -","- C160 H144 Au4 Cl32 F48 N4 -","4","0.25","","Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo","Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.","Chemical communications (Cambridge, England)","2021","57","1","125","128","10.1039/d0cc06450e","","x-ray","0.71073","MoKα","","0.0927","0.0535","","","0.0885","0.1013","","","","","","1.079","","","","has coordinates","261521","2021-02-04","22:25:47",""
"7127545","9.465","0.0002","23.2224","0.0004","9.3743","0.0001","90","","96.27","0.001","90","","2048.15","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","","1.54184","CuKα","","0.0779","0.0681","","","0.1795","0.1877","","","","","","1.0512","","","","has coordinates,has disorder","261540","2021-02-04","22:34:50",""
"7127546","10.305","0.0002","10.305","0.0002","19.6103","0.0006","90","","90","","90","","2082.48","0.09","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","0.5","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.0817","0.0793","","","0.2009","0.2036","","","","","","1.104","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127547","5.7907","0.0004","34.727","0.002","18.7947","0.0013","90","","91.041","0.005","90","","3778.9","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 O2 -","- C27 H18 O2 -","- C216 H144 O16 -","8","2","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","","1.54178","CuKα","","0.0818","0.0556","","","0.1336","0.1509","","","","","","1.033","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127548","9.865","0.0001","15.3404","0.0001","19.3137","0.0001","90","","90","","90","","2922.8","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 O2 -","- C40 H30 O2 -","- C160 H120 O8 -","4","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.034","0.032","","","0.0829","0.0842","","","","","","1.048","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127549","9.4767","0.0001","21.0834","0.0003","10.6676","0.0002","90","","107.812","0.0007","90","","2029.23","0.05","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","","1.54178","CuKα","","0.0392","0.0353","","","0.0971","0.1006","","","","","","1.088","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127550","9.7287","0.0001","10.5757","0.0002","15.2022","0.0003","109.07","0.002","102.442","0.001","90.391","0.001","1438.5","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H30 O2 -","- C39.994 H29.995 O2 -","- C79.988 H59.99 O4 -","2","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.0921","0.083","","","0.2427","0.254","","","","","","1.059","","","","has coordinates,has disorder","261540","2021-02-04","22:34:51",""
"7127551","7.156","0.0001","7.1296","0.0001","28.7875","0.0004","90","","92.485","0.001","90","","1467.34","0.04","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C40 H30 O2 -","- C40 H30 O2 -","- C80 H60 O4 -","2","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.055","0.0517","","","0.1359","0.1387","","","","","","1.043","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127552","13.76217","0.00004","10.08021","0.00003","14.3837","0.00004","90","","90.2256","0.0003","90","","1995.37","0.01","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.0364","0.0357","","","0.0912","0.0918","","","","","","1.077","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127553","12.994","0.014","32.99","0.03","13.281","0.014","90","","102.381","0.016","90","","5561","10","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(5,10,15-Triphenyl-tetrabenzocorrolato)Cu hexachloroantimonate","","- C53 H31 Cl6 Cu N4 Sb -","- C53 H31 Cl6 Cu N4 Sb -","- C212 H124 Cl24 Cu4 N16 Sb4 -","4","1","","Wu, Fan; Xu, Jialiang; Gao, Hu; Li, Chenhong; Xu, Shuai; Uno, Hidemitsu; Xu, Yan; Zhao, Yue; Shen, Zhen","A cationic benzocorrole Cu(II) complex as a highly stable antiaromatic system.","Chemical communications (Cambridge, England)","2021","57","3","383","386","10.1039/d0cc06703b","","","0.71073","MoKα","","0.1194","0.0623","","","0.1724","0.1906","","","","","","1.025","","","","has coordinates,has disorder","261573","2021-02-04","22:48:27",""
"7127554","4.2604","0.0002","7.858","0.0004","30.3127","0.0014","90","","90","","90","","1014.82","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br N O -","- C11 H11 Br N O -","- C44 H44 Br4 N4 O4 -","4","1","","Ye, Xiang-Yu; Liang, Zhi-Qin; Jin, Cong; Lang, Qi-Wei; Chen, Gen-Qiang; Zhang, Xumu","Design of oxa-spirocyclic PHOX ligands for the asymmetric synthesis of lorcaserin via iridium-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2021","57","2","195","198","10.1039/d0cc06311h","","x-ray","0.71073","MoKα","","0.0326","0.0304","","","0.0706","0.0714","","","","","","1.076","","","","has coordinates","261546","2021-02-04","22:36:54",""
"7127555","10.3636","0.0009","11.322","0.001","17.7474","0.0015","80.786","0.002","73.318","0.002","89.103","0.002","1968","0.3","200","2","200","","","","","","","","","6","P 1","P 1","1","","","","- C36 H25 Br2 N3 O3 S -","- C36 H25 Br2 N3 O3 S -","- C72 H50 Br4 N6 O6 S2 -","2","2","","Wang, Wenyao; Bao, Xiaoze; Wei, Shiqiang; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Asymmetric sequential annulation/aldol process of 4-isothiocyanato pyrazolones and allenones: access to novel spiro[pyrrole-pyrazolones] and spiro[thiopyranopyrrole-pyrazolones].","Chemical communications (Cambridge, England)","2021","57","3","363","366","10.1039/d0cc07113g","","","0.71073","MoKα","","0.099","0.0541","","","0.1244","0.1401","","","","","","0.984","","","","has coordinates","261572","2021-02-04","22:48:11",""
"7127556","12.5755","0.0011","10.6535","0.0009","13.6818","0.0012","90","","115.503","0.002","90","","1654.4","0.2","297","","297","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H25 Br2 N3 O3 S -","- C36 H25 Br2 N3 O3 S -","- C72 H50 Br4 N6 O6 S2 -","2","1","","Wang, Wenyao; Bao, Xiaoze; Wei, Shiqiang; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Asymmetric sequential annulation/aldol process of 4-isothiocyanato pyrazolones and allenones: access to novel spiro[pyrrole-pyrazolones] and spiro[thiopyranopyrrole-pyrazolones].","Chemical communications (Cambridge, England)","2021","57","3","363","366","10.1039/d0cc07113g","","","0.71073","MoKα","","0.134","0.054","","","0.0775","0.0955","","","","","","0.99","","","","has coordinates","261572","2021-02-04","22:48:12",""
"7127557","19.6936","0.0002","38.3273","0.0003","27.2035","0.0003","90","","97.466","0.001","90","","20359.2","0.3","130","2","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C176 H176 N32 O28 S2 -","- C176 H176 N32 O28 S2 -","- C704 H704 N128 O112 S8 -","4","1","","Pramanik, Susnata; Kauffmann, Brice; Hecht, Stefan; Ferrand, Yann; Huc, Ivan","Light-mediated chiroptical switching of an achiral foldamer host in presence of a carbohydrate guest.","Chemical communications (Cambridge, England)","2021","57","1","93","96","10.1039/d0cc06484j","","","1.54184","CuKα","","0.0908","0.0852","","","0.241","0.2463","","","","","","1.029","","","","has coordinates,has disorder","261524","2021-02-04","22:27:08",""
"7127558","19.9465","0.0007","20.6535","0.0006","29.53","0.0009","70.68","0.003","82.045","0.003","68.219","0.003","10659","0.7","130","","130","2","","","","","","","","9","P -1","-P 1","2","","","","- C199 H226 Cl4 F6 Mg N32 O27 P S2 -","- C199 H225.999 Cl4 F6 Mg N32 O27 P S2 -","- C397.999 H451.999 Cl8 F12 Mg2 N64 O54 P2 S4 -","2","1","","Pramanik, Susnata; Kauffmann, Brice; Hecht, Stefan; Ferrand, Yann; Huc, Ivan","Light-mediated chiroptical switching of an achiral foldamer host in presence of a carbohydrate guest.","Chemical communications (Cambridge, England)","2021","57","1","93","96","10.1039/d0cc06484j","","","1.54184","CuKα","","0.1309","0.0909","","","0.2589","0.2991","","","","","","1.046","","","","has coordinates,has disorder","261524","2021-02-04","22:27:08",""
"7127559","39.9797","0.0006","39.0226","0.0004","35.4973","0.0005","90","","110.728","0.002","90","","51795.1","1.4","130","2","130","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C430 H458 N80 O74 S9 -","- C430 H458 N80 O74 S9 -","- C1720 H1832 N320 O296 S36 -","4","1","","Pramanik, Susnata; Kauffmann, Brice; Hecht, Stefan; Ferrand, Yann; Huc, Ivan","Light-mediated chiroptical switching of an achiral foldamer host in presence of a carbohydrate guest.","Chemical communications (Cambridge, England)","2021","57","1","93","96","10.1039/d0cc06484j","","","1.54178","CuKα","","0.1611","0.1189","","","0.3485","0.3867","","","","","","1.391","","","","has coordinates","261524","2021-02-04","22:27:08",""
"7127560","19.7417","0.0004","8.2997","0.0002","41.8665","0.001","90","","90","","90","","6859.8","0.3","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H34 F12 N4 O4 P2 -","- C29 H34 F12 N4 O4 P2 -","- C232 H272 F96 N32 O32 P16 -","8","2","","Serpell, Christopher J.; Park, Ah Young; Robinson, Carol V.; Beer, Paul D.","Imidazolium-based catenane host for bromide recognition in aqueous media.","Chemical communications (Cambridge, England)","2021","57","1","101","104","10.1039/d0cc06299e","","","0.71073","MoKα","","0.1118","0.0739","","0.1934","0.1673","0.1934","","","","","","0.9123","","","","has coordinates","261527","2021-02-04","22:28:15",""
"7127561","22.115","0.002","8.2941","0.0008","17.1145","0.0016","90","","93.599","0.005","90","","3133","0.5","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl F6 N4 O4 P -","- C29 H34 Cl F6 N4 O4 P -","- C116 H136 Cl4 F24 N16 O16 P4 -","4","1","","Serpell, Christopher J.; Park, Ah Young; Robinson, Carol V.; Beer, Paul D.","Imidazolium-based catenane host for bromide recognition in aqueous media.","Chemical communications (Cambridge, England)","2021","57","1","101","104","10.1039/d0cc06299e","","","0.71073","MoKα","","0.0994","0.0747","","0.1718","0.1368","0.1707","","","","","","1.2674","","","","has coordinates","261527","2021-02-04","22:28:15",""
"7127562","24.685","0.0004","6.8709","0.0001","19.9436","0.0003","90","","97.1114","0.0006","90","","3356.58","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.72 H31.44 F12 N4 O4.24 P2 -","- C27.72 H31.44 F12 N4 O4.24 P2 -","- C110.88 H125.76 F48 N16 O16.96 P8 -","4","1","","Serpell, Christopher J.; Park, Ah Young; Robinson, Carol V.; Beer, Paul D.","Imidazolium-based catenane host for bromide recognition in aqueous media.","Chemical communications (Cambridge, England)","2021","57","1","101","104","10.1039/d0cc06299e","","","0.71073","MoKα","","0.0976","0.0866","","0.2568","0.2459","0.2568","","","","","","1.0445","","","","has coordinates,has disorder","261527","2021-02-04","22:28:15",""
"7127563","14.1019","0.0016","19.733","0.002","21.198","0.002","101.081","0.003","101.266","0.003","100.857","0.003","5518.7","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Co_tBudhbpy_py2_PF6","","","- C96 H112 Co2 F12 N8 O4 P2 -","- C96 H112 Co2 F12 N8 O4 P2 -","- C192 H224 Co4 F24 N16 O8 P4 -","2","1","","Nichols, Asa W.; Kuehner, Joseph S.; Huffman, Brittany L.; Miedaner, Peter R.; Dickie, Diane A.; Machan, Charles W.","Reduction of dioxygen to water by a Co(N<sub>2</sub>O<sub>2</sub>) complex with a 2,2'-bipyridine backbone.","Chemical communications (Cambridge, England)","2021","57","4","516","519","10.1039/d0cc06763f","","","0.71073","MoKα","","0.1465","0.0607","","","0.1525","0.1928","","","","","","0.962","","","","has coordinates,has disorder","261538","2021-02-04","22:33:43",""
"7127564","7.834","0.0005","11.7432","0.0007","12.8374","0.0007","77.393","0.001","87.052","0.001","82.229","0.002","1141.64","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cl4 N8 O18 Ru2 S6 -","- C24 H42.364 Cl4 N8 O18 Ru2 S6 -","- C24 H42.364 Cl4 N8 O18 Ru2 S6 -","1","0.5","","Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J; Grass Wang, SuYin; Chen, Yu-Sheng","Rapid build up of nanooptomechanical transduction in single crystals of a ruthenium-based SO<sub>2</sub> linkage photoisomer.","Chemical communications (Cambridge, England)","2021","57","11","1320","1323","10.1039/d0cc06755e","","","0.41328","synchrotron","","0.0632","0.0432","","","0.0967","0.1018","","","","","","0.969","","","","has coordinates,has disorder","262511","2021-03-05","01:23:53",""
"7127565","7.8469","0.0008","11.8085","0.0013","12.8063","0.0013","77.427","0.002","87.258","0.002","82.259","0.002","1147.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H44 Cl4 N8 O18 Ru2 S6 -","- C24 H44 Cl4 N8 O18 Ru2 S6 -","- C24 H44 Cl4 N8 O18 Ru2 S6 -","1","0.5","","Cole, Jacqueline M.; Gosztola, David J.; Velazquez-Garcia, Jose de J; Grass Wang, SuYin; Chen, Yu-Sheng","Rapid build up of nanooptomechanical transduction in single crystals of a ruthenium-based SO<sub>2</sub> linkage photoisomer.","Chemical communications (Cambridge, England)","2021","57","11","1320","1323","10.1039/d0cc06755e","","","0.41328","synchrotron","","0.0728","0.0426","","","0.0998","0.106","","","","","","0.876","","","","has coordinates,has disorder","262511","2021-03-05","01:23:53",""
"7127566","11.6645","0.0007","10.8473","0.0007","18.382","0.0011","90","","97.004","0.004","90","","2308.5","0.2","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl N2 O4 -","- C27 H21 Cl N2 O4 -","- C108 H84 Cl4 N8 O16 -","4","1","","Xie, Lihua; Li, Yi; Dong, Shunxi; Feng, Xiaoming; Liu, Xiaohua","Catalytic asymmetric formal [3+2] cycloaddition of isatogens with azlactones to construct indolin-3-one derivatives.","Chemical communications (Cambridge, England)","2021","57","2","239","242","10.1039/d0cc06418a","","","1.54178","CuKα","","0.1384","0.0844","","","0.2334","0.2974","","","","","","0.997","","","","has coordinates","261541","2021-02-04","22:35:09",""
"7127567","13.5867","0.0011","4.3673","0.0004","16.8442","0.0012","90","","104.545","0.008","90","","967.45","0.14","100","0.2","100","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H19 F O2 -","- C27 H19 F O2 -","- C54 H38 F2 O4 -","2","1","","Jiang, Xinhang; Li, En; Chen, Jiean; Huang, Yong","Photo-induced energy transfer relay of N-heterocyclic carbene catalysis: an asymmetric α-fluorination/isomerization cascade.","Chemical communications (Cambridge, England)","2021","57","6","729","732","10.1039/d0cc07264h","","x-ray","1.54184","CuKα","","0.0997","0.0973","","","0.2945","0.2962","","","","","","1.065","","","","has coordinates","261550","2021-02-04","22:38:12",""
"7127568","12.7081","0.0005","13.651","0.0005","19.4888","0.0008","79.924","0.003","82.227","0.004","81.65","0.003","3272.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H98 B3 N4 O4 Y -","- C66 H98 B3 N4 O4 Y -","- C132 H196 B6 N8 O8 Y2 -","2","1","","Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T.","Insights into <i>D</i><sub>4h</sub>@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex.","Chemical communications (Cambridge, England)","2021","57","6","733","736","10.1039/d0cc07446b","","x-ray","0.71073","MoKα","","0.1122","0.0658","","","0.1533","0.1821","","","","","","1.033","","","","has coordinates","261551","2021-02-04","22:38:49",""
"7127569","12.9871","0.0005","27.1689","0.0011","24.3048","0.0011","90","","93.672","0.004","90","","8558.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H124 B3 N4 O6 Y -","- C92 H124 B3 N4 O6 Y -","- C368 H496 B12 N16 O24 Y4 -","4","1","","Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T.","Insights into <i>D</i><sub>4h</sub>@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex.","Chemical communications (Cambridge, England)","2021","57","6","733","736","10.1039/d0cc07446b","","x-ray","0.71073","MoKα","","0.117","0.0593","","","0.0987","0.1153","","","","","","1.04","","","","has coordinates,has disorder","261551","2021-02-04","22:38:51",""
"7127570","23.5114","0.0003","19.5012","0.0003","19.881","0.0003","90","","90","","90","","9115.4","0.2","150","2","150","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C98 H130 B3 Dy N4 O6 -","- C97.5 H130 B3 Dy N4 O6 -","- C390 H520 B12 Dy4 N16 O24 -","4","0.25","","Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T.","Insights into <i>D</i><sub>4h</sub>@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex.","Chemical communications (Cambridge, England)","2021","57","6","733","736","10.1039/d0cc07446b","","x-ray","0.71073","MoKα","","0.0672","0.0629","","","0.1322","0.1342","","","","","","1.181","","","","has coordinates,has disorder","261551","2021-02-04","22:38:51",""
"7127571","12.7769","0.0007","13.6689","0.0007","19.8264","0.0015","107.413","0.006","92.621","0.005","98.825","0.004","3249.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H98 B3 Dy N4 O4 -","- C66 H98 B3 Dy N4 O4 -","- C132 H196 B6 Dy2 N8 O8 -","2","1","","Thomas-Hargreaves, Lewis R; Hunger, David; Kern, Michal; Wooles, Ashley J.; van Slageren, Joris; Chilton, Nicholas F.; Liddle, Stephen T.","Insights into <i>D</i><sub>4h</sub>@metal-symmetry single-molecule magnetism: the case of a dysprosium-bis(boryloxide) complex.","Chemical communications (Cambridge, England)","2021","57","6","733","736","10.1039/d0cc07446b","","x-ray","0.71073","MoKα","","0.1541","0.1325","","","0.3221","0.3354","","","","","","1.119","","","","has coordinates","261551","2021-02-04","22:38:51",""
"7127572","8.5337","0.0013","10.2008","0.0013","11.672","0.002","90.88","0.014","110.076","0.016","114.477","0.014","853.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","","Pawar, Amol Prakash; Yadav, Jyothi; Mir, Nisar Ahmad; Iype, Eldhose; Rangan, Krishnan; Anthal, Sumati; Kant, Rajni; Kumar, Indresh","Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction.","Chemical communications (Cambridge, England)","2021","57","2","251","254","10.1039/d0cc06357f","","","0.71073","MoKα","","0.1945","0.1639","","","0.4595","0.4779","","","","","","1.616","","","","has coordinates","261545","2021-02-04","22:36:43",""
"7127573","10.8918","0.0002","10.9673","0.0002","11.9061","0.0003","90","","102.324","0.002","90","","1389.45","0.05","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Pawar, Amol Prakash; Yadav, Jyothi; Mir, Nisar Ahmad; Iype, Eldhose; Rangan, Krishnan; Anthal, Sumati; Kant, Rajni; Kumar, Indresh","Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction.","Chemical communications (Cambridge, England)","2021","57","2","251","254","10.1039/d0cc06357f","","x-ray","1.54184","CuKα","","0.0433","0.04","","","0.1058","0.1088","","","","","","1.056","","","","has coordinates","261545","2021-02-04","22:36:43",""
"7127574","11.2879","0.0002","7.2732","0.0001","19.0032","0.0003","90","","103.46","0.002","90","","1517.29","0.04","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Pawar, Amol Prakash; Yadav, Jyothi; Mir, Nisar Ahmad; Iype, Eldhose; Rangan, Krishnan; Anthal, Sumati; Kant, Rajni; Kumar, Indresh","Direct catalytic synthesis of β-(C3)-substituted pyrroles: a complementary addition to the Paal-Knorr reaction.","Chemical communications (Cambridge, England)","2021","57","2","251","254","10.1039/d0cc06357f","","x-ray","1.54184","CuKα","","0.0475","0.0442","","","0.1187","0.1213","","","","","","1.082","","","","has coordinates","261545","2021-02-04","22:36:43",""
"7127575","10.3","0.0014","13.359","0.0018","10.7467","0.0014","90","","103.88","0.005","90","","1435.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C64 H60 N12 O12 -","4","1","","Saha, Debarshi; Taily, Irshad Maajid; Naik, Sumitra; Banerjee, Prabal","Electrochemical access to benzimidazolone and quinazolinone derivatives <i>via in situ</i> generation of isocyanates.","Chemical communications (Cambridge, England)","2021","57","5","631","634","10.1039/d0cc07125k","","","0.71073","MoKα","","0.1051","0.052","","","0.133","0.1679","","","","","","1.028","","","","has coordinates","261534","2021-02-04","22:31:10",""
"7127576","5.0971","0.0006","5.3649","0.0007","12.3429","0.0016","99.966","0.005","96.111","0.004","90.897","0.004","330.34","0.07","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","1","1","","Saha, Debarshi; Taily, Irshad Maajid; Naik, Sumitra; Banerjee, Prabal","Electrochemical access to benzimidazolone and quinazolinone derivatives <i>via in situ</i> generation of isocyanates.","Chemical communications (Cambridge, England)","2021","57","5","631","634","10.1039/d0cc07125k","","","0.71073","MoKα","","0.0855","0.0722","","","0.1853","0.2058","","","","","","1.066","","","","has coordinates","261534","2021-02-04","22:31:11",""
"7127577","8.2512","0.0012","10.4301","0.0014","15.81","0.002","80.059","0.006","79.541","0.006","87.359","0.006","1317.8","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 Cl0 N3 O3 -","- C25 H27 N3 O3 -","- C50 H54 N6 O6 -","2","1","","Ranjani, Ganapathy; Nagarajan, Rajagopal","Access to 1-indolyltetrahydro-β-carbolines via metal-free cross-dehydrogenative coupling: the total synthesis of eudistomin U, isoeudistomin U and 19-bromoisoeudistomin U.","Chemical communications (Cambridge, England)","2021","57","6","757","760","10.1039/d0cc06958b","","","0.71073","MoKα","","0.2127","0.0916","","","0.2604","0.322","","","","","","0.884","","","","has coordinates","261548","2021-02-04","22:37:12",""
"7127578","11.0339","0.0009","8.5608","0.0004","27.529","0.002","90","","99.793","0.005","90","","2562.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H42 Bi3 I15 N6 -","- C12 H42 Bi3 I15 N6 -","- C24 H84 Bi6 I30 N12 -","2","1","","Liu, Yu-Hua; Peng, Hang; Liao, Wei-Qiang","A lead-free bismuth iodide organic-inorganic ferroelectric semiconductor.","Chemical communications (Cambridge, England)","2021","57","5","647","650","10.1039/d0cc07443h","","","0.71073","MoKα","","0.0701","0.0528","","","0.0875","0.0949","","","","","","1.001","","","","has coordinates","261537","2021-02-04","22:33:30",""
"7127579","11.18","0.005","8.575","0.004","27.548","0.013","90","","100.185","0.01","90","","2599","2","383","2","383","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H42 Bi3 I15 N6 -","- C12 H42 Bi3 I15 N6 -","- C24 H84 Bi6 I30 N12 -","2","0.5","","Liu, Yu-Hua; Peng, Hang; Liao, Wei-Qiang","A lead-free bismuth iodide organic-inorganic ferroelectric semiconductor.","Chemical communications (Cambridge, England)","2021","57","5","647","650","10.1039/d0cc07443h","","","0.71073","MoKα","","0.0901","0.0725","","","0.1446","0.1557","","","","","","1.002","","","","has coordinates","261537","2021-02-04","22:33:31",""
"7127580","16.8465","0.0011","7.9802","0.0005","14.5677","0.0015","90","","118.616","0.001","90","","1719.2","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(C6H11NC)2Au]PF6","","","- C14 H22 Au F6 N2 P -","- C14 H22 Au F6 N2 P -","- C56 H88 Au4 F24 N8 P4 -","4","0.5","","Luong, Lucy M. C.; Olmstead, Marilyn M.; Balch, Alan L.","A non-luminescent polymorph of [(cyclohexyl isocyanide)<sub>2</sub>Au]PF<sub>6</sub> that becomes luminescent upon grinding or exposure to dichloromethane vapor.","Chemical communications (Cambridge, England)","2021","57","6","793","796","10.1039/d0cc06161a","","","0.71073","MoKα","","0.0128","0.0128","","","0.0315","0.0315","","","","","","1.208","","","","has coordinates","261555","2021-02-04","22:41:00",""
"7127581","6.9526","0.0002","11.2186","0.0003","17.4355","0.0005","88.79","0.002","85.798","0.002","79.513","0.002","1333.59","0.07","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 N8 O5.5 S -","- C7 H11 N8 O5.5 S -","- C28 H44 N32 O22 S4 -","4","2","","Hu, Lu; Staples, Richard J.; Shreeve, Jean'ne M.","Hydrogen bond system generated by nitroamino rearrangement: new character for designing next generation energetic materials.","Chemical communications (Cambridge, England)","2021","57","5","603","606","10.1039/d0cc07101c","","","1.54178","CuKα","","0.0372","0.0344","","","0.092","0.0944","","","","","","1.065","","","","has coordinates","261532","2021-02-04","22:30:31",""
"7127582","16.1653","0.0014","8.6116","0.0007","18.798","0.0016","90","","111.557","0.001","90","","2433.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O4 S2 -","- C26 H26 N2 O4 S2 -","- C104 H104 N8 O16 S8 -","4","1","","Gurram, Ravikumar; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Rapid synthesis of azepinoindole derivatives from tryptamine sulfonamides and bromoallyl sulfones <i>via</i> an acid-mediated cyclization and rearrangement.","Chemical communications (Cambridge, England)","2021","57","5","635","638","10.1039/d0cc06991d","","","0.71073","MoKα","","0.0748","0.0488","","","0.1137","0.1296","","","","","","1.014","","","","has coordinates,has disorder","261533","2021-02-04","22:30:39",""
"7127583","12.745","0.003","8.2887","0.0017","20.697","0.004","90","","104.665","0.003","90","","2115.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O4 S2 -","- C21 H24 N2 O4 S2 -","- C84 H96 N8 O16 S8 -","4","1","","Gurram, Ravikumar; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.","Rapid synthesis of azepinoindole derivatives from tryptamine sulfonamides and bromoallyl sulfones <i>via</i> an acid-mediated cyclization and rearrangement.","Chemical communications (Cambridge, England)","2021","57","5","635","638","10.1039/d0cc06991d","","","0.71073","MoKα","","0.0563","0.0524","","","0.1306","0.1333","","","","","","1.152","","","","has coordinates","261533","2021-02-04","22:30:41",""
"7127584","14.0404","0.0004","14.6915","0.0004","19.3746","0.0006","110.013","0.002","103.982","0.002","95.768","0.001","3569.6","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H68 Fe N20 O4 P2 -","- C76 H68 Fe N20 O4 P2 -","- C152 H136 Fe2 N40 O8 P4 -","2","1","","Su, Qian-Qian; Yuan, Qiong; Wu, Xiao-Fan; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Wang, Li-Xin; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in structurally similar mononuclear 8-coordinate Fe(II) and Fe(III) compounds.","Chemical communications (Cambridge, England)","2021","57","6","781","784","10.1039/d0cc07004a","","","1.54178","CuKα","","0.1387","0.1127","","","0.3116","0.3434","","","","","","1.201","","","","has coordinates","261554","2021-02-04","22:40:25",""
"7127585","19.6724","0.0007","7.939","0.0002","30.9185","0.001","90","","94.775","0.003","90","","4812.1","0.3","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H36 Fe N20 O P -","- C49 H36 Fe N20 O P -","- C196 H144 Fe4 N80 O4 P4 -","4","1","","Su, Qian-Qian; Yuan, Qiong; Wu, Xiao-Fan; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Wang, Li-Xin; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in structurally similar mononuclear 8-coordinate Fe(II) and Fe(III) compounds.","Chemical communications (Cambridge, England)","2021","57","6","781","784","10.1039/d0cc07004a","","","0.71073","MoKα","","0.0911","0.0551","","","0.1468","0.1973","","","","","","0.665","","","","has coordinates","261554","2021-02-04","22:40:26",""
"7127586","12.2527","0.0003","18.7361","0.0005","25.0944","0.0007","90","","94.729","0.002","90","","5741.3","0.3","119.99","0.1","119.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H69 Au N2 O4 P2 -","- C61 H69 Au N2 O4 P2 -","- C244 H276 Au4 N8 O16 P8 -","4","1","","Dhara, Debabrata; Scheschkewitz, David; Chandrasekhar, Vadapalli; Yildiz, Cem B.; Jana, Anukul","Reactivity of NHC/diphosphene-coordinated Au(I)-hydride.","Chemical communications (Cambridge, England)","2021","57","6","809","812","10.1039/d0cc05461e","","x-ray","0.71073","MoKα","","0.0552","0.0445","","","0.0941","0.0979","","","","","","1.046","","","","has coordinates","261549","2021-02-04","22:38:03",""
"7127587","17.382","0.0009","17.2777","0.0007","20.8054","0.0011","90","","112.32","0.006","90","","5780.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H67 Au N2 P2 -","- C63 H67 Au N2 P2 -","- C252 H268 Au4 N8 P8 -","4","1","","Dhara, Debabrata; Scheschkewitz, David; Chandrasekhar, Vadapalli; Yildiz, Cem B.; Jana, Anukul","Reactivity of NHC/diphosphene-coordinated Au(I)-hydride.","Chemical communications (Cambridge, England)","2021","57","6","809","812","10.1039/d0cc05461e","","x-ray","0.71073","MoKα","","0.0789","0.0515","","","0.1022","0.11","","","","","","1.022","","","","has coordinates","261549","2021-02-04","22:38:03",""
"7127588","18.5661","0.0006","16.4929","0.0005","18.7879","0.0007","90","","109.411","0.004","90","","5426","0.3","119.97","0.1","119.97","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H69 Au N4 O2 P2 -","- C59 H69 Au N4 O2 P2 -","- C236 H276 Au4 N16 O8 P8 -","4","1","","Dhara, Debabrata; Scheschkewitz, David; Chandrasekhar, Vadapalli; Yildiz, Cem B.; Jana, Anukul","Reactivity of NHC/diphosphene-coordinated Au(I)-hydride.","Chemical communications (Cambridge, England)","2021","57","6","809","812","10.1039/d0cc05461e","","x-ray","0.71073","MoKα","","0.0918","0.0673","","","0.1674","0.1768","","","","","","1.062","","","","has coordinates","261549","2021-02-04","22:38:03",""
"7127589","11.8644","0.0002","21.3145","0.0004","26.4459","0.0006","80.844","0.002","81.813","0.002","86.997","0.002","6532.2","0.2","120.02","0.1","120.02","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C146 H158 Au2 N8 P4 -","- C146 H158 Au2 N8 P4 -","- C292 H316 Au4 N16 P8 -","2","1","","Dhara, Debabrata; Scheschkewitz, David; Chandrasekhar, Vadapalli; Yildiz, Cem B.; Jana, Anukul","Reactivity of NHC/diphosphene-coordinated Au(I)-hydride.","Chemical communications (Cambridge, England)","2021","57","6","809","812","10.1039/d0cc05461e","","x-ray","0.71073","MoKα","","0.0729","0.0438","","","0.0749","0.0803","","","","","","1.032","","","","has coordinates","261549","2021-02-04","22:38:03",""
"7127592","11.4729","0.0006","13.1325","0.0007","14.8881","0.0008","94.418","0.001","98.352","0.001","95.866","0.002","2198.1","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H69 As3 -","- C45 H69 As3 -","- C90 H138 As6 -","2","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","1.54178","CuKα","","0.0223","0.0215","","","0.0566","0.0573","","","","","","1.035","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127593","18.7002","0.0003","11.2416","0.0002","17.3895","0.0003","90","","90","","90","","3655.62","0.11","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H56 As2 Ti -","- C40 H56 As2 Ti -","- C160 H224 As8 Ti4 -","4","0.5","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","1.54178","CuKα","","0.0247","0.0235","","","0.0628","0.0644","","","","","","1.033","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127594","11.4194","0.0006","11.4914","0.0006","19.9143","0.0011","90","","93.483","0.001","90","","2608.4","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C64 H60 As2 D6 Ti -","- C64 H66 As2 Ti -","- C128 H132 As4 Ti2 -","2","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0314","0.027","","","0.0614","0.0633","","","","","","1.036","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127595","36.358","0.007","9.3907","0.0019","15.843","0.003","90","","91.12","0.03","90","","5408.2","1.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H45 As N2 -","- C24 H39 As N2 -","- C192 H312 As8 N16 -","8","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0512","0.032","","","0.0743","0.0783","","","","","","0.855","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127596","12.0242","0.0012","19.595","0.002","13.3094","0.0014","90","","100.25","0.0018","90","","3085.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 As2 Ti -","- C34 H44 As2 Ti -","- C136 H176 As8 Ti4 -","4","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0448","0.0282","","","0.0569","0.0625","","","","","","1.005","","","","has coordinates,has disorder","261529","2021-02-04","22:29:34",""
"7127597","9.2425","0.0013","9.2425","0.0013","22.02","0.004","90","","90","","120","","1629","0.4","150","2","150","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H35 As N2 -","- C22 H35 As N2 -","- C66 H105 As3 N6 -","3","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0421","0.0286","","","0.0518","0.054","","","","","","0.837","","","","has coordinates","261529","2021-02-04","22:29:34",""
"7127598","11.6003","0.0005","18.1155","0.0007","16.171","0.0006","90","","91.336","0.001","90","","3397.3","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 As3 -","- C36 H51 As3 -","- C144 H204 As12 -","4","1","","Schumann, André; Bresien, Jonas; Fischer, Malte; Hering-Junghans, Christian","Aryl-substituted triarsiranes: synthesis and reactivity.","Chemical communications (Cambridge, England)","2021","57","8","1014","1017","10.1039/d0cc07533g","","","0.71073","MoKα","","0.0341","0.0249","","","0.0581","0.0614","","","","","","1.026","","","","has coordinates,has disorder","261529","2021-02-04","22:29:34",""
"7127603","8.7568","0.0003","16.7646","0.0006","17.6194","0.0006","90","","90","","90","","2586.6","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F7 N2 O4 -","- C25 H25 F7 N2 O4 -","- C100 H100 F28 N8 O16 -","4","1","","Wu, Qiu-Zi; Mao, Yang-Jie; Zhou, Kun; Hao, Hong-Yan; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Regioselective C(sp<sup>3</sup>)-H fluorination of ketones: from methyl to the monofluoromethyl group.","Chemical communications (Cambridge, England)","2021","57","6","765","768","10.1039/d0cc07093a","","","0.71073","MoKα","","0.0798","0.053","","","0.1205","0.1419","","","","","","1.058","","","","has coordinates,has disorder","261547","2021-02-04","22:37:00",""
"7127607","11.5001","0.0007","35.3868","0.0018","16.9363","0.001","90","","93.655","0.002","90","","6878.2","0.7","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H107 Br Co N2 Ni -","- C76 H107 Br Co N2 Ni -","- C304 H428 Br4 Co4 N8 Ni4 -","4","1","","Zimmermann, Philipp; Kilpatrick, Alexander F. R.; Ar, Deniz; Demeshko, Serhiy; Cula, Beatrice; Limberg, Christian","Electron transfer within β-diketiminato nickel bromide and cobaltocene redox couples activating CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","7","875","878","10.1039/d0cc06983c","","","0.71073","MoKα","","0.09","0.0633","","","0.1217","0.1337","","","","","","1.09","","","","has coordinates,has disorder","261560","2021-02-04","22:42:52",""
"7127608","22.236","0.002","9.3616","0.0008","16.9224","0.0018","90","","106.682","0.004","90","","3374.4","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H53 Br N2 Ni -","- C35 H53 Br N2 Ni -","- C140 H212 Br4 N8 Ni4 -","4","0.5","","Zimmermann, Philipp; Kilpatrick, Alexander F. R.; Ar, Deniz; Demeshko, Serhiy; Cula, Beatrice; Limberg, Christian","Electron transfer within β-diketiminato nickel bromide and cobaltocene redox couples activating CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","7","875","878","10.1039/d0cc06983c","","","0.71073","MoKα","","0.0383","0.0309","","","0.0809","0.0849","","","","","","1.043","","","","has coordinates","261560","2021-02-04","22:42:52",""
"7127609","20.8867","0.0013","9.7066","0.0005","23.3746","0.0014","90","","109.046","0.002","90","","4479.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H63 Br Co N2 Ni -","- C45 H63 Br Co N2 Ni -","- C180 H252 Br4 Co4 N8 Ni4 -","4","1","","Zimmermann, Philipp; Kilpatrick, Alexander F. R.; Ar, Deniz; Demeshko, Serhiy; Cula, Beatrice; Limberg, Christian","Electron transfer within β-diketiminato nickel bromide and cobaltocene redox couples activating CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","7","875","878","10.1039/d0cc06983c","","","0.71073","MoKα","","0.0875","0.0618","","","0.1197","0.1302","","","","","","1.099","","","","has coordinates","261560","2021-02-04","22:42:52",""
"7127610","16.501","0.0004","16.5277","0.0004","16.547","0.0003","84.401","0.002","66.537","0.002","69.279","0.002","3866.92","0.17","113","14","113","14","","","","","","","","3","P -1","-P 1","2","","","","- C88 H116 O8 -","- C88 H116 O8 -","- C176 H232 O16 -","2","1","","Dusold, Carolin; Weiss, Corinna; Hampel, Frank; Hirsch, Andreas","Synthesis and crystal packing of perylene-derivatives with extreme sterically demanding pentaphenylbenzene bay-substituents.","Chemical communications (Cambridge, England)","2021","57","5","583","586","10.1039/d0cc07773a","","x-ray","1.54184","CuKα","","0.2198","0.1977","","","0.5463","0.5795","","","","","","2.789","","","","has coordinates,has disorder","261535","2021-02-04","22:32:39",""
"7127611","15.3455","0.0004","18.7629","0.0005","28.321","0.0005","105.764","0.002","95.876","0.002","95.998","0.002","7731.5","0.3","123","0.1","123","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C176 H220 O8 -","- C176 H220 O8 -","- C352 H440 O16 -","2","1","","Dusold, Carolin; Weiss, Corinna; Hampel, Frank; Hirsch, Andreas","Synthesis and crystal packing of perylene-derivatives with extreme sterically demanding pentaphenylbenzene bay-substituents.","Chemical communications (Cambridge, England)","2021","57","5","583","586","10.1039/d0cc07773a","","x-ray","1.54184","CuKα","","0.1572","0.1307","","","0.3528","0.3996","","","","","","1.537","","","","has coordinates,has disorder","261535","2021-02-04","22:32:42",""
"7127612","7.842","0.0003","12.562","0.0004","8.8611","0.0003","90","","109.444","0.004","90","","823.13","0.05","100","0.2","100","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cr P2 -","- C16 H24 Cr P2 -","- C32 H48 Cr2 P4 -","2","0.5","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.0268","0.0252","","","0.0655","0.0667","","","","","","1.091","","","","has coordinates","261536","2021-02-04","22:33:20",""
"7127613","14.2948","0.0007","12.8549","0.0006","8.8448","0.0004","90","","104.364","0.005","90","","1574.5","0.13","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Fe P2 -","- C16 H24 Fe P2 -","- C64 H96 Fe4 P8 -","4","0.5","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.0374","0.0312","","","0.0772","0.0798","","","","","","1.117","","","","has coordinates","261536","2021-02-04","22:33:20",""
"7127614","10.1947","0.0002","14.2373","0.0004","15.0677","0.0003","62.275","0.002","85.84","0.002","87.045","0.002","1930.42","0.08","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Fe K N2 O6 P2 -","- C34 H60 Fe K N2 O6 P2 -","- C68 H120 Fe2 K2 N4 O12 P4 -","2","1","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.054","0.04","","","0.0976","0.1035","","","","","","1.09","","","","has coordinates","261536","2021-02-04","22:33:20",""
"7127615","12.7189","0.0008","15.9437","0.001","17.8937","0.0012","64.066","0.006","85.655","0.005","86.321","0.005","3251.9","0.4","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H104 K2 N4 O13 P2 -","- C56 H104 K2 N4 O13 P2 -","- C112 H208 K4 N8 O26 P4 -","2","1","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.1063","0.0673","","","0.1648","0.1979","","","","","","1.063","","","","has coordinates,has disorder","261536","2021-02-04","22:33:20",""
"7127616","8.0727","0.0002","8.74422","0.00019","18.4065","0.0004","103.174","0.0017","92.6248","0.0019","100.705","0.002","1237.81","0.05","150","0.01","150","0.01","","","","","","","","3","P -1","-P 1","2","","","","- C14 H17 P -","- C14 H17 P -","- C56 H68 P4 -","4","2","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","1.54184","CuKα","","0.0344","0.0329","","","0.089","0.0899","","","","","","1.036","","","","has coordinates","261536","2021-02-04","22:33:20",""
"7127617","20.161","0.003","9.062","0.0004","20.214","0.003","90","","119.71","0.02","90","","3207.6","0.9","100","0.2","100","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 Co2 P4 -","- C32 H48 Co2 P4 -","- C128 H192 Co8 P16 -","4","0.5","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.0491","0.0333","","","0.0775","0.0834","","","","","","1.009","","","","has coordinates","261536","2021-02-04","22:33:20",""
"7127618","10.1994","0.0004","14.2193","0.0007","15.0882","0.0006","62.328","0.004","86.597","0.003","87.156","0.003","1933.91","0.16","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 Cr K N2 O6 P2 -","- C34 H60 Cr K N2 O6 P2 -","- C68 H120 Cr2 K2 N4 O12 P4 -","2","1","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.0459","0.0338","","","0.0816","0.0872","","","","","","1.1","","","","has coordinates","261536","2021-02-04","22:33:20",""
"7127619","14.1554","0.0008","9.6976","0.0004","12.0182","0.0006","90","","112.336","0.006","90","","1526","0.15","150","0.3","150","0.3","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Zr -","- C18 H22 Zr -","- C72 H88 Zr4 -","4","0.5","","Greer, Samuel M.; Üngor, Ökten; Beattie, Ross J.; Kiplinger, Jaqueline L.; Scott, Brian L.; Stein, Benjamin W.; Goodwin, Conrad A. P.","Low-spin 1,1'-diphosphametallocenates of chromium and iron.","Chemical communications (Cambridge, England)","2021","57","5","595","598","10.1039/d0cc06518h","","x-ray","0.71073","MoKα","","0.0383","0.033","","","0.0771","0.0805","","","","","","1.068","","","","has coordinates,has disorder","261536","2021-02-04","22:33:20",""
"7127620","9.6777","0.0015","11.9462","0.0017","14.685","0.002","109.811","0.005","103.891","0.006","102.273","0.005","1468.1","0.4","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H36 Cl4 N2 Pt -","- C30 H36 Cl4 N2 Pt -","- C60 H72 Cl8 N4 Pt2 -","2","1","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0335","0.0289","","","0.0744","0.0776","","","","","","1.047","","","","has coordinates","261528","2021-02-04","22:29:02",""
"7127621","8.856","0.0012","31.71","0.004","12.7673","0.0015","90","","95.735","0.005","90","","3567.4","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C35 H47 Cl N2 O Pt -","- C35 H47 Cl N2 O Pt -","- C140 H188 Cl4 N8 O4 Pt4 -","4","2","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0561","0.0478","","","0.1166","0.1222","","","","","","0.976","","","","has coordinates","261528","2021-02-04","22:29:02",""
"7127622","12.4262","0.0012","7.0266","0.0007","29.895","0.003","90","","93.655","0.004","90","","2604.9","0.4","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Cl N2 Pt -","- C30 H37 Cl N2 Pt -","- C120 H148 Cl4 N8 Pt4 -","4","1","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0428","0.0351","","","0.0803","0.0834","","","","","","1.099","","","","has coordinates,has disorder","261528","2021-02-04","22:29:02",""
"7127623","9.2662","0.0013","12.8513","0.0016","13.063","0.0017","89.934","0.005","86.739","0.005","81.967","0.005","1537.8","0.4","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C34 H45 Cl N2 Pt -","- C34 H45 Cl N2 Pt -","- C68 H90 Cl2 N4 Pt2 -","2","1","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0749","0.0795","","","","","","1.05","","","","has coordinates,has disorder","261528","2021-02-04","22:29:02",""
"7127624","9.7019","0.0007","19.1155","0.0015","14.6419","0.0011","90","","94.022","0.002","90","","2708.8","0.4","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Cl N2 O2 Pt -","- C30 H37 Cl N2 O2 Pt -","- C120 H148 Cl4 N8 O8 Pt4 -","4","1","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0405","0.0295","","","0.0682","0.075","","","","","","0.999","","","","has coordinates","261528","2021-02-04","22:29:02",""
"7127625","12.4019","0.0016","10.494","0.0014","25.54","0.003","90","","102.417","0.005","90","","3246.2","0.7","150","","150","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 Cl3 N2 Pt -","- C35 H43 Cl3 N2 Pt -","- C140 H172 Cl12 N8 Pt4 -","4","1","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.0393","0.0302","","","0.074","0.0795","","","","","","0.934","","","","has coordinates,has disorder","261528","2021-02-04","22:29:02",""
"7127626","8.8293","0.0007","31.745","0.003","12.7745","0.0009","90","","95.744","0.003","90","","3562.5","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C35 H47 Cl N2 O Pt -","- C35 H47 Cl N2 O Pt -","- C140 H188 Cl4 N8 O4 Pt4 -","4","2","","Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François","Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.","Chemical communications (Cambridge, England)","2021","57","8","1038","1041","10.1039/d0cc07307e","","x-ray","0.71073","MoKα","","0.088","0.0783","","","0.1933","0.1999","","","","","","1.071","","","","has coordinates","261528","2021-02-04","22:29:02",""
"7127627","11.599","0.0006","12.8851","0.0009","21.3522","0.0012","101.6","0.005","103.465","0.004","94.762","0.005","3011.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H42 Cd2 F8 N6 O8 -","- C66 H42 Cd2 F8 N6 O8 -","- C132 H84 Cd4 F16 N12 O16 -","2","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","0.71073","MoKα","","0.1114","0.0554","","","0.1037","0.1361","","","","","","1.031","","","","has coordinates","261566","2021-02-04","22:45:59",""
"7127628","11.3948","0.0013","19.656","0.002","21.412","0.003","67.534","0.002","90.301","0.003","73.15","","4204.9","0.9","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H63 Cd3 Cl7 N6 O15 -","- C88 H63 Cd3 Cl7 N6 O15 -","- C176 H126 Cd6 Cl14 N12 O30 -","2","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","0.71073","MoKα","","0.1326","0.0783","","","0.2072","0.2481","","","","","","1.047","","","","has coordinates","261566","2021-02-04","22:45:59",""
"7127629","12.2763","0.0011","12.7413","0.0012","13.7157","0.0013","76.21","0.008","67.384","0.009","63.288","0.009","1763.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cl3 N6 O2 -","- C39 H35 Cl3 N6 O2 -","- C78 H70 Cl6 N12 O4 -","2","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","0.71073","MoKα","","0.1166","0.0788","","","0.1821","0.2138","","","","","","1.064","","","","has coordinates","261566","2021-02-04","22:45:59",""
"7127630","10.8951","0.0005","18.6016","0.0008","19.3051","0.0009","90","","90.318","0.006","90","","3912.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N6 O3 -","- C38 H36 N6 O3 -","- C152 H144 N24 O12 -","4","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","1.54184","CuKα","","0.0573","0.0378","","","0.1015","0.1032","","","","","","1.047","","","","has coordinates","261566","2021-02-04","22:45:59",""
"7127631","41.888","0.016","13.237","0.005","37.521","0.013","90","","102.236","0.013","90","","20332","13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99 H69 Cd3 N15 O24.75 -","- C99 H69 Cd3 N15 O24.75 -","- C792 H552 Cd24 N120 O198 -","8","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","0.71073","MoKα","","0.0606","0.05","","","0.1338","0.144","","","","","","1.107","","","","has coordinates","261566","2021-02-04","22:45:59",""
"7127632","11.2823","0.0007","19.727","0.0013","21.7507","0.0015","67.553","0.001","90.202","0.001","73.38","","4252.4","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H59 Br7 Cd3 N6 O16 -","- C87 H59 Br7 Cd3 N6 O16 -","- C174 H118 Br14 Cd6 N12 O32 -","2","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","0.71073","MoKα","","0.0933","0.0674","","","0.1949","0.216","","","","","","1.043","","","","has coordinates,has disorder","261566","2021-02-04","22:45:59",""
"7127633","11.308","0.005","20.365","0.008","20.908","0.009","110.484","0.005","100.264","0.006","96.098","0.006","4363","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H78 Cd3 N6 O14 -","- C90 H78 Cd3 N6 O14 -","- C180 H156 Cd6 N12 O28 -","2","1","","Wang, Yong; Wang, Meng-Fan; Young, David James; Zhu, Hua; Hu, Fei-Long; Mi, Yan; Qin, Zhen; Chen, Shu Li; Lang, Jian-Ping","Tuning the configuration of the flexible metal-alkene-framework affords pure cycloisomers in solid state photodimerization.","Chemical communications (Cambridge, England)","2021","57","9","1129","1132","10.1039/d0cc06939f","","","0.71073","MoKα","","0.0638","0.0432","","","0.1182","0.1321","","","","","","1.014","","","","has coordinates","261566","2021-02-04","22:45:59",""
"7127634","17.836","0.004","18.86","0.003","19.709","0.004","90","","90","","90","","6630","2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Cl2 N2 Ru2 Zn -","- C32 H42 Cl2 N2 Ru2 Zn -","- C256 H336 Cl16 N16 Ru16 Zn8 -","8","1","","Takemoto, Shin; Yoshii, Kaname; Yamano, Takahiro; Tsurusaki, Akihiro; Matsuzaka, Hiroyuki","Metal-metal multiple bond formation induced by σ-acceptor Lewis acid ligands.","Chemical communications (Cambridge, England)","2021","57","7","923","926","10.1039/d0cc07278h","","","0.71075","MoKα","","0.0359","0.0256","","","0.0619","0.0666","","","","","","1.016","","","","has coordinates","261556","2021-02-04","22:41:42",""
"7127635","10.4804","0.0007","10.774","0.0008","19.5872","0.0014","90.737","0.006","94.454","0.007","104.508","0.007","2133.5","0.3","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H44 Cl2 F6 N2 O6 Ru2 S2 Sn -","- C35 H44 Cl2 F6 N2 O6 Ru2 S2 Sn -","- C70 H88 Cl4 F12 N4 O12 Ru4 S4 Sn2 -","2","1","","Takemoto, Shin; Yoshii, Kaname; Yamano, Takahiro; Tsurusaki, Akihiro; Matsuzaka, Hiroyuki","Metal-metal multiple bond formation induced by σ-acceptor Lewis acid ligands.","Chemical communications (Cambridge, England)","2021","57","7","923","926","10.1039/d0cc07278h","","","0.71075","MoKα","","0.0731","0.0604","","","0.167","0.1718","","","","","","1.315","","","","has coordinates","261556","2021-02-04","22:41:42",""
"7127636","21.678","0.0005","15.5432","0.0004","21.2981","0.0005","90","","94.863","0.007","90","","7150.5","0.3","173","","173","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 Cl F3 N2 O3 Ru2 S Sn -","- C33 H42 Cl F3 N2 O3 Ru2 S Sn -","- C264 H336 Cl8 F24 N16 O24 Ru16 S8 Sn8 -","8","2","","Takemoto, Shin; Yoshii, Kaname; Yamano, Takahiro; Tsurusaki, Akihiro; Matsuzaka, Hiroyuki","Metal-metal multiple bond formation induced by σ-acceptor Lewis acid ligands.","Chemical communications (Cambridge, England)","2021","57","7","923","926","10.1039/d0cc07278h","","","0.71075","MoKα","","0.0679","0.048","","","0.1046","0.1149","","","","","","1.03","","","","has coordinates","261556","2021-02-04","22:41:42",""
"7127637","17.575","0.0006","18.588","0.0006","20.2407","0.0008","90","","90","","90","","6612.3","0.4","296","","296","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Cl2 N2 Pb Ru2 -","- C32 H42 Cl2 N2 Pb Ru2 -","- C256 H336 Cl16 N16 Pb8 Ru16 -","8","1","","Takemoto, Shin; Yoshii, Kaname; Yamano, Takahiro; Tsurusaki, Akihiro; Matsuzaka, Hiroyuki","Metal-metal multiple bond formation induced by σ-acceptor Lewis acid ligands.","Chemical communications (Cambridge, England)","2021","57","7","923","926","10.1039/d0cc07278h","","","0.71075","MoKα","","0.0999","0.044","","","0.0637","0.0741","","","","","","1","","","","has coordinates","261556","2021-02-04","22:41:42",""
"7127638","12.8805","0.0005","11.6857","0.0004","9.66","0.0004","90","","115.998","0.001","90","","1306.87","0.09","296","2","273.15","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Ag3 Ga8 K Se14 -","- Ag3 Ga8 K Se14 -","- Ag6 Ga16 K2 Se28 -","2","0.5","","Li, Jia-Nuo; Yao, Wen-Dong; Li, Xiao-Hui; Liu, Wenlong; Xue, Huai-Guo; Guo, Sheng-Ping","A novel promising infrared nonlinear optical selenide KAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> designed from benchmark AgGaQ<sub>2</sub> (Q = S, Se).","Chemical communications (Cambridge, England)","2021","57","9","1109","1112","10.1039/d0cc07396b","","","0.71073","MoKα","","0.0282","0.025","","","0.0512","0.0526","","","","","","0.919","","","","has coordinates","261565","2021-02-04","22:45:09",""
"7127639","24.4515","0.001","24.4515","0.001","37.034","0.003","90","","90","","90","","22142","2","293","2","293","2","","","","","","","","5","P 42/m c m","-P 4c 2c","132","","","","- C210 H352 Mo12 N16 O82 -","- C76 H36 Mo12 N2 O78 -","- C304 H144 Mo48 N8 O312 -","4","0.25","","Wang, Xin-Ying; Chen, Wei-Chao; Shao, Kui-Zhan; Wang, Xin-Long; Zhao, Liang; Su, Zhong-Min","An octahedral polyoxomolybdate-organic molecular cage.","Chemical communications (Cambridge, England)","2021","57","8","1042","1045","10.1039/d0cc07120j","","","0.71073","MoKα","","0.0781","0.0595","","","0.1761","0.2052","","","","","","1.015","","","","has coordinates","261531","2021-02-04","22:30:23",""
"7127640","24.1759","0.0006","24.1759","0.0006","36.5135","0.0018","90","","90","","90","","21341.2","1.3","173","2","173","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","","","","- C72 H56 Cl10 Cs22 Mo12 O94 -","- C72 H24 Cl3 Cs8.75 Mo12 O87.5 -","- C288 H96 Cl12 Cs35 Mo48 O350 -","4","0.25","","Wang, Xin-Ying; Chen, Wei-Chao; Shao, Kui-Zhan; Wang, Xin-Long; Zhao, Liang; Su, Zhong-Min","An octahedral polyoxomolybdate-organic molecular cage.","Chemical communications (Cambridge, England)","2021","57","8","1042","1045","10.1039/d0cc07120j","","","0.71073","MoKα","","0.091","0.0777","","","0.2308","0.2541","","","","","","1.036","","","","has coordinates,has disorder","261531","2021-02-04","22:30:23",""
"7127641","11.1397","0.0005","15.3727","0.0009","15.8265","0.001","63.174","0.006","76.983","0.005","82.077","0.004","2354.4","0.3","100","2","100","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C48 H57 Cl Cu N4 O6 -","- C48 H57 Cl Cu N4 O6 -","- C96 H114 Cl2 Cu2 N8 O12 -","2","1","","Sarkar, Prasenjit; Sarmah, Amrit; Mukherjee, Chandan","Synthesis, crystallographic and spectroscopic characterization, and theoretical elucidation of an elusive aminyl radical containing a Cu<sup>II</sup>-aminyl-iminosemiquinone complex.","Chemical communications (Cambridge, England)","2021","57","11","1352","1355","10.1039/d0cc07378d","","x-ray","0.71073","MoKα","","0.064","0.0549","","","0.1447","0.1512","","","","","","1.048","","","","has coordinates","262517","2021-03-05","01:24:53",""
"7127642","16.406","0.003","25.363","0.006","23.926","0.012","90","","90","","90","","9956","6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- I14 K4 O51 U2 -","- I14 K4 O51 U2 -","- I112 K32 O408 U16 -","8","2","","Murphy, Gabriel L.; Wang, Yaxing; Kegler, Philip; Wang, Yumin; Wang, Shuao; Alekseev, Evgeny V.","The first actinide polyiodate: a complex multifunctional compound with promising X-ray luminescence properties and proton conductivity.","Chemical communications (Cambridge, England)","2021","57","4","496","499","10.1039/d0cc06835g","","","0.71073","MoKα","","0.0808","0.0547","","","0.1166","0.1317","","","","","","1.059","","","","has coordinates","261539","2021-02-04","22:33:59",""
"7127643","4.901","0.0005","9.8031","0.0013","15.0217","0.0015","98.809","0.01","90.521","0.008","95.037","0.009","710.26","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H34 Cu2 N2 O10 S2 -","- C26 H34 Cu2 N2 O10 S2 -","- C26 H34 Cu2 N2 O10 S2 -","1","0.5","","Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang","A multiaxial molecular ferroelectric with record high <i>T</i><sub>C</sub> designed by intermolecular interaction modulation.","Chemical communications (Cambridge, England)","2021","57","7","943","946","10.1039/d0cc07377f","","","1.54184","CuKα","","0.0702","0.0626","","","0.1574","0.16","","","","","","1.242","","","","has coordinates","261558","2021-02-04","22:42:19",""
"7127644","14.4585","0.0003","13.1776","0.0003","14.7761","0.0003","90","","90","","90","","2815.27","0.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 I3 N2 Zn -","- C8 H17 I3 N2 Zn -","- C64 H136 I24 N16 Zn8 -","8","1","","Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang","A multiaxial molecular ferroelectric with record high <i>T</i><sub>C</sub> designed by intermolecular interaction modulation.","Chemical communications (Cambridge, England)","2021","57","7","943","946","10.1039/d0cc07377f","","","0.71073","MoKα","","0.0632","0.0577","","","0.1838","0.1896","","","","","","1.074","","","","has coordinates","261558","2021-02-04","22:42:23",""
"7127645","9.502","0.0003","12.1104","0.0004","12.4906","0.0004","90","","94.573","0.002","90","","1432.76","0.08","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 F I3 N2 Zn -","- C7 H14 F I3 N2 Zn -","- C28 H56 F4 I12 N8 Zn4 -","4","1","","Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang","A multiaxial molecular ferroelectric with record high <i>T</i><sub>C</sub> designed by intermolecular interaction modulation.","Chemical communications (Cambridge, England)","2021","57","7","943","946","10.1039/d0cc07377f","","","0.71073","MoKα","","0.0426","0.0345","","","0.0876","0.0914","","","","","","1.122","","","","has coordinates","261558","2021-02-04","22:42:23",""
"7127646","19.9308","0.0014","7.8474","0.0005","9.8836","0.0007","90","","90","","90","","1545.84","0.18","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H16 F I3 N2 Zn -","- C8 H16 F I3 N2 Zn -","- C32 H64 F4 I12 N8 Zn4 -","4","1","","Li, Jun-Yi; Xu, Qiu-Ling; Ye, Si-Yu; Tong, Liang; Chen, Xiang; Chen, Li-Zhuang","A multiaxial molecular ferroelectric with record high <i>T</i><sub>C</sub> designed by intermolecular interaction modulation.","Chemical communications (Cambridge, England)","2021","57","7","943","946","10.1039/d0cc07377f","","","0.71073","MoKα","","0.028","0.0274","","","0.0708","0.0712","","","","","","1.108","","","","has coordinates","261558","2021-02-04","22:42:27",""
"7127654","10.292","0.0002","13.7654","0.0002","9.3825","0.0002","90","","108.771","0.002","90","","1258.55","0.04","125.01","0.1","125.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","","Griggs, Samuel D.; Martin-Roncero, Alejandro; Nelson, Adam; Marsden, Stephen P.","Regioselective side-chain amination of 2-alkyl azacycles by radical translocation: total synthesis of tetraponerine T8.","Chemical communications (Cambridge, England)","2021","57","7","919","922","10.1039/d0cc07625b","","x-ray","1.54184","CuKα","","0.0374","0.0328","","","0.0804","0.0842","","","","","","1.045","","","","has coordinates","261557","2021-02-04","22:41:53",""
"7127655","8.427","0.001","13.1722","0.0012","9.2077","0.001","90","","104.737","0.011","90","","988.45","0.19","125.01","0.1","125.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 N2 O2 S -","- C8 H17 N2 O2 S -","- C32 H68 N8 O8 S4 -","4","1","","Griggs, Samuel D.; Martin-Roncero, Alejandro; Nelson, Adam; Marsden, Stephen P.","Regioselective side-chain amination of 2-alkyl azacycles by radical translocation: total synthesis of tetraponerine T8.","Chemical communications (Cambridge, England)","2021","57","7","919","922","10.1039/d0cc07625b","","x-ray","1.54184","CuKα","","0.0947","0.0741","","","0.2024","0.2113","","","","","","1.106","","","","has coordinates,has disorder","261557","2021-02-04","22:41:53",""
"7127656","9.3294","0.0005","20.3329","0.0014","12.2453","0.0009","90","","97.005","0.007","90","","2305.5","0.3","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N2 O3 S -","- C9 H17 N2 O3 S -","- C72 H136 N16 O24 S8 -","8","2","","Griggs, Samuel D.; Martin-Roncero, Alejandro; Nelson, Adam; Marsden, Stephen P.","Regioselective side-chain amination of 2-alkyl azacycles by radical translocation: total synthesis of tetraponerine T8.","Chemical communications (Cambridge, England)","2021","57","7","919","922","10.1039/d0cc07625b","","x-ray","1.54184","CuKα","","0.1114","0.0818","","","0.1841","0.2002","","","","","","1.083","","","","has coordinates","261557","2021-02-04","22:41:53",""
"7127657","9.5439","0.0002","10.6657","0.0002","14.8023","0.0003","86.851","0.002","73.687","0.002","74.975","0.002","1396.4","0.05","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H17.5 B Cl7.5 N O2 -","- C27.5 H17.501 B Cl7.503 N O2 -","- C55 H35.002 B2 Cl15.006 N2 O4 -","2","1","","Nakazato, Takumi; Shinokubo, Hiroshi; Miyake, Yoshihiro","Complexation of 2,7-diazapyrene with boron for structural and electronic tuning.","Chemical communications (Cambridge, England)","2021","57","3","327","330","10.1039/d0cc07804b","","","0.71073","MoKα","","0.0634","0.0551","","","0.1521","0.1579","","","","","","1.097","","","","has coordinates,has disorder","261575","2021-02-04","22:49:07",""
"7127658","17.3635","0.0005","15.4653","0.0005","16.2291","0.0006","90","","90","","90","","4358","0.2","93","2","93","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60.5 H42 B2 N2 O4 -","- C60.5 H42 B2 N2 O4 -","- C242 H168 B8 N8 O16 -","4","1","","Nakazato, Takumi; Shinokubo, Hiroshi; Miyake, Yoshihiro","Complexation of 2,7-diazapyrene with boron for structural and electronic tuning.","Chemical communications (Cambridge, England)","2021","57","3","327","330","10.1039/d0cc07804b","","","0.71073","MoKα","","0.1026","0.0766","","","0.1712","0.1836","","","","","","1.085","","","","has coordinates,has disorder","261575","2021-02-04","22:49:07",""
"7127659","10.2198","0.0006","24.316","0.0012","11.2287","0.0006","90","","104.852","0.006","90","","2697.2","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 F6 N2 O6 S2 -","- C20 H34 F6 N2 O6 S2 -","- C80 H136 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.063","0.0547","","","0.1388","0.1447","","","","","","1.055","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127660","13.286","0.003","16.169","0.003","20.044","0.004","90","","91.44","0.03","90","","4304.5","1.5","170","2","170.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 F6 N2 Sb -","- C18 H32 F6 N2 Sb -","- C144 H256 F48 N16 Sb8 -","8","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.1493","0.0555","","","0.1021","0.1356","","","","","","0.956","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127661","16.0963","0.0007","12.0415","0.0005","14.8878","0.0006","90","","92.041","0.004","90","","2883.8","0.2","173","0.1","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 F6 N2 O6 S2 -","- C24 H36 F6 N2 O6 S2 -","- C96 H144 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.114","0.0954","","","0.2351","0.2437","","","","","","1.091","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127662","10.0062","0.0006","12.0297","0.0005","23.0723","0.0011","90","","90","","90","","2777.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 F6 N2 O6 S2 -","- C21 H36 F6 N2 O6 S2 -","- C84 H144 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.05","0.0427","","","0.1019","0.1052","","","","","","1.034","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127663","9.3676","0.0006","20.7476","0.001","11.0903","0.0007","90","","109.3","0.007","90","","2034.3","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 N2 -","- C22 H38 N2 -","- C88 H152 N8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0833","0.0583","","","0.1533","0.1649","","","","","","1.06","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127664","8.6542","0.0003","11.7196","0.0005","35.017","0.0014","90","","90","","90","","3551.6","0.2","120","0.1","120","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H34 N2 -","- C19 H34 N2 -","- C152 H272 N16 -","8","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0688","0.0511","","","0.1184","0.1258","","","","","","1.056","","","","has coordinates","262470","2021-03-05","01:15:36",""
"7127665","10.4927","0.0003","11.3753","0.0004","12.8459","0.0004","67.712","0.003","72.257","0.003","66.569","0.003","1280.14","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 F6 N2 O6 S2 -","- C20 H30 F6 N2 O6 S2 -","- C40 H60 F12 N4 O12 S4 -","2","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0646","0.0502","","","0.1243","0.1317","","","","","","1.11","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127666","15.7269","0.0005","16.633","0.0003","16.7087","0.0004","90","","90.073","0.002","90","","4370.75","0.19","119.98","0.1","119.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 F3 N2 O3 S -","- C20 H34 F3 N2 O3 S -","- C160 H272 F24 N16 O24 S8 -","8","2","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0482","0.0378","","","0.0894","0.0929","","","","","","1.059","","","","has coordinates","262470","2021-03-05","01:15:36",""
"7127667","15.5683","0.0014","15.5783","0.0014","10.02","0.002","90","","90","","90","","2430.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 F6 N2 Sb -","- C22 H38 F6 N2 Sb -","- C88 H152 F24 N8 Sb4 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0606","0.0396","","","0.098","0.1079","","","","","","0.984","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127668","11.3706","0.0009","8.1457","0.0004","18.6134","0.0011","90","","91.043","0.007","90","","1723.72","0.19","240","2","240","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 N2 -","- C18 H32 N2 -","- C72 H128 N8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0859","0.075","","","0.2041","0.2127","","","","","","1.045","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127669","11.2936","0.0004","16.1144","0.0004","16.1904","0.0005","90","","91.094","0.003","90","","2945.95","0.16","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 F6 N2 O6 S2 -","- C24 H40 F6 N2 O6 S2 -","- C96 H160 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0486","0.0411","","","0.105","0.1091","","","","","","1.054","","","","has coordinates","262470","2021-03-05","01:15:36",""
"7127670","8.9365","0.0002","16.2526","0.0003","18.4341","0.0003","90","","90","","90","","2677.39","0.09","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 F6 N2 O6 S2 -","- C21 H34 F6 N2 O6 S2 -","- C84 H136 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0455","0.0424","","","0.097","0.0984","","","","","","1.124","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127671","22.6175","0.0015","14.6158","0.0008","11.7728","0.0007","90","","100.296","0.002","90","","3829.1","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O -","- C24 H21 N O -","- C192 H168 N8 O8 -","8","1","","Dai, Ling; Yu, Shuling; Shao, Yinlin; Li, Renhao; Chen, Zhongyan; Lv, Ningning; Chen, Jiuxi","Palladium-catalyzed C-H activation of simple arenes and cascade reaction with nitriles: access to 2,4,5-trisubstituted oxazoles.","Chemical communications (Cambridge, England)","2021","57","11","1376","1379","10.1039/d0cc07547g","","","0.71073","MoKα","","0.0762","0.0475","","","0.1132","0.1335","","","","","","1.022","","","","has coordinates","262515","2021-03-05","01:24:34",""
"7127672","9.1878","0.0013","17.217","0.002","15.06","0.002","90","","99.657","0.002","90","","2348.5","0.5","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 O3 -","- C32 H22 O3 -","- C128 H88 O12 -","4","1","","Wu, Jiaoyu; Bai, Lu; Han, Lingbo; Liu, Jingjing; Luan, Xinjun","A chemo- and regioselective Pd(0)-catalyzed three-component spiroannulation.","Chemical communications (Cambridge, England)","2021","57","9","1117","1120","10.1039/d0cc07389j","","","0.71073","MoKα","","0.0738","0.0471","","","0.1069","0.1203","","","","","","0.925","","","","has coordinates","261564","2021-02-04","22:44:41",""
"7127673","12.2505","0.0017","13.305","0.004","14.427","0.002","90","","97.071","0.009","90","","2333.6","0.8","140","2","140","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 O3 -","- C32 H22 O3 -","- C128 H88 O12 -","4","1","","Wu, Jiaoyu; Bai, Lu; Han, Lingbo; Liu, Jingjing; Luan, Xinjun","A chemo- and regioselective Pd(0)-catalyzed three-component spiroannulation.","Chemical communications (Cambridge, England)","2021","57","9","1117","1120","10.1039/d0cc07389j","","","1.34138","GaKα","","0.0398","0.0386","","","0.0942","0.095","","","","","","1.043","","","","has coordinates","261564","2021-02-04","22:44:43",""
"7127674","14.047","0.005","11.407","0.004","16.479","0.005","90","","110.628","0.006","90","","2471.2","1.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O Si -","- C30 H30 O Si -","- C120 H120 O4 Si4 -","4","1","","Wu, Jiaoyu; Bai, Lu; Han, Lingbo; Liu, Jingjing; Luan, Xinjun","A chemo- and regioselective Pd(0)-catalyzed three-component spiroannulation.","Chemical communications (Cambridge, England)","2021","57","9","1117","1120","10.1039/d0cc07389j","","","0.71073","MoKα","","0.108","0.0637","","","0.1726","0.1996","","","","","","1.03","","","","has coordinates","261564","2021-02-04","22:44:53",""
"7127675","23.0769","0.001","6.4038","0.0002","24.0305","0.001","90","","97.876","0.002","90","","3517.7","0.2","170","","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 F N -","- C23 H20 F N -","- C184 H160 F8 N8 -","8","1","","Fu, Zhiyuan; Zhu, Jianping; Guo, Songjin; Lin, Aijun","Palladium-catalyzed allylic alkylation dearomatization of β-naphthols and indoles with <i>gem</i>-difluorinated cyclopropanes.","Chemical communications (Cambridge, England)","2021","57","10","1262","1265","10.1039/d0cc07529a","","","0.71073","MoKα","","0.0915","0.0503","","","0.1025","0.1235","","","","","","1.035","","","","has coordinates","262472","2021-03-05","01:16:00",""
"7127676","9.3789","0.0004","9.718","0.0003","22.5084","0.0009","90","","100.325","0.002","90","","2018.29","0.13","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 F O -","- C27 H23 F O -","- C108 H92 F4 O4 -","4","1","","Fu, Zhiyuan; Zhu, Jianping; Guo, Songjin; Lin, Aijun","Palladium-catalyzed allylic alkylation dearomatization of β-naphthols and indoles with <i>gem</i>-difluorinated cyclopropanes.","Chemical communications (Cambridge, England)","2021","57","10","1262","1265","10.1039/d0cc07529a","","","0.71073","MoKα","","0.1022","0.0519","","","0.1135","0.1435","","","","","","1.02","","","","has coordinates","262472","2021-03-05","01:16:00",""
"7127677","9.3957","0.001","13.3926","0.0015","11.5446","0.0013","90","","100.979","0.002","90","","1426.1","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Hu, Xiao-Qiang; Liu, Zi-Kui; Hou, Ye-Xing; Zhang, Guodong; Gao, Yang","Ru-catalysed C(sp<sup>2</sup>)-H vinylation/annulation of benzoic acids and alkynes: rapid access to medium-sized lactones.","Chemical communications (Cambridge, England)","2021","57","9","1113","1116","10.1039/d0cc07573f","","","0.71073","MoKα","","0.0721","0.0583","","","0.1631","0.1797","","","","","","1.028","","","","has coordinates","261567","2021-02-04","22:46:09",""
"7127678","12.9266","0.0007","11.3139","0.0003","25.9903","0.0012","90","","92.369","0.004","90","","3797.8","0.3","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 F N7 Ni O2 -","- C44 H49 F N7 Ni O2 -","- C176 H196 F4 N28 Ni4 O8 -","4","1","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","1.54178","CuKα","","0.1159","0.0634","","","0.1521","0.1837","","","","","","0.987","","","","has coordinates,has disorder","261553","2021-02-04","22:39:51",""
"7127679","9.3841","0.0004","24.5577","0.0013","14.254","0.0007","90","","98.5049","0.0017","90","","3248.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl2 N7 Ni -","- C36 H33 Cl2 N7 Ni -","- C144 H132 Cl8 N28 Ni4 -","4","1","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0464","0.0326","","","0.0773","0.0839","","","","","","1.031","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127680","14.3923","0.0006","16.9751","0.0006","29.3848","0.0013","90","","90","","90","","7179","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F7 N8 Ni P -","- C38 H36 F7 N8 Ni P -","- C304 H288 F56 N64 Ni8 P8 -","8","1","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0658","0.0384","","","0.0863","0.0982","","","","","","1.021","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127681","11.1857","0.0004","14.8673","0.0005","14.6645","0.0005","90","","109.281","0.0012","90","","2301.94","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 F12 N10 Ni2 P2 -","- C40 H42 Cl2 F12 N10 Ni2 P2 -","- C80 H84 Cl4 F24 N20 Ni4 P4 -","2","0.5","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0375","0.0289","","","0.07","0.0743","","","","","","1.038","","","","has coordinates,has disorder","261553","2021-02-04","22:39:51",""
"7127682","8.7389","0.0005","15.7231","0.0008","30.6187","0.0014","90","","90.9491","0.0016","90","","4206.5","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 Cl2 N5 Ni -","- C20 H21 Cl2 N5 Ni -","- C160 H168 Cl16 N40 Ni8 -","8","4","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0336","0.0278","","","0.06","0.0628","","","","","","1.05","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127683","13.6496","0.0007","25.0037","0.0014","11.8291","0.0006","90","","111.587","0.0019","90","","3754","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br F6 N8 Ni P -","- C38 H36 Br F6 N8 Ni P -","- C152 H144 Br4 F24 N32 Ni4 P4 -","4","1","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0435","0.0351","","","0.1006","0.1053","","","","","","1.041","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127684","13.6446","0.0007","24.7833","0.0011","11.7844","0.0006","90","","111.372","0.0017","90","","3711","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl F6 N8 Ni P -","- C38 H36 Cl F6 N8 Ni P -","- C152 H144 Cl4 F24 N32 Ni4 P4 -","4","1","","Wilson, Jessica R.; Zeller, Matthias; Szymczak, Nathaniel K.","Hydrogen-bonded nickel(I) complexes.","Chemical communications (Cambridge, England)","2021","57","6","753","756","10.1039/d0cc07216h","","","0.71073","MoKα","","0.0443","0.032","","","0.0784","0.0853","","","","","","1.031","","","","has coordinates","261553","2021-02-04","22:39:51",""
"7127685","8.3715","0.0006","33.178","0.003","7.1858","0.0004","90","","90","","90","","1995.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C20 H26 N4 O3 -","- C20 H26 N4 O3 -","- C80 H104 N16 O12 -","4","1","","Gambhir, Diksha; Mondal, Bhaskar; Koner, Rik Rani","Molecular-level insights into the self-assembly driven enantioselective recognition process.","Chemical communications (Cambridge, England)","2021","57","20","2535","2538","10.1039/d0cc06612e","","","1.54184","CuKα","","0.1351","0.1243","","","0.3434","0.3646","","","","","","1.52","","","","has coordinates","263643","2021-04-05","14:01:16",""
"7127686","10.8104","0.0005","5.7783","0.0003","21.3807","0.001","90","","91.903","0.005","90","","1334.82","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N4 O5 -","- C28 H32 N4 O5 -","- C56 H64 N8 O10 -","2","1","","Gambhir, Diksha; Mondal, Bhaskar; Koner, Rik Rani","Molecular-level insights into the self-assembly driven enantioselective recognition process.","Chemical communications (Cambridge, England)","2021","57","20","2535","2538","10.1039/d0cc06612e","","x-ray","1.54184","CuKα","","0.0384","0.0343","","","0.0796","0.0815","","","","","","0.988","","","","has coordinates","263643","2021-04-05","14:01:16",""
"7127687","10.8308","0.0008","5.779","0.0004","21.3692","0.0013","90","","91.933","0.007","90","","1336.76","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H32 N4 O5 -","- C28 H32 N4 O5 -","- C56 H64 N8 O10 -","2","1","","Gambhir, Diksha; Mondal, Bhaskar; Koner, Rik Rani","Molecular-level insights into the self-assembly driven enantioselective recognition process.","Chemical communications (Cambridge, England)","2021","57","20","2535","2538","10.1039/d0cc06612e","","x-ray","1.54184","CuKα","","0.0462","0.0389","","","0.0887","0.0921","","","","","","0.99","","","","has coordinates","263643","2021-04-05","14:01:16",""
"7127691","10.3145","0.0002","10.3145","0.0002","10.3145","0.0002","90","","90","","90","","1097.35","0.04","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- As14 Ba Ge8 -","- As14 Ba Ge8 -","- As28 Ba2 Ge16 -","2","0.0416667","","Weippert, Valentin; Chau, Thanh; Witthaut, Kristian; Eisenburger, Lucien; Johrendt, Dirk","BaGe<sub>8</sub>As<sub>14</sub>: a semiconducting sodalite-type compound.","Chemical communications (Cambridge, England)","2021","57","11","1332","1335","10.1039/d0cc07813a","","","0.71073","MoKα","","0.0132","0.0123","","","0.0301","0.0303","","","","","","1.33","","","","has coordinates","262512","2021-03-05","01:24:04",""
"7127692","10.306","0.0002","10.306","0.0002","10.306","0.0002","90","","90","","90","","1094.64","0.04","218","2","218","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- As14 Ba Ge8 -","- As14 Ba Ge8 -","- As28 Ba2 Ge16 -","2","0.0416667","","Weippert, Valentin; Chau, Thanh; Witthaut, Kristian; Eisenburger, Lucien; Johrendt, Dirk","BaGe<sub>8</sub>As<sub>14</sub>: a semiconducting sodalite-type compound.","Chemical communications (Cambridge, England)","2021","57","11","1332","1335","10.1039/d0cc07813a","","","0.71073","MoKα","","0.012","0.0116","","","0.0373","0.0374","","","","","","1.418","","","","has coordinates","262512","2021-03-05","01:24:04",""
"7127693","10.3052","0.0002","10.3052","0.0002","10.3052","0.0002","90","","90","","90","","1094.38","0.04","189","2","189","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- As14 Ba Ge8 -","- As14 Ba Ge8 -","- As28 Ba2 Ge16 -","2","0.0416667","","Weippert, Valentin; Chau, Thanh; Witthaut, Kristian; Eisenburger, Lucien; Johrendt, Dirk","BaGe<sub>8</sub>As<sub>14</sub>: a semiconducting sodalite-type compound.","Chemical communications (Cambridge, England)","2021","57","11","1332","1335","10.1039/d0cc07813a","","","0.71073","MoKα","","0.0119","0.0119","","","0.0366","0.0366","","","","","","1.431","","","","has coordinates","262512","2021-03-05","01:24:04",""
"7127694","10.2967","0.0002","10.2967","0.0002","10.2967","0.0002","90","","90","","90","","1091.68","0.04","103","2","103","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- As14 Ba Ge8 -","- As14 Ba Ge8 -","- As28 Ba2 Ge16 -","2","0.0416667","","Weippert, Valentin; Chau, Thanh; Witthaut, Kristian; Eisenburger, Lucien; Johrendt, Dirk","BaGe<sub>8</sub>As<sub>14</sub>: a semiconducting sodalite-type compound.","Chemical communications (Cambridge, England)","2021","57","11","1332","1335","10.1039/d0cc07813a","","","0.71073","MoKα","","0.0121","0.0119","","","0.0345","0.0346","","","","","","1.351","","","","has coordinates","262512","2021-03-05","01:24:04",""
"7127695","10.3018","0.0002","10.3018","0.0002","10.3018","0.0002","90","","90","","90","","1093.3","0.04","143","2","143","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","","","- As14 Ba Ge8 -","- As14 Ba Ge8 -","- As28 Ba2 Ge16 -","2","0.0416667","","Weippert, Valentin; Chau, Thanh; Witthaut, Kristian; Eisenburger, Lucien; Johrendt, Dirk","BaGe<sub>8</sub>As<sub>14</sub>: a semiconducting sodalite-type compound.","Chemical communications (Cambridge, England)","2021","57","11","1332","1335","10.1039/d0cc07813a","","","0.71073","MoKα","","0.0119","0.0117","","","0.0364","0.0364","","","","","","1.468","","","","has coordinates","262512","2021-03-05","01:24:04",""
"7127696","17.594","0.003","28.869","0.006","26.289","0.005","90","","90","","90","","13353","4","173","2","173","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C67 H56 F18 Hf7 O24 P8 -","- C67 H56 F18 Hf7 O24 P8 -","- C268 H224 F72 Hf28 O96 P32 -","4","0.25","","Huang, Yan; Zhou, Fan; Feng, Jianshen; Zhao, Hongxia; Qi, Chao; Ji, Jinyan; Bao, Songsong; Zheng, Tao","An ultra-stable hafnium phosphonate MOF platform for comparing the proton conductivity of various guest molecules/ions.","Chemical communications (Cambridge, England)","2021","57","10","1238","1241","10.1039/d0cc07375j","","","0.71073","MoKα","","0.1179","0.1056","","","0.2973","0.3109","","","","","","1.026","","","","has coordinates,has disorder","262469","2021-03-05","01:15:12",""
"7127697","13.1586","0.0007","17.0373","0.001","18.2948","0.001","90","","90","","90","","4101.5","0.4","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 Au B Cl2 N6 -","- C48 H40 Au B Cl2 N6 -","- C192 H160 Au4 B4 Cl8 N24 -","4","1","","Wu, Jiang; Noonikara-Poyil, Anurag; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Gold(I) ethylene complexes supported by electron-rich scorpionates.","Chemical communications (Cambridge, England)","2021","57","8","978","981","10.1039/d0cc07717h","","","0.71073","MoKα","","0.0262","0.0242","","","0.0537","0.0545","","","","","","1.016","","","","has coordinates","261530","2021-02-04","22:29:50",""
"7127698","10.485","0.002","10.623","0.002","18.198","0.004","104.587","0.003","92.945","0.003","102.963","0.003","1899.1","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H62 Au B N6 -","- C35 H62 Au B N6 -","- C70 H124 Au2 B2 N12 -","2","1","","Wu, Jiang; Noonikara-Poyil, Anurag; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Gold(I) ethylene complexes supported by electron-rich scorpionates.","Chemical communications (Cambridge, England)","2021","57","8","978","981","10.1039/d0cc07717h","","","0.71073","MoKα","","0.0308","0.0297","","","0.0792","0.08","","","","","","1.046","","","","has coordinates","261530","2021-02-04","22:30:07",""
"7127699","11.1251","0.0004","11.5573","0.0004","14.9248","0.0005","68.629","0.002","78.582","0.002","61.274","0.002","1566.48","0.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C64 H38 O22 Tb3 -","- C64 H38 O22 Tb3 -","- C64 H38 O22 Tb3 -","1","0.5","","Li, Meiling; Ren, Guojian; Yang, Weiting; Yang, Yonghang; Yang, Weikang; Gao, Yan; Qiu, Pengfei; Pan, Qinhe","Dual-emitting piezofluorochromic dye@MOF for white-light generation.","Chemical communications (Cambridge, England)","2021","57","11","1340","1343","10.1039/d0cc06478e","","","1.54178","CuKα","","0.1193","0.0971","","","0.2691","0.2936","","","","","","1.06","","","","has coordinates,has disorder","262516","2021-03-05","01:24:46",""
"7127700","8.791","0.004","9.87","0.005","17.284","0.009","80.231","0.016","84.537","0.019","68.486","0.013","1374.1","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 As Au Cl O6 -","- C28 H33 As Au Cl O6 -","- C56 H66 As2 Au2 Cl2 O12 -","2","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0505","0.0434","","","0.0943","0.0986","","","","","","0.874","","","","has coordinates","262479","2021-03-05","01:18:06",""
"7127701","9.108","0.005","13.445","0.007","15.796","0.008","70.4","0.014","84.367","0.011","85.551","0.012","1811.4","1.7","93","","93","","","","","","","","","9","P -1","-P 1","2","","","","- C29 H35 As Au Cl3 F6 Na O6 P -","- C29 H35 As Au Cl3 F6 Na O6 P -","- C58 H70 As2 Au2 Cl6 F12 Na2 O12 P2 -","2","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0302","0.0277","","","0.0582","0.0593","","","","","","1.121","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127702","12.303","0.002","20.735","0.002","9.1248","0.0013","90","","110.263","0.006","90","","2183.7","0.5","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 As O4 -","- C24 H25 As O4 -","- C96 H100 As4 O16 -","4","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0384","0.0346","","","0.0875","0.0902","","","","","","1.07","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127703","11.163","0.005","12.784","0.005","13.105","0.006","70.933","0.013","79.936","0.013","78.162","0.015","1718.2","1.3","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H35 As Cl2 F6 Li O7 P -","- C29 H35 As Cl2 F6 Li O7 P -","- C58 H70 As2 Cl4 F12 Li2 O14 P2 -","2","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0367","0.0337","","","0.0859","0.0883","","","","","","1.042","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127704","22.1368","0.001","7.4077","0.0003","21.7648","0.0008","90","","90.278","0.004","90","","3569","0.3","93.15","","93.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C81 H78 As4 Cl2 O8 -","- C81 H78 As4 Cl2 O8 -","- C162 H156 As8 Cl4 O16 -","2","0.5","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71073","MoKα","","0.0587","0.0571","","","0.1667","0.1679","","","","","","1.135","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127705","8.795","0.006","10.171","0.007","13.223","0.009","94.097","0.003","102.5","0.009","110.848","0.008","1064.8","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H21 As Au Cl O3 -","- C22 H21 As Au Cl O3 -","- C44 H42 As2 Au2 Cl2 O6 -","2","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0382","0.0348","","","0.0745","0.0754","","","","","","0.848","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127706","10.898","0.006","15.024","0.008","19.48","0.01","75.414","0.011","83.884","0.013","88.235","0.015","3069","3","93.15","","93.15","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 As F6 K O6 P -","- C28 H33 As F6 K O6 P -","- C112 H132 As4 F24 K4 O24 P4 -","4","2","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0394","0.0353","","","0.089","0.0922","","","","","","1.043","","","","has coordinates,has disorder","262479","2021-03-05","01:18:07",""
"7127707","8.416","0.005","16.272","0.009","27.383","0.015","90","","90","","90","","3750","4","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 As O3 -","- C22 H21 As O3 -","- C176 H168 As8 O24 -","8","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.0706","0.0505","","","0.0976","0.1068","","","","","","1.117","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127708","10.893","0.004","15.216","0.005","19.475","0.007","75.108","0.008","84.069","0.007","87.759","0.009","3102.6","1.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 As F6 O6 P Rb -","- C28 H33 As F6 O6 P Rb -","- C112 H132 As4 F24 O24 P4 Rb4 -","4","2","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.114","0.0957","","","0.2721","0.2874","","","","","","1.036","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127709","10.866","0.009","14.725","0.013","21.75","0.02","71.84","0.03","78.83","0.04","71.16","0.03","3113","5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H33 As F6 Na O6 P -","- C28 H33 As F6 Na O6 P -","- C112 H132 As4 F24 Na4 O24 P4 -","4","2","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.1434","0.1082","","","0.2318","0.2511","","","","","","1.048","","","","has coordinates,has disorder","262479","2021-03-05","01:18:07",""
"7127710","16.789","0.01","8.99","0.005","18.133","0.01","90","","98.208","0.007","90","","2709","3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 As Au Cl3 O4 -","- C25 H27 As Au Cl3 O4 -","- C100 H108 As4 Au4 Cl12 O16 -","4","1","","Sumida, Akifumi; Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Dibenzoarsacrowns: an experimental and computational study on the coordination behaviors.","Chemical communications (Cambridge, England)","2021","57","16","2013","2016","10.1039/d0cc07191a","","","0.71075","MoKα","","0.1179","0.075","","","0.1804","0.2032","","","","","","1.098","","","","has coordinates","262479","2021-03-05","01:18:07",""
"7127711","11.6024","0.0004","12.4641","0.0004","17.0448","0.0005","111.154","0.003","91.945","0.003","97.305","0.003","2271.64","0.14","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C55 H60 B2 N2 O -","- C55 H60 B2 N2 O -","- C110 H120 B4 N4 O2 -","2","1","","Guo, Rui; Jiang, Jingxing; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","Incorporation of H<sub>2</sub>O and CO<sub>2</sub> into a BN-embedded 3<i>aH</i>-3<i>a</i><sup>1</sup><i>H</i>-acephenanthrylene derivative.","Chemical communications (Cambridge, England)","2021","57","10","1226","1229","10.1039/d0cc07276a","","x-ray","1.5478","CuKα","","0.082","0.0618","","","0.148","0.1601","","","","","","1.074","","","","has coordinates","262467","2021-03-05","01:14:44",""
"7127712","8.1757","0.0003","13.4922","0.0006","19.8843","0.0008","86.111","0.004","83.103","0.003","72.919","0.004","2080.25","0.15","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H53 B2 N2 O2 -","- C52 H53 B2 N2 O2 -","- C104 H106 B4 N4 O4 -","2","1","","Guo, Rui; Jiang, Jingxing; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","Incorporation of H<sub>2</sub>O and CO<sub>2</sub> into a BN-embedded 3<i>aH</i>-3<i>a</i><sup>1</sup><i>H</i>-acephenanthrylene derivative.","Chemical communications (Cambridge, England)","2021","57","10","1226","1229","10.1039/d0cc07276a","","x-ray","1.54184","CuKα","","0.1087","0.0743","","","0.1964","0.2211","","","","","","1.04","","","","has coordinates","262467","2021-03-05","01:14:45",""
"7127713","11.1752","0.0004","14.786","0.0005","21.3743","0.0007","81.94","0.003","77.947","0.003","88.914","0.003","3419.6","0.2","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C77 H72 B3 F15 N4 O -","- C77 H72 B3 F15 N4 O -","- C154 H144 B6 F30 N8 O2 -","2","1","","Guo, Rui; Jiang, Jingxing; Ke, Zhuofeng; Tung, Chen-Ho; Kong, Lingbing","Incorporation of H<sub>2</sub>O and CO<sub>2</sub> into a BN-embedded 3<i>aH</i>-3<i>a</i><sup>1</sup><i>H</i>-acephenanthrylene derivative.","Chemical communications (Cambridge, England)","2021","57","10","1226","1229","10.1039/d0cc07276a","","x-ray","1.54184","CuKα","","0.0544","0.042","","","0.1074","0.123","","","","","","1.075","","","","has coordinates","262467","2021-03-05","01:14:45",""
"7127714","13.8176","0.0003","12.4115","0.0002","23.4669","0.0004","90","","97.207","0.007","90","","3992.71","0.14","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H48 N10 O16 Pd Rh2 S6 -","- C18 H48 N10 O16 Pd Rh2 S6 -","- C72 H192 N40 O64 Pd4 Rh8 S24 -","4","1","","Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi","Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.","Chemical communications (Cambridge, England)","2021","57","11","1336","1339","10.1039/d0cc07490j","","","0.71075","MoKα","","0.0258","0.0239","","","0.0606","0.0632","","","","","","1.06","","","","has coordinates","262510","2021-03-05","01:23:44",""
"7127715","9.056","0.0018","12.029","0.002","17.767","0.004","90","","104.27","0.03","90","","1875.7","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H48 N8 O14 Pd Rh2 S6 -","- C18 H48 N8 O14 Pd Rh2 S6 -","- C36 H96 N16 O28 Pd2 Rh4 S12 -","2","0.5","","Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi","Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.","Chemical communications (Cambridge, England)","2021","57","11","1336","1339","10.1039/d0cc07490j","","","0.63","synchrotron","","0.0412","0.0391","","","0.111","0.1126","","","","","","1.126","","","","has coordinates","262510","2021-03-05","01:23:44",""
"7127716","21.241","0.003","20.717","0.003","20.087","0.003","90","","120.014","0.008","90","","7654","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C18 H48 Ag N9 O12 Pd Rh2 S6 -","- C18 H48 Ag N9 O12 Pd Rh2 S6 -","- C144 H384 Ag8 N72 O96 Pd8 Rh16 S48 -","8","1","","Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi","Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.","Chemical communications (Cambridge, England)","2021","57","11","1336","1339","10.1039/d0cc07490j","","","0.7004","synchrotron","","0.144","0.0841","","","0.2268","0.2686","","","","","","0.997","","","","has coordinates","262510","2021-03-05","01:23:44",""
"7127717","9.5252","0.0012","13.7778","0.0018","27.631","0.004","102.207","0.007","96.462","0.007","98.213","0.007","3469.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H48 N8 O8.5 Pd Rh2 S6 -","- C18 H48 N8 O8.5 Pd Rh2 S6 -","- C72 H192 N32 O34 Pd4 Rh8 S24 -","4","2","","Kouno, Masahiro; Kuwamura, Naoto; Konno, Takumi","Interconversion between square-planar palladium(ii) and octahedral palladium(iv) centres in a sulfur-bridged trinuclear structure.","Chemical communications (Cambridge, England)","2021","57","11","1336","1339","10.1039/d0cc07490j","","","0.7004","synchrotron","","0.2074","0.1011","","","0.228","0.2887","","","","","","1.04","","","","has coordinates,has disorder","262510","2021-03-05","01:23:44",""
"7127767","12.3636","0.0017","13.1822","0.0017","22.28","0.003","90","","100.247","0.003","90","","3573.3","0.8","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1a","","- C46 H35 B F2 N2 -","- C46 H35 B F2 N2 -","- C184 H140 B4 F8 N8 -","4","1","","Wang, Sisi; Wang, Zhaoli; Gao, Hu; Jiang, Liang; Liu, Hui; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","Highly regioselective palladium-catalyzed domino reaction for post-functionalization of BODIPY.","Chemical communications (Cambridge, England)","2021","57","14","1758","1761","10.1039/d0cc08163a","","","0.71073","MoKα","","0.0707","0.049","","","0.1236","0.1378","","","","","","0.973","","","","has coordinates","262494","2021-03-05","01:21:04",""
"7127768","12.6316","0.0007","21.8885","0.0014","14.3585","0.0008","90","","103.515","0.006","90","","3860","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2d","","- C50 H43 B F2 N2 -","- C50 H43 B F2 N2 -","- C200 H172 B4 F8 N8 -","4","1","","Wang, Sisi; Wang, Zhaoli; Gao, Hu; Jiang, Liang; Liu, Hui; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","Highly regioselective palladium-catalyzed domino reaction for post-functionalization of BODIPY.","Chemical communications (Cambridge, England)","2021","57","14","1758","1761","10.1039/d0cc08163a","","","0.71073","MoKα","","0.1176","0.086","","","0.1633","0.1849","","","","","","1.069","","","","has coordinates","262494","2021-03-05","01:21:06",""
"7127769","15.7803","0.0006","16.9989","0.0006","21.4911","0.0008","90.149","0.002","91.366","0.002","90.205","0.002","5763.2","0.4","189.99","","189.99","","","","","","","","","5","P -1","-P 1","2","","","","- C136 H142 B2 F4 N4 -","- C136 H142 B2 F4 N4 -","- C272 H284 B4 F8 N8 -","2","1","","Wang, Sisi; Wang, Zhaoli; Gao, Hu; Jiang, Liang; Liu, Hui; Wu, Fan; Zhao, Yue; Chan, Kin Shing; Shen, Zhen","Highly regioselective palladium-catalyzed domino reaction for post-functionalization of BODIPY.","Chemical communications (Cambridge, England)","2021","57","14","1758","1761","10.1039/d0cc08163a","","","1.34138","GaKα","","0.1041","0.0732","","","0.1943","0.2243","","","","","","1.047","","","","has coordinates,has disorder","262494","2021-03-05","01:21:06",""
"7127770","5.8457","0.0008","8.1317","0.0009","16.63","0.002","102.41","0.004","91.559","0.005","99.457","0.005","759.95","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C34 H30 N2 O8 S2 -","2","1","","Wang, Jingjing; Liu, Xue; Wu, Ziyan; Li, Feng; Zhang, Ming-Liang; Mi, Yiman; Wei, Junhao; Zhou, Yao; Liu, Lantao","Ag-Catalyzed ring-opening of tertiary cycloalkanols for C-H functionalization of cyclic aldimines.","Chemical communications (Cambridge, England)","2021","57","12","1506","1509","10.1039/d0cc07181a","","","0.71073","MoKα","","0.0426","0.0342","","","0.0904","0.0947","","","","","","1.044","","","","has coordinates","262519","2021-03-05","01:26:04",""
"7127771","16.556","0.002","5.6598","0.0007","17.572","0.002","90","","115.833","0.004","90","","1482","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 S -","- C16 H13 N O4 S -","- C64 H52 N4 O16 S4 -","4","1","","Wang, Jingjing; Liu, Xue; Wu, Ziyan; Li, Feng; Zhang, Ming-Liang; Mi, Yiman; Wei, Junhao; Zhou, Yao; Liu, Lantao","Ag-Catalyzed ring-opening of tertiary cycloalkanols for C-H functionalization of cyclic aldimines.","Chemical communications (Cambridge, England)","2021","57","12","1506","1509","10.1039/d0cc07181a","","","0.71073","MoKα","","0.1062","0.0588","","","0.1191","0.1332","","","","","","1.072","","","","has coordinates","262519","2021-03-05","01:26:04",""
"7127772","8.911","0.0005","11.1675","0.0006","11.8597","0.0007","108.483","0.0015","97.6582","0.0016","100.322","0.0015","1078.12","0.11","103","2","103","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Cl8 Ni2 O14 P2 -","- C32 H42 Cl8 Ni2 O14 P2 -","- C32 H42 Cl8 Ni2 O14 P2 -","1","0.5","","Yang, Xin; Wei, Rui; Shi, Yaping; Liu, Liu Leo; Wu, Yile; Zhao, Yufen; Stephan, Douglas W.","Oxyphosphoranes as precursors to bridging phosphate-catecholate ligands.","Chemical communications (Cambridge, England)","2021","57","10","1194","1197","10.1039/d0cc07736d","","","1.54178","CuKα","","0.0329","0.0325","","","0.0853","0.0856","","","","","","1.06","","","","has coordinates","262468","2021-03-05","01:14:55",""
"7127773","9.6112","0.0005","11.6372","0.0006","18.137","0.001","90","","99.301","0.002","90","","2001.91","0.18","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl6 O6 P Zr -","- C12 H13 Cl6 O6 P Zr -","- C48 H52 Cl24 O24 P4 Zr4 -","4","1","","Yang, Xin; Wei, Rui; Shi, Yaping; Liu, Liu Leo; Wu, Yile; Zhao, Yufen; Stephan, Douglas W.","Oxyphosphoranes as precursors to bridging phosphate-catecholate ligands.","Chemical communications (Cambridge, England)","2021","57","10","1194","1197","10.1039/d0cc07736d","","","1.54178","CuKα","","0.0306","0.0291","","","0.0777","0.0787","","","","","","1.073","","","","has coordinates","262468","2021-03-05","01:15:01",""
"7127774","12.0697","0.0006","12.2097","0.0006","16.6508","0.0008","72.379","0.001","73.271","0.001","60.546","0.001","2007.62","0.17","199","2","199","","","","","","","","","6","P -1","-P 1","2","","","","- C2.82 H3.53 Cl1.18 O1.65 P0.24 V0.24 -","- C2.82353 H3.52941 Cl1.17647 O1.64706 P0.235294 V0.235294 -","- C48 H60 Cl20 O28 P4 V4 -","17","8.5","","Yang, Xin; Wei, Rui; Shi, Yaping; Liu, Liu Leo; Wu, Yile; Zhao, Yufen; Stephan, Douglas W.","Oxyphosphoranes as precursors to bridging phosphate-catecholate ligands.","Chemical communications (Cambridge, England)","2021","57","10","1194","1197","10.1039/d0cc07736d","","","1.54178","CuKα","","0.0334","0.0331","","","0.0874","0.0876","","","","","","1.051","","","","has coordinates","262468","2021-03-05","01:15:01",""
"7127775","14.4834","0.0009","14.9881","0.0009","15.571","0.001","107.35","0.002","117.247","0.002","98.551","0.002","2701.5","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H58 Cl10 O16 P2 V2 -","- C40 H58 Cl10 O16 P2 V2 -","- C80 H116 Cl20 O32 P4 V4 -","2","1","","Yang, Xin; Wei, Rui; Shi, Yaping; Liu, Liu Leo; Wu, Yile; Zhao, Yufen; Stephan, Douglas W.","Oxyphosphoranes as precursors to bridging phosphate-catecholate ligands.","Chemical communications (Cambridge, England)","2021","57","10","1194","1197","10.1039/d0cc07736d","","","1.54178","CuKα","","0.0438","0.0424","","","0.1157","0.1174","","","","","","1.044","","","","has coordinates","262468","2021-03-05","01:15:01",""
"7127776","42.2108","0.0009","42.2108","0.0009","9.038","0.0003","90","","90","","120","","13946","0.6","150","0.1","150","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C194 H194 F194 Ir194 N194 O P -","- C468 H396 F180 Ir18 N126 P18 -","- C468 H396 F180 Ir18 N126 P18 -","1","0.0555556","","Yang, Jing; Fang, Hao-Ji; Cao, Qian; Mao, Zong-Wan","The design of cyclometalated iridium(iii)-metformin complexes for hypoxic cancer treatment.","Chemical communications (Cambridge, England)","2021","57","9","1093","1096","10.1039/d0cc07104h","","","0.71073","MoKα","","0.0811","0.0654","","","0.1534","0.164","","","","","","1.012","","","","has coordinates","261562","2021-02-04","22:43:46",""
"7127777","20.5397","0.0008","42.5569","0.0012","8.5642","0.0004","90","","90.348","0.004","90","","7485.9","0.5","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","CPDC","hexakis(carboxyphenyl) tri(dithiolylidene)cyclohexanetrione","","- C73 H46 O19 S6 -","- C73 H46 O19 S6 -","- C292 H184 O76 S24 -","4","0.5","","Shivakumar, Kilingaru I.; Noro, Shin-Ichiro; Yamaguchi, Yuna; Ishigaki, Yusuke; Saeki, Akinori; Takahashi, Kiyonori; Nakamura, Takayoshi; Hisaki, Ichiro","A hydrogen-bonded organic framework based on redox-active tri(dithiolylidene)cyclohexanetrione.","Chemical communications (Cambridge, England)","2021","57","9","1157","1160","10.1039/d0cc07776c","","","1.54184","CuKα","","0.0992","0.0671","","","0.1813","0.2048","","","","","","1.006","","","","has coordinates,has disorder","261561","2021-02-04","22:43:06",""
"7127778","22.2753","0.0009","22.2753","0.0009","8.6405","0.0004","90","","90","","120","","3712.9","0.3","225","2","225","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H51 Br6 N12 O12 Sb -","- C36 H51 Br6 N12 O12 Sb -","- C108 H153 Br18 N36 O36 Sb3 -","3","0.166667","","Lin, Fang; Wang, Hao; Lin, Haoran; Liu, Wei; Li, Jing","An antimony based organic-inorganic hybrid coating material with high quantum efficiency and thermal quenching effect.","Chemical communications (Cambridge, England)","2021","57","14","1754","1757","10.1039/d0cc07392j","","","1.34139","GaKα","","0.0542","0.054","","","0.1649","0.165","","","","","","1.124","","","","has coordinates","262498","2021-03-05","01:21:37",""
"7127779","7.6931","0.0007","17.523","0.0015","30.345","0.003","90","","90","","90","","4090.7","0.7","298","2","298","","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C20 H14 Br Cl Mn N3 O4 -","- C20 H14 Br Cl Mn N3 O4 -","- C160 H112 Br8 Cl8 Mn8 N24 O32 -","8","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Sameera, W. M. C.; Rue, Kelly; Mascharak, Pradip","CO release from Mn(i)-based photoCORMs with single photons in the phototherapeutic region.","Chemical communications (Cambridge, England)","2021","57","9","1101","1104","10.1039/d0cc07405e","","","0.71073","MoKα","","0.1397","0.0796","","","0.1429","0.1625","","","","","","1.121","","","","has coordinates","261563","2021-02-04","22:44:00",""
"7127780","13.6697","0.0017","22.226","0.003","8.017","0.001","90","","99.76","0.003","90","","2400.5","0.5","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25.75 H18 Br1.25 Cl0.25 Mn N4 O2.75 S -","- C25.823 H18 Br1.177 Mn N4 O2.823 S -","- C103.292 H72 Br4.708 Mn4 N16 O11.292 S4 -","4","1","","Stenger-Smith, Jenny; Chakraborty, Indranil; Ouattara, Ramatoulaye; Sameera, W. M. C.; Rue, Kelly; Mascharak, Pradip","CO release from Mn(i)-based photoCORMs with single photons in the phototherapeutic region.","Chemical communications (Cambridge, England)","2021","57","9","1101","1104","10.1039/d0cc07405e","","","0.71073","MoKα","","0.1786","0.1002","","","0.1639","0.1929","","","","","","1.043","","","","has coordinates,has disorder","261563","2021-02-04","22:44:12",""
"7127781","8.3888","0.0011","9.2869","0.0012","23.322","0.004","90","","90","","90","","1816.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Wu, Hui-Chun; Wang, Chen; Chen, Ying-Han; Liu, Yan-Kai","Asymmetric organocatalytic vinylogous Michael addition triggered triple-cascade reactions of 2-hydroxycinnamaldehydes and vinylogous nucleophiles: construction of benzofused oxabicyclo[3.3.1]nonane scaffolds.","Chemical communications (Cambridge, England)","2021","57","14","1762","1765","10.1039/d0cc07761e","","","1.54184","CuKα","","0.1658","0.0831","","","0.1456","0.2058","","","","","","1.018","","","","has coordinates","262500","2021-03-05","01:21:55",""
"7127782","20.069","0.003","11.785","0.002","16.398","0.003","90","","97.014","0.002","90","","3849.3","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H44 Cl10 N8 Pb3 -","- C20 H40 Cl10 N8 Pb3 -","- C80 H160 Cl40 N32 Pb12 -","4","0.5","","Zhao, Jian-Qiang; Sun, Chen; Yue, Meng; Meng, Yan; Zhao, Xian-Mei; Zeng, Le-Ran; Chen, Guang; Yue, Cheng-Yang; Lei, Xiao-Wu","Lead chlorine cluster assembled one-dimensional halide with highly efficient broadband white-light emission.","Chemical communications (Cambridge, England)","2021","57","10","1218","1221","10.1039/d0cc05570k","","","0.71073","MoKα","","0.0339","0.0244","","","0.0499","0.0521","","","","","","1.033","","","","has coordinates","262471","2021-03-05","01:15:44",""
"7127783","11.8725","0.0002","16.7463","0.0003","42.5496","0.0008","90","","94.892","0.001","90","","8428.9","0.3","170","2","170.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H87 Cl9 N12 -","- C84 H87 Cl9 N12 -","- C336 H348 Cl36 N48 -","4","1","","Xu, Kui; Zhang, Xiaoshuai; Liu, Guopeng; Ma, Wanzun; Yin, Yu; Yin, Ying; Chen, Xi; Zhao, Xinyun; Sessler, Jonathan L.; Zhang, Zhan","Pyridazine-bridged expanded rosarin and semi-rosarinogen.","Chemical communications (Cambridge, England)","2021","57","12","1486","1489","10.1039/d0cc07433k","","","1.34139","GaKα","","0.0895","0.0768","","","0.2152","0.226","","","","","","1.037","","","","has coordinates","262518","2021-03-05","01:25:57",""
"7127784","6.5368","0.0003","10.9882","0.0006","12.5935","0.0007","114.913","0.002","91.931","0.003","96.868","0.003","810.95","0.08","298.15","","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H11 B Cl2 F2 N2 O -","- C16 H11 B Cl2 F2 N2 O -","- C32 H22 B2 Cl4 F4 N4 O2 -","2","1","","Li, Heng; Lv, Fan; Guo, Xing; Wu, Qinghua; Wu, Hao; Tang, Bing; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Hao, Erhong","Direct C-H alkoxylation of BODIPY dyes via cation radical accelerated oxidative nucleophilic hydrogen substitution: a new route to building blocks for functionalized BODIPYs.","Chemical communications (Cambridge, England)","2021","57","13","1647","1650","10.1039/d0cc07961h","","","0.71073","MoKα","","0.1326","0.1057","","","0.1693","0.1792","","","","","","1.26","","","","has coordinates","262491","2021-03-05","01:20:25",""
"7127785","7.0336","0.0002","11.3399","0.0004","14.7341","0.0005","70.182","0.001","78.632","0.001","82.152","0.001","1080.8","0.06","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H15 B Cl2 F2 N2 O -","- C22 H15 B Cl2 F2 N2 O -","- C44 H30 B2 Cl4 F4 N4 O2 -","2","1","","Li, Heng; Lv, Fan; Guo, Xing; Wu, Qinghua; Wu, Hao; Tang, Bing; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Hao, Erhong","Direct C-H alkoxylation of BODIPY dyes via cation radical accelerated oxidative nucleophilic hydrogen substitution: a new route to building blocks for functionalized BODIPYs.","Chemical communications (Cambridge, England)","2021","57","13","1647","1650","10.1039/d0cc07961h","","","0.71073","MoKα","","0.0764","0.0506","","","0.1308","0.1489","","","","","","1.036","","","","has coordinates","262491","2021-03-05","01:20:26",""
"7127786","14","0.0006","12.6326","0.0005","14.1556","0.0005","90","","112.884","0.002","90","","2306.47","0.16","273.15","","273.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 B Cl2 F2 N2 O3 S -","- C22 H15 B Cl2 F2 N2 O3 S -","- C88 H60 B4 Cl8 F8 N8 O12 S4 -","4","1","","Li, Heng; Lv, Fan; Guo, Xing; Wu, Qinghua; Wu, Hao; Tang, Bing; Yu, Changjiang; Wang, Hua; Jiao, Lijuan; Hao, Erhong","Direct C-H alkoxylation of BODIPY dyes via cation radical accelerated oxidative nucleophilic hydrogen substitution: a new route to building blocks for functionalized BODIPYs.","Chemical communications (Cambridge, England)","2021","57","13","1647","1650","10.1039/d0cc07961h","","","0.71073","MoKα","","0.1184","0.0638","","","0.1368","0.1671","","","","","","1.019","","","","has coordinates","262491","2021-03-05","01:20:26",""
"7127787","10.1721","0.0004","9.702","0.0003","14.1513","0.0006","90","","109.467","0.004","90","","1316.75","0.09","294.82","0.1","294.82","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H22 F O2 P -","- C27 H22 F O2 P -","- C54 H44 F2 O4 P2 -","2","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0576","0.0433","","","0.0926","0.1005","","","","","","0.966","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127788","9.9203","0.0002","9.7787","0.0002","13.8908","0.0003","90","","103.935","0.002","90","","1307.86","0.05","172.9","0.1","172.9","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H23 Cl3 F O2 P -","- C28 H23 Cl3 F O2 P -","- C56 H46 Cl6 F2 O4 P2 -","2","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0414","0.0404","","","0.1077","0.1089","","","","","","1.047","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127789","6.20266","0.00014","17.5076","0.0003","19.9155","0.0005","90","","90","","90","","2162.7","0.08","293.3","0.1","293.3","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F O2 P -","- C26 H19 Br F O2 P -","- C104 H76 Br4 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.039","0.0344","","","0.0843","0.0877","","","","","","1.04","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127790","9.2255","0.0005","12.6121","0.0007","18.2822","0.0012","90","","90","","90","","2127.2","0.2","293.57","0.1","293.57","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F O2 P -","- C26 H20 F O2 P -","- C104 H80 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0879","0.081","","","0.2258","0.2369","","","","","","1.069","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127791","6.2073","0.0003","17.5063","0.0006","19.9264","0.0009","90","","90","","90","","2165.34","0.16","293.44","0.1","293.44","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F O2 P -","- C26 H19 Br F O2 P -","- C104 H76 Br4 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0432","0.0323","","","0.0686","0.0778","","","","","","0.991","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127792","9.4706","0.0007","12.3535","0.0014","19.12","0.002","90","","90","","90","","2236.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F O2 P -","- C27 H22 F O2 P -","- C108 H88 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0748","0.0532","","","0.1382","0.1728","","","","","","1.098","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127793","10.0306","0.0003","9.5877","0.0002","14.074","0.0004","90","","109.455","0.003","90","","1276.22","0.06","292.31","0.1","292.31","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H25 F2 O3 P -","- C29 H25 F2 O3 P -","- C58 H50 F4 O6 P2 -","2","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0395","0.0355","","","0.0934","0.0976","","","","","","1.053","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127794","8.021","0.0006","9.7257","0.0008","11.0936","0.0008","81.88","0.006","81.526","0.006","66.712","0.008","782.94","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H18 F O2 P -","- C18 H18 F O2 P -","- C36 H36 F2 O4 P2 -","2","2","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0603","0.0573","","","0.1652","0.1694","","","","","","1.061","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127795","7.3707","0.0001","10.3546","0.0001","8.6086","0.0001","90","","108.874","0.001","90","","621.688","0.013","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,8bR)-3a-phenyl-3,3a,5,8b-tetrahydro-1H-furo[3,2-d]thieno[3,4-b]pyran","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C30 H28 O4 S2 -","2","1","","Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes.","Chemical communications (Cambridge, England)","2021","57","13","1667","1670","10.1039/d0cc07765h","","x-ray","1.54184","CuKα","","0.0194","0.0194","","","0.0511","0.0511","","","","","","1.054","","","","has coordinates","262489","2021-03-05","01:20:09",""
"7127796","8.0197","0.0001","9.6836","0.0001","10.155","0.0002","63.873","0.002","83.678","0.001","84.07","0.001","702.42","0.02","100","","100","","","","","","","","","4","P 1","P 1","1","","(3R,4R)-4-(2-(hydroxymethyl)thiophen-3-yl)-3-phenyltetrahydrothiophen-3-ol","","- C15 H16 O2 S2 -","- C15 H16 O2 S2 -","- C30 H32 O4 S4 -","2","2","","Skrzyńska, Anna; Frankowski, Sebastian; Topolska, Aleksandra; Dyguda, Mateusz; Gao, Xin-Yue; Xu, Chang-Jiang; Chen, Ying-Chun; Albrecht, Łukasz","Enantioselective H-bond-directed vinylogous iminium ion strategy for the functionalization of vinyl-substituted heteroaryl aldehydes.","Chemical communications (Cambridge, England)","2021","57","13","1667","1670","10.1039/d0cc07765h","","x-ray","1.54184","CuKα","","0.0293","0.0293","","","0.0738","0.0738","","","","","","1.047","","","","has coordinates","262489","2021-03-05","01:20:10",""
"7127797","7.3649","0.0007","10.1031","0.0009","12.6796","0.0011","73.123","0.001","89.989","0.002","85.119","0.002","899.26","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 Br Cl3 O -","- C19 H10 Br Cl3 O -","- C38 H20 Br2 Cl6 O2 -","2","1","","Wu, Dan; Hao, Wen-Juan; Rao, Qian; Lu, Yi; Tu, Shu-Jiang; Jiang, Bo","Engaging 1,7-diynes in a photocatalytic Kharasch-type addition/1,5-(S<sub>N</sub>'')-substitution cascade toward β-gem-dihalovinyl carbonyls.","Chemical communications (Cambridge, England)","2021","57","15","1911","1914","10.1039/d0cc07880h","","","0.71073","MoKα","","0.1012","0.0635","","","0.169","0.1806","","","","","","1.039","","","","has coordinates","262503","2021-03-05","01:22:23",""
"7127798","9.0114","0.0008","10.0086","0.0009","12.9721","0.0011","99.895","0.002","92.668","0.001","107.318","0.003","1094.37","0.17","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H17 Br Cl F2 I O3 -","- C22 H17 Br Cl F2 I O3 -","- C44 H34 Br2 Cl2 F4 I2 O6 -","2","1","","Wu, Dan; Hao, Wen-Juan; Rao, Qian; Lu, Yi; Tu, Shu-Jiang; Jiang, Bo","Engaging 1,7-diynes in a photocatalytic Kharasch-type addition/1,5-(S<sub>N</sub>'')-substitution cascade toward β-gem-dihalovinyl carbonyls.","Chemical communications (Cambridge, England)","2021","57","15","1911","1914","10.1039/d0cc07880h","","","0.71073","MoKα","","0.0838","0.0642","","","0.1806","0.1958","","","","","","1.056","","","","has coordinates","262503","2021-03-05","01:22:23",""
"7127799","19.8031","0.0011","22.211","0.0012","17.0555","0.0009","90","","96.387","0.002","90","","7455.2","0.7","173","2","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36.5 H32 Cl4 F3 O P2 Re -","- C36.5 H32 Cl4 F3 O P2 Re -","- C292 H256 Cl32 F24 O8 P16 Re8 -","8","1","","Bao, Xiao; Li, Yang; Bai, Wei; Zhou, Yan; Wang, Yilun; Sun, Yue; Jiang, Jingyang","One-pot syntheses of rhena-2-benzopyrylium complexes with a fused metallacyclopropene unit.","Chemical communications (Cambridge, England)","2021","57","13","1643","1646","10.1039/d0cc07749f","","","0.71073","MoKα","","0.1042","0.0556","","","0.1157","0.1278","","","","","","1.01","","","","has coordinates,has disorder","262492","2021-03-05","01:20:37",""
"7127800","17.1481","0.0006","11.9633","0.0007","17.0822","0.0006","90","","108.29","0.004","90","","3327.3","0.3","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Cl3 O P2 Re -","- C36 H34 Cl3 O P2 Re -","- C144 H136 Cl12 O4 P8 Re4 -","4","1","","Bao, Xiao; Li, Yang; Bai, Wei; Zhou, Yan; Wang, Yilun; Sun, Yue; Jiang, Jingyang","One-pot syntheses of rhena-2-benzopyrylium complexes with a fused metallacyclopropene unit.","Chemical communications (Cambridge, England)","2021","57","13","1643","1646","10.1039/d0cc07749f","","x-ray","0.71073","MoKα","","0.0387","0.0303","","","0.0664","0.0693","","","","","","1.023","","","","has coordinates","262492","2021-03-05","01:20:37",""
"7127801","14.1901","0.0008","13.1981","0.0009","9.2973","0.0006","90","","103.858","0.006","90","","1690.54","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Cl F N O -","- C21 H13 Cl F N O -","- C84 H52 Cl4 F4 N4 O4 -","4","1","","Gao, Chao; Xu, Jian; Zhu, Shuxian; Jian, Kaixia; Xuan, Qingqing; Song, Qiuling","Preparation of anthranils via chemoselective oxidative radical cyclization of 3-(2-azidoaryl) substituted propargyl alcohols.","Chemical communications (Cambridge, England)","2021","57","16","2037","2040","10.1039/d0cc07919g","","x-ray","0.71073","MoKα","","0.1221","0.0549","","","0.1406","0.1912","","","","","","0.92","","","","has coordinates","262480","2021-03-05","01:18:14",""
"7127802","27.083","0.003","8.0051","0.001","15.9067","0.0019","90","","90","","90","","3448.6","0.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","dDTCB","","- C36 H12 B2 F18 S4 -","- C36 H12 B2 F18 S4 -","- C144 H48 B8 F72 S16 -","4","0.5","","Adachi, Yohei; Nomura, Takanori; Tazuhara, Shion; Naito, Hiroyoshi; Ohshita, Joji","Thiophene-based twisted bistricyclic aromatic ene with tricoordinate boron: a new n-type semiconductor.","Chemical communications (Cambridge, England)","2021","57","11","1316","1319","10.1039/d0cc07952a","","","0.71073","MoKa","","0.0473","0.0402","","","0.0954","0.0995","","","","","","1.118","","","","has coordinates","262513","2021-03-05","01:24:11",""
"7127803","11.994","0.004","12.841","0.005","16.952","0.006","96.769","0.008","100.451","0.008","97.043","0.008","2521.8","1.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 Br2 N4 O5 -","- C62 H44 Br2 N4 O5 -","- C124 H88 Br4 N8 O10 -","2","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.2037","0.0877","","","0.1633","0.2056","","","","","","1.029","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127804","9.9178","0.0002","25.087","0.0005","18.0566","0.0004","90","","99.668","0.001","90","","4428.82","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Br N2 O3 -","- C28 H17 Br N2 O3 -","- C224 H136 Br8 N16 O24 -","8","2","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0465","0.0326","","","0.0822","0.09","","","","","","0.994","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127805","17.544","0.005","16.528","0.004","9.324","0.003","90","","113.87","0.007","90","","2472.4","1.2","200","2","200","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H22 Br Cl N2 O2 -","- C28 H22 Br Cl N2 O2 -","- C112 H88 Br4 Cl4 N8 O8 -","4","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0751","0.0434","","","0.0899","0.1008","","","","","","0.994","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127806","30.7223","0.001","6.9755","0.0002","27.9045","0.0009","90","","115.528","0.001","90","","5396.2","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 Br Cl N2 O3 -","- C30 H20 Br Cl N2 O3 -","- C240 H160 Br8 Cl8 N16 O24 -","8","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0909","0.0702","","","0.1844","0.1973","","","","","","0.994","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127807","17.2881","0.0007","16.3136","0.0007","9.3609","0.0004","90","","113.239","0.001","90","","2425.87","0.18","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H23 Br N2 O2 -","- C28 H23 Br N2 O2 -","- C112 H92 Br4 N8 O8 -","4","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0674","0.0405","","","0.0834","0.0949","","","","","","0.996","","","","has coordinates,has disorder","262484","2021-03-05","01:19:11",""
"7127808","8.3291","0.0007","9.2178","0.0007","16.6899","0.0015","79.558","0.002","87.777","0.003","74.713","0.002","1215.52","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H19 Br N2 O3 -","- C30 H19 Br N2 O3 -","- C60 H38 Br2 N4 O6 -","2","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.045","0.0378","","","0.0978","0.1037","","","","","","1.001","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127809","10.0157","0.0003","12.5956","0.0004","26.5786","0.0008","90","","91.122","0.001","90","","3352.35","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H42 Br N2 O2 P -","- C35 H42 Br N2 O2 P -","- C140 H168 Br4 N8 O8 P4 -","4","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0657","0.0461","","","0.1198","0.1292","","","","","","1.108","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127810","9.7575","0.0013","10.9781","0.0014","12.4931","0.0014","70.686","0.003","73.323","0.003","72.669","0.003","1178.9","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br N2 O3 -","- C28 H23 Br N2 O3 -","- C56 H46 Br2 N4 O6 -","2","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.0375","0.0305","","","0.0797","0.0841","","","","","","1.004","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127811","7.0854","0.0002","18.2878","0.0006","19.8064","0.0007","90","","98.989","0.001","90","","2534.92","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 Br N2 O3 -","- C30 H21 Br N2 O3 -","- C120 H84 Br4 N8 O12 -","4","1","","Edukondalu, Athukuri; Vagh, Sandip Sambhaji; Lin, Ting-Han; Lin, Wenwei","Construction of indeno[1,2-b]pyrroles via chemoselective N-acylation/cyclization/Wittig reaction sequence.","Chemical communications (Cambridge, England)","2021","57","16","2045","2048","10.1039/d0cc08184a","","","0.71073","MoKα","","0.051","0.0333","","","0.0703","0.0786","","","","","","1.017","","","","has coordinates","262484","2021-03-05","01:19:11",""
"7127812","8.5021","0.0003","18.0429","0.0006","19.2698","0.0007","90","","90","","90","","2956.04","0.18","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 I Mg N2 O -","- C29 H43 I Mg N2 O -","- C116 H172 I4 Mg4 N8 O4 -","4","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.0589","0.0384","","","0.0521","0.0584","","","","","","1.001","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127813","8.395","0.0002","12.081","0.0003","11.1318","0.0002","90","","96.59","0.002","90","","1121.53","0.04","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 N2 -","- C25 H34 N2 -","- C50 H68 N4 -","2","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","1.54184","CuKα","","0.0542","0.0496","","","0.1266","0.1308","","","","","","1.044","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127814","14.8055","0.0004","18.0071","0.0004","19.8803","0.0006","90","","90","","90","","5300.2","0.2","123","2","123","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C114 H154 Mg5 N8 -","- C114 H154 Mg5 N8 -","- C228 H308 Mg10 N16 -","2","0.25","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.0337","0.0307","","","0.0751","0.0764","","","","","","1.052","","","","has coordinates,has disorder","262486","2021-03-05","01:19:40",""
"7127815","13.2573","0.0008","23.7844","0.0017","14.6312","0.0011","90","","105.348","0.002","90","","4448.9","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C108 H124 Mg2 N4 O4 -","- C108 H124 Mg2 N4 O4 -","- C216 H248 Mg4 N8 O8 -","2","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.1724","0.0843","","","0.1762","0.2204","","","","","","0.974","","","","has coordinates,has disorder","262486","2021-03-05","01:19:40",""
"7127816","9.3482","0.0001","11.4823","0.0002","12.0801","0.0002","109.948","0.002","97.683","0.001","99.626","0.001","1175.98","0.04","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H66 Mg2 N4 -","- C50 H66 Mg2 N4 -","- C50 H66 Mg2 N4 -","1","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.0287","0.0278","","","0.0755","0.076","","","","","","1.029","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127817","17.043","0.001","10.651","0.0007","20.583","0.0013","90","","96.752","0.002","90","","3710.4","0.4","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H46 N2 -","- C46 H46 N2 -","- C184 H184 N8 -","4","2","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.1414","0.0683","","","0.1094","0.1334","","","","","","1.061","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127818","31.063","0.016","11.549","0.006","14.001","0.008","90","","96.663","0.009","90","","4989","5","301","2","301","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N2 O6 -","- C27 H28 N2 O6 -","- C216 H224 N16 O48 -","8","1","","D, Basavaraja; M S, Ajay Krishna; Krishnan, Jagadeesh; C S, Athira; R R, Amrutha; Suresh, Eringathodi; Somappa, Sasidhar B.","Base-enabled access to diastereoselective spirofuran oxindoles and γ-functionalized allenoates.","Chemical communications (Cambridge, England)","2021","57","14","1746","1749","10.1039/d0cc07715a","","","0.71073","MoKα","","0.0758","0.054","","","0.1281","0.1346","","","","","","0.804","","","","has coordinates","262495","2021-03-05","01:21:15",""
"7127819","11.1365","0.0003","7.2858","0.0002","19.8596","0.0005","90","","94.708","0.001","90","","1605.94","0.07","177","2","177","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C32 H32 Cl2 N2 O8 -","- C32 H32 Cl2 N2 O8 -","- C64 H64 Cl4 N4 O16 -","2","0.5","","D, Basavaraja; M S, Ajay Krishna; Krishnan, Jagadeesh; C S, Athira; R R, Amrutha; Suresh, Eringathodi; Somappa, Sasidhar B.","Base-enabled access to diastereoselective spirofuran oxindoles and γ-functionalized allenoates.","Chemical communications (Cambridge, England)","2021","57","14","1746","1749","10.1039/d0cc07715a","","","0.71073","MoKα","","0.0769","0.0462","","","0.1172","0.1404","","","","","","1.056","","","","has coordinates","262495","2021-03-05","01:21:18",""
"7127820","10.8944","0.0001","13.3916","0.0001","14.6339","0.0001","113.179","0.001","99.6","0.001","103.856","0.001","1822.23","0.03","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Br3 N2 O8 -","- C28 H38 Br3 N2 O8 -","- C56 H76 Br6 N4 O16 -","2","1","","Knight, Brian J.; Tolchin, Zachary A.; Smith, Joel M.","A predictive model for additions to <i>N</i>-alkyl pyridiniums.","Chemical communications (Cambridge, England)","2021","57","21","2693","2696","10.1039/d1cc00056j","","x-ray","1.54184","CuKα","","0.0438","0.0422","","","0.121","0.1226","","","","","","1.028","","","","has coordinates","263660","2021-04-05","14:05:02",""
"7127821","6.5832","0.0002","12.9279","0.0004","19.4223","0.0007","90","","92.067","0.003","90","","1651.9","0.09","180","0.1","180","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B10 N -","- C13 H19 B10 N -","- C52 H76 B40 N4 -","4","1","","Yang, Ziyi; Wu, Yuanbo; Fu, Yatong; Yang, Jianxin; Lu, Jian; Lu, Ju-You","Palladium-catalyzed selective B(3)-H arylation of o-carboranes with arylboronic acids at room temperature.","Chemical communications (Cambridge, England)","2021","57","13","1655","1658","10.1039/d0cc07591d","","x-ray","0.71073","MoKα","","0.0774","0.0631","","","0.1578","0.1673","","","","","","1.02","","","","has coordinates,has disorder","262487","2021-03-05","01:19:50",""
"7127822","10.8652","0.0009","10.6399","0.0009","19.5358","0.0015","90","","100.152","0.003","90","","2223.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 B10 N -","- C19 H31 B10 N -","- C76 H124 B40 N4 -","4","1","","Yang, Ziyi; Wu, Yuanbo; Fu, Yatong; Yang, Jianxin; Lu, Jian; Lu, Ju-You","Palladium-catalyzed selective B(3)-H arylation of o-carboranes with arylboronic acids at room temperature.","Chemical communications (Cambridge, England)","2021","57","13","1655","1658","10.1039/d0cc07591d","","","0.71073","MoKα","","0.1329","0.0695","","","0.1842","0.2162","","","","","","1.013","","","","has coordinates","262487","2021-03-05","01:19:50",""
"7127823","12.216","0.0005","12.0622","0.0005","14.8049","0.0006","90","","94.702","0.002","90","","2174.19","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C116 H88 N8 O12 -","4","1","","Gogoi, Kongkona; Bora, Bidisha R.; Borah, Geetika; Sarma, Bipul; Gogoi, Sanjib","Synthesis of quaternary carbon-centered indolo[1,2-<i>a</i>]quinazolinones and indazolo[1,2-<i>a</i>]indazolones <i>via</i> C-H functionalization.","Chemical communications (Cambridge, England)","2021","57","11","1388","1391","10.1039/d0cc07419e","","","0.71073","MoKα","","0.0898","0.0491","","","0.1269","0.162","","","","","","0.865","","","","has coordinates","262514","2021-03-05","01:24:21",""
"7127824","10.104","0.006","12.445","0.008","15.461","0.01","90","","100.966","0.008","90","","1909","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl N2 O2 -","- C21 H21 Cl N2 O2 -","- C84 H84 Cl4 N8 O8 -","4","1","","Gogoi, Kongkona; Bora, Bidisha R.; Borah, Geetika; Sarma, Bipul; Gogoi, Sanjib","Synthesis of quaternary carbon-centered indolo[1,2-<i>a</i>]quinazolinones and indazolo[1,2-<i>a</i>]indazolones <i>via</i> C-H functionalization.","Chemical communications (Cambridge, England)","2021","57","11","1388","1391","10.1039/d0cc07419e","","","0.71073","MoKα","","0.1565","0.0702","","","0.1896","0.2315","","","","","","1.138","","","","has coordinates","262514","2021-03-05","01:24:21",""
"7127825","8.213","0.01","9.582","0.012","11.527","0.014","90.502","0.013","107.431","0.013","91.458","0.014","865.1","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C46 H36 N4 O2 -","2","1","","Gogoi, Kongkona; Bora, Bidisha R.; Borah, Geetika; Sarma, Bipul; Gogoi, Sanjib","Synthesis of quaternary carbon-centered indolo[1,2-<i>a</i>]quinazolinones and indazolo[1,2-<i>a</i>]indazolones <i>via</i> C-H functionalization.","Chemical communications (Cambridge, England)","2021","57","11","1388","1391","10.1039/d0cc07419e","","","0.71073","MoKα","","0.0759","0.0491","","","0.146","0.1722","","","","","","1.011","","","","has coordinates","262514","2021-03-05","01:24:21",""
"7127826","6.8902","0.0004","11.3752","0.0007","12.5546","0.0008","77.459","0.002","83.636","0.002","81.818","0.002","947.48","0.1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C42 H46 N2 O8 S2 -","2","1","","Mu, Qiu-Qi; Nie, Yi-Xue; Li, Hang; Bai, Xing-Feng; Liu, Xue-Wei; Xu, Zheng; Xu, Li-Wen","Catalytic asymmetric oxidative carbonylation-induced kinetic resolution of sterically hindered benzylamines to chiral isoindolinones.","Chemical communications (Cambridge, England)","2021","57","14","1778","1781","10.1039/d0cc07218d","","","1.54178","CuKα","","0.0378","0.0369","","","0.1011","0.1019","","","","","","1.047","","","","has coordinates","262497","2021-03-05","01:21:31",""
"7127827","16.7467","0.0004","21.6002","0.0005","7.8088","0.0002","90","","90","","90","","2824.69","0.12","293","2","293","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C19 H15 N -","- C19 H15 N -","- C152 H120 N8 -","8","1","","Qi, Zhi-Chao; Lou, Qin-Xin; Niu, Yuan; Yang, Shang-Dong","Temporary (P[double bond, length as m-dash]O) directing group enabled carbazole ortho arylation via palladium catalysis.","Chemical communications (Cambridge, England)","2021","57","16","2021","2024","10.1039/d0cc07596e","","x-ray","1.54184","CuKα","","0.0397","0.0379","","","0.0979","0.1007","","","","","","1.041","","","","has coordinates","262478","2021-03-05","01:17:43",""
"7127828","8.337","0.008","8.954","0.009","10.867","0.011","109.95","0.01","102.666","0.011","98.075","0.006","723.2","1.2","143","","143","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 B Cl F2 N2 -","- C15 H16 B Cl F2 N2 -","- C30 H32 B2 Cl2 F4 N4 -","2","1","","Mu, Huiying; Miki, Koji; Kubo, Takuya; Otsuka, Koji; Ohe, Kouichi","Substituted <i>meso</i>-vinyl-BODIPY as thiol-selective fluorogenic probes for sensing unfolded proteins in the endoplasmic reticulum.","Chemical communications (Cambridge, England)","2021","57","14","1818","1821","10.1039/d0cc08160d","","","0.71075","MoKα","","","0.041","","","","0.0785","","","","","","1","","","","has coordinates","262496","2021-03-05","01:21:25",""
"7127829","10.7823","0.0003","11.0287","0.0003","15.3429","0.0004","107.822","0.004","91.112","0.003","107.275","0.003","1646.34","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1","P 1","1","Au(D-bordt)(OC4)","Gold(D-bornylene-1,2-dithiolate)(1,2-bis(4-butoxyphenyl)ethylene-dithiolate)","","- C32 H40 Au O2 S4 -","- C32 H40 Au O2 S4 -","- C64 H80 Au2 O4 S8 -","2","2","","Perochon, Romain; Barrière, Frédéric; Jeannin, Olivier; Piekara-Sady, Lidia; Fourmigué, Marc","A radical mixed-ligand gold bis(dithiolene) complex.","Chemical communications (Cambridge, England)","2021","57","13","1615","1618","10.1039/d0cc07602c","","x-ray","0.71073","MoKα","","0.0358","0.0301","","","0.0683","0.0713","","","","","","1.021","","","","has coordinates","262490","2021-03-05","01:20:17",""
"7127830","20.5184","0.0011","20.5184","0.0011","13.0844","0.0007","90","","90","","120","","4770.6","0.4","100","","100.15","","","","","","","","","6","P 62","P 62","171","","","","- C68.22 H58.66 Cl3.78 N4 O0.74 Pd2 -","- C68.274 H58.822 Cl3.726 N4 O0.758 Pd2 -","- C204.822 H176.466 Cl11.178 N12 O2.274 Pd6 -","3","0.5","","Lin, Jinqiang; Xie, Mo; Zhang, Xiaobao; Gao, Qin; Chang, Xiaoyong; Zou, Chao; Lu, Wei","Helically chiral Pd(ii) complexes containing intramolecular PdPd metallophilicity as circularly polarized molecular phosphors.","Chemical communications (Cambridge, England)","2021","57","13","1627","1630","10.1039/d0cc08188d","","x-ray","0.71073","MoKα","","0.0923","0.0818","","","0.212","0.2207","","","","","","1.09","","","","has coordinates,has disorder","262488","2021-03-05","01:20:01",""
"7127831","20.5118","0.0014","20.5118","0.0014","13.0966","0.001","90","","90","","120","","4772","0.6","100","","100","","","","","","","","","6","P 31","P 31","144","","","","- C68.02 H58.06 Cl3.98 N4 O0.67 Pd2 -","- C68.01 H58.03 Cl3.99 N4 O0.67 Pd2 -","- C204.03 H174.09 Cl11.97 N12 O2.01 Pd6 -","3","1","","Lin, Jinqiang; Xie, Mo; Zhang, Xiaobao; Gao, Qin; Chang, Xiaoyong; Zou, Chao; Lu, Wei","Helically chiral Pd(ii) complexes containing intramolecular PdPd metallophilicity as circularly polarized molecular phosphors.","Chemical communications (Cambridge, England)","2021","57","13","1627","1630","10.1039/d0cc08188d","","x-ray","0.71073","MoKα","","0.0697","0.0591","","","0.148","0.1554","","","","","","1.047","","","","has coordinates,has disorder","262488","2021-03-05","01:20:01",""
"7127832","8.0048","0.0003","11.7155","0.0005","13.6559","0.0005","90","","92.414","0.003","90","","1279.52","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 Cl N O2 S2 -","- C29 H22 Cl N O2 S2 -","- C58 H44 Cl2 N2 O4 S4 -","2","1","","Tian, Jun; Yuan, Kang-Ning; Liu, Wen; Chang, Hong-Hong; Li, Xing; Gao, Wen-Chao","3-Thiolated pyrroles/pyrrolines: controllable synthesis and usage for the construction of thiolated fluorophores.","Chemical communications (Cambridge, England)","2021","57","15","1943","1946","10.1039/d0cc07988j","","x-ray","1.54184","CuKα","","0.0337","0.0324","","","0.088","0.0896","","","","","","1.034","","","","has coordinates","262501","2021-03-05","01:22:06",""
"7127833","9.9298","0.0007","11.0745","0.0007","13.1127","0.0009","70.55","0.002","77.681","0.002","76.72","0.002","1308.52","0.15","298","2","298.1","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 N O2 S2 -","- C30 H27 N O2 S2 -","- C60 H54 N2 O4 S4 -","2","1","","Tian, Jun; Yuan, Kang-Ning; Liu, Wen; Chang, Hong-Hong; Li, Xing; Gao, Wen-Chao","3-Thiolated pyrroles/pyrrolines: controllable synthesis and usage for the construction of thiolated fluorophores.","Chemical communications (Cambridge, England)","2021","57","15","1943","1946","10.1039/d0cc07988j","","","0.71073","MoKα","","0.0813","0.0654","","","0.1336","0.1486","","","","","","1.103","","","","has coordinates","262501","2021-03-05","01:22:06",""
"7127834","11.971","0.0007","34.5822","0.0018","12.0112","0.0006","90","","97.196","0.002","90","","4933.3","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 B2 F8 N8 O2 Rh2 -","- C52 H46 B2 F8 N8 O2 Rh2 -","- C208 H184 B8 F32 N32 O8 Rh8 -","4","1","","Manamperi, Hemanthi D.; Moore, Curtis E.; Turro, Claudia","Dirhodium complexes as electrocatalysts for CO<sub>2</sub> reduction to HCOOH: role of steric hindrance on selectivity.","Chemical communications (Cambridge, England)","2021","57","13","1635","1638","10.1039/d0cc07659g","","x-ray","0.71073","MoKα","","0.0577","0.0421","","","0.0756","0.0801","","","","","","1.082","","","","has coordinates,has disorder","262493","2021-03-05","01:20:49",""
"7127835","22.1265","0.0005","20.9437","0.0005","24.5322","0.0006","90","","90","","90","","11368.5","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H63 B2 F8 N9 O Rh2 -","- C62 H63 B2 F8 N9 O Rh2 -","- C496 H504 B16 F64 N72 O8 Rh16 -","8","1","","Manamperi, Hemanthi D.; Moore, Curtis E.; Turro, Claudia","Dirhodium complexes as electrocatalysts for CO<sub>2</sub> reduction to HCOOH: role of steric hindrance on selectivity.","Chemical communications (Cambridge, England)","2021","57","13","1635","1638","10.1039/d0cc07659g","","x-ray","0.71073","MoKα","K-L~3~","0.08","0.0472","","","0.0994","0.1145","","","","","","1.06","","","","has coordinates","262493","2021-03-05","01:20:49",""
"7127836","9.927","0.002","14.803","0.003","19.257","0.004","86.172","0.003","89.944","0.003","88.535","0.003","2822.6","1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 N O14 S -","- C62 H75 N O14 S -","- C124 H150 N2 O28 S2 -","2","1","","Iwamoto, Hajime; Ishizu, Yuki; Hasegawa, Eietsu; Sekiya, Ryo; Haino, Takeharu","Translational isomers of <i>N</i>-sulfonylated [3]catenane: synthesis and isomerization.","Chemical communications (Cambridge, England)","2021","57","15","1915","1918","10.1039/d0cc07720h","","","0.71073","MoKα","","0.0919","0.0522","","","0.1198","0.1397","","","","","","1.02","","","","has coordinates","262502","2021-03-05","01:22:17",""
"7127837","14.1096","0.0006","38.074","0.0016","9.9404","0.0004","90","","93.283","0.001","90","","5331.3","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H146 N2 O28 S2 -","- C112 H146 N2 O28 S2 -","- C224 H292 N4 O56 S4 -","2","0.5","","Iwamoto, Hajime; Ishizu, Yuki; Hasegawa, Eietsu; Sekiya, Ryo; Haino, Takeharu","Translational isomers of <i>N</i>-sulfonylated [3]catenane: synthesis and isomerization.","Chemical communications (Cambridge, England)","2021","57","15","1915","1918","10.1039/d0cc07720h","","","0.71073","MoKα","","0.0691","0.0416","","","0.0895","0.101","","","","","","1.027","","","","has coordinates","262502","2021-03-05","01:22:17",""
"7127838","11.663","0.012","12.52","0.013","21.3","0.02","78.986","0.013","76.432","0.015","85.801","0.012","2966","5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H158 N2 O28 S2 -","- C126 H158 N2 O28 S2 -","- C126 H158 N2 O28 S2 -","1","0.5","","Iwamoto, Hajime; Ishizu, Yuki; Hasegawa, Eietsu; Sekiya, Ryo; Haino, Takeharu","Translational isomers of <i>N</i>-sulfonylated [3]catenane: synthesis and isomerization.","Chemical communications (Cambridge, England)","2021","57","15","1915","1918","10.1039/d0cc07720h","","","0.71073","MoKα","","0.1415","0.1075","","","0.2958","0.3341","","","","","","1.451","","","","has coordinates","262502","2021-03-05","01:22:17",""
"7127839","8.094","0.0003","17.4703","0.0008","11.2484","0.0005","90","","99.299","0.004","90","","1569.67","0.12","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","2","","Lai, Xiaojing; Liu, Jin-Biao; Wang, Yu-Chao; Qiu, Guanyinsheng","Iron-catalyzed intramolecular acyl nitrene/alkyne metalation for the synthesis of pyrrolo[2,1-a]isoindol-5-ones.","Chemical communications (Cambridge, England)","2021","57","16","2077","2080","10.1039/d0cc08039j","","x-ray","1.54184","CuKα","","0.0514","0.0461","","","0.1162","0.124","","","","","","1.053","","","","has coordinates","262483","2021-03-05","01:18:57",""
"7127840","6.7666","0.0006","8.5442","0.0005","16.8887","0.0012","98.888","0.005","91.797","0.006","103.272","0.006","936.66","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","Lai, Xiaojing; Liu, Jin-Biao; Wang, Yu-Chao; Qiu, Guanyinsheng","Iron-catalyzed intramolecular acyl nitrene/alkyne metalation for the synthesis of pyrrolo[2,1-a]isoindol-5-ones.","Chemical communications (Cambridge, England)","2021","57","16","2077","2080","10.1039/d0cc08039j","","x-ray","1.54184","CuKα","","0.0605","0.0554","","","0.1428","0.1512","","","","","","0.905","","","","has coordinates","262483","2021-03-05","01:18:57",""
"7127841","15.7986","0.0002","15.3979","0.0001","16.0085","0.0003","90","","119.177","0.002","90","","3400.19","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H90 Al10 O40 -","- C40 H90 Al10 O40 -","- C80 H180 Al20 O80 -","2","0.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.3405","GaKα","","0.0673","0.0623","","","0.1612","0.1646","","","","","","1.106","","","","has coordinates,has disorder","262482","2021-03-05","01:18:47",""
"7127842","20.7362","0.0005","25.0136","0.0005","38.8351","0.0013","90","","90","","90","","20143.3","0.9","297.27","0.1","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C52 H84 Al10 F0.12 O50 -","- C52 H84 Al10 F2 O48 -","- C416 H672 Al80 F16 O384 -","8","0.25","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.3405","GaKα","","0.0384","0.0358","","","0.1097","0.1121","","","","","","1.05","","","","has coordinates","262482","2021-03-05","01:18:47",""
"7127843","19.8191","0.0006","16.1753","0.0004","15.5044","0.0005","90","","111.372","0.004","90","","4628.6","0.3","101.2","0.7","101.2","0.7","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C56 H92 Al10 F0.5 O50 -","- C56 H92 Al10 F2 O48 -","- C112 H184 Al20 F4 O96 -","2","0.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.3405","GaKα","","0.0472","0.0433","","","0.1124","0.1143","","","","","","1.004","","","","has coordinates","262482","2021-03-05","01:18:47",""
"7127844","20.1093","0.0005","27.0496","0.0006","7.7076","0.0002","90","","115.686","0.003","90","","3778.24","0.19","107.3","0.3","107.3","0.3","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C50 H110 Al10 O40 -","- C50 H110 Al10 O40 -","- C100 H220 Al20 O80 -","2","0.25","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","x-ray","1.3405","GaKα","","0.0686","0.0599","","","0.1605","0.1692","","","","","","1.114","","","","has coordinates,has disorder","262482","2021-03-05","01:18:47",""
"7127845","8.6547","0.0001","44.2025","0.0006","28.0556","0.0004","90","","107.322","0.001","90","","10246.2","0.2","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H90 Al10 O40 -","- C39.6667 H89 Al10 O40 -","- C238 H534 Al60 O240 -","6","1.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.3405","GaKα","","0.0657","0.0586","","","0.1437","0.147","","","","","","1.151","","","","has coordinates,has disorder","262482","2021-03-05","01:18:47",""
"7127846","15.53","0.0004","17.7065","0.0004","16.3216","0.0005","90","","90","","90","","4488.1","0.2","100","0.11","100","0.11","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C48 H76 Al10 F2 O48 -","- C48 H76 Al10 F2 O48 -","- C96 H152 Al20 F4 O96 -","2","0.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","","1.54184","CuKα","","0.0462","0.0374","","","0.091","0.097","","","","","","1.043","","","","has coordinates","262482","2021-03-05","01:18:47",""
"7127847","9.1044","0.0002","15.8179","0.0002","28.5609","0.0003","90","","91.622","0.001","90","","4111.48","0.11","100.6","0.8","100.6","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H130 Al10 O40 -","- C60 H130 Al10 O40 -","- C120 H260 Al20 O80 -","2","0.5","","Geng, Lin; Li, Qiao-Hong; Wang, San-Tai; Liu, Ya-Jie; Fang, Wei-Hui; Zhang, Jian","Aluminium nanorings: configuration deformation and structural transformation.","Chemical communications (Cambridge, England)","2021","57","16","2085","2088","10.1039/d0cc07513b","","x-ray","1.3405","GaKα","","0.0843","0.0652","","","0.1787","0.1945","","","","","","1.029","","","","has coordinates,has disorder","262482","2021-03-05","01:18:47",""
"7127848","9.0356","0.0003","26.9308","0.0009","17.7744","0.0005","90","","101.73","0.001","90","","4234.8","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H55 N Ni P2 -","- C41 H55 N Ni P2 -","- C164 H220 N4 Ni4 P8 -","4","1","","Wu, Ke; Ling, Yichen; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Jin, Liqun; Hu, Xinquan","Ni-catalyzed reductive decyanation of nitriles with ethanol as the reductant.","Chemical communications (Cambridge, England)","2021","57","18","2273","2276","10.1039/d0cc07743g","","","0.71073","MoKα","","0.0868","0.0543","","","0.1524","0.1728","","","","","","1.029","","","","has coordinates","262506","2021-03-05","01:22:56",""
"7127849","10.8408","0.0006","26.2799","0.0013","11.5932","0.0005","90","","117.247","0.003","90","","2936.4","0.3","100","","100.1","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C48 H66 Cl3 F12 Gd N8 O11 -","- C48 H64 Cl3 F12 Gd N8 O11 -","- C96 H128 Cl6 F24 Gd2 N16 O22 -","2","0.5","","Subasinghe, S A Amali S; Romero, Jonathan; Ward, Cassandra L.; Bailey, Matthew D.; Zehner, Donna R.; Mehta, Prakrut J.; Carniato, Fabio; Botta, Mauro; Yustein, Jason T.; Pautler, Robia G.; Allen, Matthew J.","Magnetic resonance thermometry using a Gd<sup>III</sup>-based contrast agent.","Chemical communications (Cambridge, England)","2021","57","14","1770","1773","10.1039/d0cc06400a","","","0.71073","MoKα","","0.145","0.1","","","0.2465","0.2788","","","","","","1.026","","","","has coordinates,has disorder","262499","2021-03-05","01:21:48",""
"7127850","15.2967","0.0007","11.2692","0.0005","15.7712","0.0007","90","","90.312","0.002","90","","2718.6","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H70 Gd I3 N8 O7 -","- C48 H70 Gd I3 N8 O7 -","- C96 H140 Gd2 I6 N16 O14 -","2","1","","Subasinghe, S A Amali S; Romero, Jonathan; Ward, Cassandra L.; Bailey, Matthew D.; Zehner, Donna R.; Mehta, Prakrut J.; Carniato, Fabio; Botta, Mauro; Yustein, Jason T.; Pautler, Robia G.; Allen, Matthew J.","Magnetic resonance thermometry using a Gd<sup>III</sup>-based contrast agent.","Chemical communications (Cambridge, England)","2021","57","14","1770","1773","10.1039/d0cc06400a","","","0.71073","MoKα","","0.0576","0.0397","","","0.0674","0.0729","","","","","","1.034","","","","has coordinates,has disorder","262499","2021-03-05","01:21:48",""
"7127851","16.1425","0.0009","16.4681","0.0009","12.6844","0.0007","90","","93.264","0.002","90","","3366.5","0.3","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H58 Au2 Cl8 N24 O26 -","- C36 H58 Au2 Cl8 N24 O26 -","- C72 H116 Au4 Cl16 N48 O52 -","2","0.25","","Song, Xianmeng; Cao, Minna; Chen, Ruru; Wang, Huimin; Li, Hongfang; Cao, Rong","Enhanced selectivity and stability towards CO<sub>2</sub> reduction of sub-5 nm Au NPs derived from supramolecular assembly.","Chemical communications (Cambridge, England)","2021","57","20","2491","2494","10.1039/d0cc08353d","","","1.54178","CuKα","","0.0244","0.0243","","","0.063","0.063","","","","","","1.121","","","","has coordinates","263644","2021-04-05","14:01:30",""
"7127852","29.299","0.0012","29.299","0.0012","26.3901","0.0014","90","","90","","120","","19619","1.5","185","2","185.31","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C H Au Cl N O -","- C2.57143 H3.46428 Au0.107143 Cl0.428571 N1.71429 O1.32143 -","- C432 H581.999 Au18 Cl72 N288 O222 -","168","9.33333","","Song, Xianmeng; Cao, Minna; Chen, Ruru; Wang, Huimin; Li, Hongfang; Cao, Rong","Enhanced selectivity and stability towards CO<sub>2</sub> reduction of sub-5 nm Au NPs derived from supramolecular assembly.","Chemical communications (Cambridge, England)","2021","57","20","2491","2494","10.1039/d0cc08353d","","","0.71073","MoKα","","0.0676","0.0453","","","0.1157","0.1268","","","","","","1.026","","","","has coordinates","263644","2021-04-05","14:01:30",""
"7127853","12.8815","0.0003","14.9476","0.0004","26.9853","0.0007","90","","90","","90","","5196","0.2","300","2","299.68","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56 Au Cl4 N20 O13 -","- C40 H56 Au Cl4 N20 O13 -","- C160 H224 Au4 Cl16 N80 O52 -","4","0.5","","Song, Xianmeng; Cao, Minna; Chen, Ruru; Wang, Huimin; Li, Hongfang; Cao, Rong","Enhanced selectivity and stability towards CO<sub>2</sub> reduction of sub-5 nm Au NPs derived from supramolecular assembly.","Chemical communications (Cambridge, England)","2021","57","20","2491","2494","10.1039/d0cc08353d","","","0.71073","MoKα","","0.0613","0.0447","","","0.137","0.1509","","","","","","1.044","","","","has coordinates","263644","2021-04-05","14:01:30",""
"7127854","7.7964","0.0003","10.0946","0.0004","14.0983","0.0006","88.048","0.001","79.545","0.001","76.425","0.001","1060.61","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N4 O4 Zn -","- C26 H18 N4 O4 Zn -","- C52 H36 N8 O8 Zn2 -","2","1","","Song, Wei-Chao; Geng, Chen-Chen; Li, Sheng-Yang; Liang, Ling; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Photo-oligomerization by shifting the coordination site in a luminescent coordination polymer.","Chemical communications (Cambridge, England)","2021","57","17","2148","2151","10.1039/d0cc08021g","","","0.71073","MoKα","","0.0289","0.0266","","","0.0687","0.0699","","","","","","1.055","","","","has coordinates","262477","2021-03-05","01:17:31",""
"7127855","8.219","0.0004","10.0622","0.0005","13.9221","0.0007","89.079","0.004","76.966","0.004","76.522","0.004","1090.01","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N4 O4 Zn -","- C26 H18 N4 O4 Zn -","- C52 H36 N8 O8 Zn2 -","2","1","","Song, Wei-Chao; Geng, Chen-Chen; Li, Sheng-Yang; Liang, Ling; Wang, Xiu-Guang; Yang, En-Cui; Zhao, Xiao-Jun","Photo-oligomerization by shifting the coordination site in a luminescent coordination polymer.","Chemical communications (Cambridge, England)","2021","57","17","2148","2151","10.1039/d0cc08021g","","x-ray","1.54184","CuKα","","0.0969","0.0698","","","0.1695","0.1879","","","","","","1.035","","","","has coordinates,has disorder","262477","2021-03-05","01:17:31",""
"7127856","10.0919","0.0002","14.4515","0.0002","40.1739","0.0006","90","","92.765","0.001","90","","5852.26","0.17","123","1","123","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 F12 Fe2 O4 P6 Ru -","- C48 H72 F12 Fe2 O4 P6 Ru -","- C192 H288 F48 Fe8 O16 P24 Ru4 -","4","1","","Müller, Julian; Balázs, Gábor; Scheer, Manfred","From a P<sub>4</sub> butterfly scaffold to <i>cyclo</i>- and <i>catena</i>-P<sub>4</sub> units.","Chemical communications (Cambridge, England)","2021","57","18","2257","2260","10.1039/d0cc08328c","","x-ray","0.71073","MoKα","","0.0481","0.0386","","","0.088","0.0924","","","","","","1.079","","","","has coordinates,has disorder","262507","2021-03-05","01:23:14",""
"7127857","12.9624","0.0004","14.8814","0.0004","18.4164","0.0004","73.521","0.002","72.266","0.003","80.18","0.002","3230.9","0.16","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H77 Cl4 F12 Fe2 O4 P6 Rh -","- C50 H77 Cl4 F12 Fe2 O4 P6 Rh -","- C100 H154 Cl8 F24 Fe4 O8 P12 Rh2 -","2","1","","Müller, Julian; Balázs, Gábor; Scheer, Manfred","From a P<sub>4</sub> butterfly scaffold to <i>cyclo</i>- and <i>catena</i>-P<sub>4</sub> units.","Chemical communications (Cambridge, England)","2021","57","18","2257","2260","10.1039/d0cc08328c","","x-ray","1.54184","CuKα","","0.0328","0.0283","","","0.0648","0.0671","","","","","","1.015","","","","has coordinates,has disorder","262507","2021-03-05","01:23:14",""
"7127858","18.66252","0.0002","16.39571","0.00014","20.2876","0.0003","90","","104.548","0.0011","90","","6008.67","0.12","123.01","0.13","123.01","0.13","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49.8 H78.6 F6 Fe2 O3.7 P5 Ru -","- C49.8 H78.6 F6 Fe2 O3.7 P5 Ru -","- C199.2 H314.4 F24 Fe8 O14.8 P20 Ru4 -","4","1","","Müller, Julian; Balázs, Gábor; Scheer, Manfred","From a P<sub>4</sub> butterfly scaffold to <i>cyclo</i>- and <i>catena</i>-P<sub>4</sub> units.","Chemical communications (Cambridge, England)","2021","57","18","2257","2260","10.1039/d0cc08328c","","x-ray","1.54184","CuKα","","0.0349","0.0332","","","0.0873","0.0887","","","","","","1.042","","","","has coordinates","262507","2021-03-05","01:23:14",""
"7127859","12.9537","0.0002","14.8742","0.0002","18.4134","0.0002","73.489","0.001","72.346","0.001","80.07","0.001","3226.85","0.08","123","1","123","1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H77 Cl4 F12 Fe2 Ir O4 P6 -","- C50 H77 Cl4 F12 Fe2 Ir O4 P6 -","- C100 H154 Cl8 F24 Fe4 Ir2 O8 P12 -","2","1","","Müller, Julian; Balázs, Gábor; Scheer, Manfred","From a P<sub>4</sub> butterfly scaffold to <i>cyclo</i>- and <i>catena</i>-P<sub>4</sub> units.","Chemical communications (Cambridge, England)","2021","57","18","2257","2260","10.1039/d0cc08328c","","x-ray","0.71073","MoKα","","0.0267","0.0222","","","0.0503","0.0519","","","","","","1.028","","","","has coordinates,has disorder","262507","2021-03-05","01:23:14",""
"7127860","12.614","0.002","27.595","0.004","15.86","0.005","90","","113.041","0.013","90","","5080","2","190","2","190","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Shi_Ir2","","","- C44 H35 Cl10 F6 Ir N11 P -","- C44 H35 Cl10 F6 Ir N11 P -","- C176 H140 Cl40 F24 Ir4 N44 P4 -","4","1","","Liu, Xin; Li, Kun; Shi, Lei; Zhang, Hong; Liu, Yan-Hong; Wang, Hao-Yuan; Wang, Nan; Yu, Xiao-Qi","Purine-based Ir(iii) complexes for sensing viscosity of endo-plasmic reticulum with fluorescence lifetime imaging microscopy.","Chemical communications (Cambridge, England)","2021","57","18","2265","2268","10.1039/d0cc07867k","","","1.54184","CuKα","","0.0424","0.0348","","","0.0884","0.0921","","","","","","1.04","","","","has coordinates","262509","2021-03-05","01:23:30",""
"7127861","6.9944","0.0005","11.3189","0.0005","14.3507","0.0007","90","","98.083","0.005","90","","1124.84","0.11","297.5","0.2","297.5","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Cl N4 -","- C12 H9 Cl N4 -","- C48 H36 Cl4 N16 -","4","1","","Liu, Xin; Li, Kun; Shi, Lei; Zhang, Hong; Liu, Yan-Hong; Wang, Hao-Yuan; Wang, Nan; Yu, Xiao-Qi","Purine-based Ir(iii) complexes for sensing viscosity of endo-plasmic reticulum with fluorescence lifetime imaging microscopy.","Chemical communications (Cambridge, England)","2021","57","18","2265","2268","10.1039/d0cc07867k","","x-ray","1.54184","CuKα","","0.0784","0.0716","","","0.1887","0.1996","","","","","","1.085","","","","has coordinates","262509","2021-03-05","01:23:31",""
"7127862","29.422","0.0004","29.422","0.0004","40.288","0.0009","90","","90","","90","","34875.5","1","103","4","103","4","","","","","","","","7","I 4/m","-I 4","87","","ImBDC-Co","","- C390 H354 Co24 I0.42 N24 O126 S24 -","- C390 H356.4 Co24 I0.42 N24 O126 S24 -","- C780 H712.8 Co48 I0.84 N48 O252 S48 -","2","0.125","","Tong, Hui-Ying; Liang, Jun; Wu, Qiu-Jin; Zou, Yu-Huang; Huang, Yuan-Biao; Cao, Rong","Soluble imidazolium-functionalized coordination cages for efficient homogeneous catalysis of CO<sub>2</sub> cycloaddition reactions.","Chemical communications (Cambridge, England)","2021","57","17","2140","2143","10.1039/d0cc08098e","","x-ray","1.3405","GaKα","","0.1105","0.0875","","","0.2801","0.2982","","","","","","1.154","","","","has coordinates,has disorder","262476","2021-03-05","01:17:24",""
"7127863","29.1997","0.0005","29.1997","0.0005","40.4454","0.0012","90","","90","","90","","34484.7","1.3","293","","293","","","","","","","","","7","I 4/m","-I 4","87","","","","- C390 H343.33 I2.28 N24 Ni24 O126 S24 -","- C390 H347.32 I2.275 N24 Ni24 O126 S24 -","- C780 H694.64 I4.55 N48 Ni48 O252 S48 -","2","0.125","","Tong, Hui-Ying; Liang, Jun; Wu, Qiu-Jin; Zou, Yu-Huang; Huang, Yuan-Biao; Cao, Rong","Soluble imidazolium-functionalized coordination cages for efficient homogeneous catalysis of CO<sub>2</sub> cycloaddition reactions.","Chemical communications (Cambridge, England)","2021","57","17","2140","2143","10.1039/d0cc08098e","","","1.3405","GaKα","","0.1524","0.1121","","","0.3317","0.3583","","","","","","1.325","","","","has coordinates,has disorder","262476","2021-03-05","01:17:24",""
"7127864","10.949","0.0012","19.966","0.002","7.4024","0.0008","90","","99.422","0.001","90","","1596.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 B N O2 -","- C24 H14 B N O2 -","- C96 H56 B4 N4 O8 -","4","0.5","","Kitamoto, Y.; Oda, K.; Ogino, K.; Hiyama, K.; Kita, H.; Hattori, T.; Oi, S.","Synthesis of an azadioxa-planar triphenylborane and investigation of its structural and photophysical properties.","Chemical communications (Cambridge, England)","2021","57","18","2297","2300","10.1039/d0cc08331c","","","0.71073","MoKα","","0.0445","0.0407","","","0.1214","0.1255","","","","","","1.045","","","","has coordinates","262504","2021-03-05","01:22:31",""
"7127865","27.567","0.004","28.542","0.004","31.98","0.005","68.697","0.004","66.104","0.004","90.004","0.004","21111","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C190 H151 Au23 N4 O4 P9 S4 -","- C190 H151 Au23 N4 O4 P9 S4 -","- C760 H604 Au92 N16 O16 P36 S16 -","4","2","","Li, Shuohao; Sun, Yongnan; Wu, Chenyang; Hu, Weigang; Li, Wei; Liu, Xu; Chen, Mingyang; Zhu, Yan","Distinct structure assembly driven by metal-ligand binding in Au<sub>23</sub> nanoclusters and its relation to photocatalysis.","Chemical communications (Cambridge, England)","2021","57","17","2176","2179","10.1039/d0cc08327e","","","0.71073","MoKα","","0.2035","0.0898","","","0.2216","0.2451","","","","","","1.192","","","","has coordinates","262475","2021-03-05","01:17:00",""
"7127866","12.2758","0.0005","10.2771","0.0004","7.5324","0.0003","90","","104.454","0.001","90","","920.21","0.06","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H2 Cd N2 O2 -","- C4 H2 Cd N2 O2 -","- C32 H16 Cd8 N16 O16 -","8","1","","Zhu, Liwei; Liu, Ning; Lv, Xincheng; Zhang, Ziqiu; Yu, Liangmin; Li, Xia","A novel metal-organic framework derived carbon nanoflower with effective electromagnetic microwave absorption and high-performance electrochemical energy storage properties.","Chemical communications (Cambridge, England)","2021","57","20","2539","2542","10.1039/d1cc00253h","","","0.71073","MoKα","","0.0176","0.0153","","","0.0362","0.0371","","","","","","1.114","","","","has coordinates","263649","2021-04-05","14:02:07",""
"7127867","27.51","0.002","5.7053","0.0005","10.3731","0.0009","90","","95.37","0.002","90","","1620.9","0.2","293","2","273.15","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Xie, Yi-Wen; Zhao, Zhen-Ni; Lin, Zi-Wei; Wang, Yu-Hao; Liu, Ya-Qun; Huang, Yi-Yong","Asymmetric Petasis reaction for the synthesis of chiral α- and β-butadienyl amines.","Chemical communications (Cambridge, England)","2021","57","19","2364","2367","10.1039/d0cc08241d","","","0.71073","MoKα","","0.0402","0.0373","","","0.1025","0.105","","","","","","1.033","","","","has coordinates","263636","2021-04-05","13:58:50",""
"7127868","30.0312","0.0002","24.2172","0.0002","33.2627","0.0002","90","","95.4521","0.0006","90","","24081.6","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C398 H340 Ag50 F36 N8 O4 P12 S43 -","- C398 H340 Ag50 F36 N8 O4 P12 S43 -","- C796 H680 Ag100 F72 N16 O8 P24 S86 -","2","0.5","","Sun, Qiao-Qiao; Li, Qian; Li, Hai-Yang; Zhang, Miao-Miao; Sun, Meng-En; Li, Si; Quan, Zewei; Zang, Shuang-Quan","Thermochromism and piezochromism of an atomically precise high-nuclearity silver sulfide nanocluster.","Chemical communications (Cambridge, England)","2021","57","19","2372","2375","10.1039/d0cc07085h","","x-ray","1.54184","CuKα","","0.0952","0.0867","","","0.2486","0.2581","","","","","","1.084","","","","has coordinates,has disorder","263638","2021-04-05","13:59:46",""
"7127869","30.0586","0.0002","24.3044","0.0002","33.3509","0.0002","90","","95.349","0.001","90","","24258.6","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C398 H340 Ag50 F36 N8 O4 P12 S43 -","- C398 H340 Ag50 F36 N8 O4 P12 S43 -","- C796 H680 Ag100 F72 N16 O8 P24 S86 -","2","0.5","","Sun, Qiao-Qiao; Li, Qian; Li, Hai-Yang; Zhang, Miao-Miao; Sun, Meng-En; Li, Si; Quan, Zewei; Zang, Shuang-Quan","Thermochromism and piezochromism of an atomically precise high-nuclearity silver sulfide nanocluster.","Chemical communications (Cambridge, England)","2021","57","19","2372","2375","10.1039/d0cc07085h","","x-ray","1.54184","CuKα","","0.0784","0.0667","","","0.178","0.1869","","","","","","1.048","","","","has coordinates,has disorder","263638","2021-04-05","13:59:47",""
"7127870","30.1143","0.0002","24.4007","0.0002","33.4558","0.0002","90","","95.291","0.001","90","","24478.9","0.3","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C378 H300 Ag50 F36 P12 S43 -","- C378 H300 Ag50 F36 P12 S43 -","- C756 H600 Ag100 F72 P24 S86 -","2","0.5","","Sun, Qiao-Qiao; Li, Qian; Li, Hai-Yang; Zhang, Miao-Miao; Sun, Meng-En; Li, Si; Quan, Zewei; Zang, Shuang-Quan","Thermochromism and piezochromism of an atomically precise high-nuclearity silver sulfide nanocluster.","Chemical communications (Cambridge, England)","2021","57","19","2372","2375","10.1039/d0cc07085h","","x-ray","1.54184","CuKα","","0.0937","0.0786","","","0.2248","0.2384","","","","","","1.068","","","","has coordinates,has disorder","263638","2021-04-05","13:59:47",""
"7127871","17.4596","0.0009","18.8819","0.001","19.6255","0.001","103.748","0.004","110.733","0.004","93.756","0.004","5797.3","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C213 H332 Au15.37 Cl2 Cu16.63 O3 S20 -","- C200 H300 Au15.37 Cu16.63 S20 -","- C200 H300 Au15.37 Cu16.63 S20 -","1","0.5","","Tang, Li; Deng, Shiyao; Wang, Shuxin; Pei, Yong; Zhu, Manzhou","Total structural determination of alloyed Au<sub>15.37</sub>Cu<sub>16.63</sub>(S-Adm)<sub>20</sub> nanoclusters with double superatomic chains.","Chemical communications (Cambridge, England)","2021","57","16","2017","2020","10.1039/d0cc07482a","","","1.54186","CuKα","","0.1261","0.0856","","","0.2071","0.2247","","","","","","0.997","","","","has coordinates,has disorder","262481","2021-03-05","01:18:23",""
"7127872","43.518","0.011","18.722","0.005","24.326","0.006","90","","97.866","0.003","90","","19633","9","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","(C75H78N6O9)Fe(BF4)2(CHCl3)2.6(C6H6)3.9","","","- C101 H104 B2 Cl7.8 F8 Fe N6 O9 -","- C101 H104 B2 Cl7.8 F8 Fe N6 O9 -","- C808 H832 B16 Cl62.4 F64 Fe8 N48 O72 -","8","1","","Morita, Hiroki; Akine, Shigehisa; Nakamura, Takashi; Nabeshima, Tatsuya","Exclusive formation of a meridional complex of a tripodand and perfect suppression of guest recognition.","Chemical communications (Cambridge, England)","2021","57","17","2124","2127","10.1039/d1cc00146a","","","0.71069","MoKα","","0.1034","0.059","","","0.1457","0.1639","","","","","","1.042","","","","has coordinates,has disorder","262473","2021-03-05","01:16:22",""
"7127873","12.2076","0.0015","22.78","0.003","10.9946","0.0013","90","","105.542","0.002","90","","2945.7","0.6","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 F N2 O3 -","- C37 H31 F N2 O3 -","- C148 H124 F4 N8 O12 -","4","1","","Zhang, Heng; Guan, Xu-Kai; Sun, Dong-Yang; Liu, Guo-Feng; Gao, Ji-Gang; Zhang, Guang-Liang; Zhang, Suo-Qin","Asymmetric syntheses of spiro[benzofuro-cyclopenta[1,2-b]indole-indoline] scaffolds via consecutive cyclization.","Chemical communications (Cambridge, England)","2021","57","18","2313","2316","10.1039/d0cc08083g","","","0.71073","MoKα","","0.132","0.0736","","","0.1888","0.2238","","","","","","1.027","","","","has coordinates","262508","2021-03-05","01:23:23",""
"7127874","7.1017","0.0005","8.7972","0.0006","23.5265","0.0017","90","","95.855","0.003","90","","1462.15","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H17 B10 N S -","- C8 H17 B10 N S -","- C32 H68 B40 N4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","0.71073","MoKα","","0.0549","0.0419","","","0.1071","0.1163","","","","","","1.044","","","","has coordinates","263637","2021-04-05","13:59:07",""
"7127875","13.0313","0.0007","12.7774","0.0007","9.047","0.0004","90","","90","","90","","1506.38","0.13","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H17 B10 N O S -","- C8 H17 B10 N O S -","- C32 H68 B40 N4 O4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.0653","0.0397","","","0.0941","0.1042","","","","","","1.049","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127876","8.88","0.003","12.558","0.003","14.122","0.003","90","","90","","90","","1574.8","0.7","200","2","200.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 B10 Br N S -","- C8 H16 B10 Br N S -","- C32 H64 B40 Br4 N4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.055","0.0417","","","0.103","0.1088","","","","","","1.022","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127877","17.146","0.0007","9.4","0.0004","16.8416","0.0007","90","","97.623","0.002","90","","2690.41","0.19","173","2","173.02","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H30 B9 Cl3 N Rh S -","- C18 H30 B9 Cl3 N Rh S -","- C72 H120 B36 Cl12 N4 Rh4 S4 -","4","0.5","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.036","0.0339","","","0.0905","0.0921","","","","","","1.042","","","","has coordinates,has disorder","263637","2021-04-05","13:59:08",""
"7127878","8.7616","0.0003","14.8923","0.0007","18.1794","0.0008","90","","90","","90","","2372.05","0.17","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 B10 Cl Ir N S -","- C17 H29 B10 Cl Ir N S -","- C68 H116 B40 Cl4 Ir4 N4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","0.71073","MoKα","","0.029","0.0256","","","0.0495","0.0505","","","","","","1.035","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127879","15.9981","0.0006","15.7969","0.0005","19.0542","0.0007","90","","90","","90","","4815.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H31 B10 Cl N Rh S -","- C18 H31 B10 Cl N Rh S -","- C144 H248 B80 Cl8 N8 Rh8 S8 -","8","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.0627","0.0497","","","0.1219","0.1323","","","","","","1.042","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127880","9.6689","0.0005","13.6644","0.0008","15.5496","0.0008","103.901","0.003","93.292","0.003","106.301","0.003","1896.81","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H23 B10 N O S Si -","- C10 H23 B10 N O S Si -","- C40 H92 B40 N4 O4 S4 Si4 -","4","2","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.54178","CuKα","","0.0497","0.0402","","","0.1059","0.1124","","","","","","1.061","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127881","16.183","0.002","15.932","0.002","19.224","0.003","90","","90","","90","","4956.5","1.2","296","2","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H31 B10 Cl Ir N S -","- C18 H31 B10 Cl Ir N S -","- C144 H248 B80 Cl8 Ir8 N8 S8 -","8","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","0.71073","MoKα","","0.0637","0.0331","","","0.0786","0.0948","","","","","","1.034","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127882","17.5863","0.0007","5.6213","0.0002","11.9738","0.0005","90","","90","","90","","1183.7","0.08","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C10 H18 B2 N2 -","- C10 H18 B2 N2 -","- C40 H72 B8 N8 -","4","0.5","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0474","0.0385","","","0.1","0.106","","","","","","1.08","","","","has coordinates","263662","2021-04-05","14:05:43",""
"7127883","16.2232","0.0006","10.2407","0.0004","12.6695","0.0005","90","","94.201","0.003","90","","2099.22","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B2 N2 O Si2 -","- C14 H30 B2 N2 O Si2 -","- C56 H120 B8 N8 O4 Si8 -","4","1","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0722","0.0431","","","0.1053","0.1181","","","","","","1.011","","","","has coordinates","263662","2021-04-05","14:05:54",""
"7127884","17.582","0.003","14.6013","0.0018","11.2104","0.0017","90","","107.223","0.007","90","","2748.9","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 B2 Co4 N2 O12 -","- C20 H14 B2 Co4 N2 O12 -","- C80 H56 B8 Co16 N8 O48 -","4","0.5","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.054","0.0342","","","0.0614","0.0669","","","","","","0.993","","","","has coordinates","263662","2021-04-05","14:05:54",""
"7127885","18.1518","0.0012","6.7454","0.0004","12.0546","0.0008","90","","124.587","0.002","90","","1215.12","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 B2 N2 O -","- C10 H18 B2 N2 O -","- C40 H72 B8 N8 O4 -","4","0.5","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0476","0.0431","","","0.1202","0.1241","","","","","","1.116","","","","has coordinates","263662","2021-04-05","14:05:54",""
"7127886","28.1055","0.0015","5.9611","0.0004","12.3603","0.0008","90","","103.971","0.003","90","","2009.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 B2 N2 Si2 -","- C14 H30 B2 N2 Si2 -","- C56 H120 B8 N8 Si8 -","4","0.5","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0422","0.036","","","0.0934","0.0975","","","","","","1.075","","","","has coordinates","263662","2021-04-05","14:05:54",""
"7127887","13.8008","0.0009","6.3504","0.0004","12.1141","0.0007","90","","90.588","0.003","90","","1061.63","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 B2 N2 -","- C8 H14 B2 N2 -","- C32 H56 B8 N8 -","4","0.5","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0469","0.0378","","","0.0956","0.1027","","","","","","1.07","","","","has coordinates","263662","2021-04-05","14:05:54",""
"7127888","20.8512","0.0003","21.3528","0.0003","18.4332","0.0003","90","","90","","90","","8207","0.2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C110 H134 B8 Co16 N8 O48 Si8 -","- C110 H134 B8 Co16 N8 O48 Si8 -","- C220 H268 B16 Co32 N16 O96 Si16 -","2","0.25","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0634","0.0575","","","0.1396","0.1417","","","","","","1.349","","","","has coordinates,has disorder","263662","2021-04-05","14:05:54",""
"7127889","15.6359","0.0006","11.9136","0.0005","16.381","0.0006","90","","102.757","0.002","90","","2976.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 B2 Co4 N2 O12 -","- C22 H18 B2 Co4 N2 O12 -","- C88 H72 B8 Co16 N8 O48 -","4","1","","Schorr, Fabian; Fantuzzi, Felipe; Dewhurst, Rian D.; Braunschweig, Holger","Dialkynyldiboranes(4) and the selectable reactivity of their C-H, C[triple bond, length as m-dash]C and B-B bonds.","Chemical communications (Cambridge, England)","2021","57","21","2645","2648","10.1039/d1cc00265a","","","0.71073","MoKα","","0.0379","0.0289","","","0.0679","0.0716","","","","","","1.04","","","","has coordinates","263662","2021-04-05","14:05:54",""
"7127890","10.689","0.003","11.002","0.003","13.971","0.002","87.527","0.017","79.02","0.014","74.46","0.009","1553.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H7.5 Ag2 B11 Br6 I5 N2.5 -","- C6 H6 Ag2 B11 Br6 I5 N2.5 -","- C12 H12 Ag4 B22 Br12 I10 N5 -","2","1","","Wan, Rong; Liu, Zhen; Ma, Xinyi; Li, Huafeng; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Discovery of two Na<sup>+</sup>-centered Silverton-type polyoxometalates {NaM<sub>12</sub>O<sub>42</sub>} (M = Mo, W).","Chemical communications (Cambridge, England)","2021","57","17","2172","2175","10.1039/d0cc07590f","","","0.71073","MoKα","","0.094","0.0693","","","0.1717","0.1883","","","","","","1.079","","","","has coordinates,has disorder","262474","2021-03-05","01:16:42",""
"7127891","17.9539","0.0009","17.9539","0.0009","17.9539","0.0009","90","","90","","90","","5787.3","0.5","296","2","296.15","","","","","","","","","7","P -4 3 n","P -4n 2 3","218","","","","- C24 H72 Na4 O57 Ru4 S12 W12 -","- C24 H72 Na4 O57 Ru4 S12 W12 -","- C48 H144 Na8 O114 Ru8 S24 W24 -","2","0.0833333","","Wan, Rong; Liu, Zhen; Ma, Xinyi; Li, Huafeng; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","Discovery of two Na<sup>+</sup>-centered Silverton-type polyoxometalates {NaM<sub>12</sub>O<sub>42</sub>} (M = Mo, W).","Chemical communications (Cambridge, England)","2021","57","17","2172","2175","10.1039/d0cc07590f","","","0.71073","MoKα","","0.0397","0.0277","","","0.072","0.0779","","","","","","1.124","","","","has coordinates","262474","2021-03-05","01:16:45",""
"7127892","25.774","0.003","17.2923","0.0018","17.006","0.0018","90","","92.749","0.003","90","","7570.7","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58.68 B2 N -","- C43 H58.6795 B2 N -","- C344 H469.436 B16 N8 -","8","2","","Crumbach, Merian; Ayhan, Ozan; Fritze, Lars; Sprenger, Jan A. P.; Zapf, Ludwig; Finze, Maik; Helten, Holger","BNB-doped phenalenyls - aromaticity switch upon one-electron reduction.","Chemical communications (Cambridge, England)","2021","57","19","2408","2411","10.1039/d0cc07671f","","","0.71073","MoKα","","0.1529","0.0694","","","0.1473","0.1824","","","","","","1.022","","","","has coordinates,has disorder","263639","2021-04-05","13:59:59",""
"7127893","20.0781","0.0007","7.6006","0.0003","22.0644","0.0007","90","","100.534","0.001","90","","3310.4","0.2","100","2","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31.45 H17.45 B2 Cl1.36 F18 N O0 -","- C31.456 H17.456 B2 Cl1.368 F18 N -","- C125.824 H69.824 B8 Cl5.472 F72 N4 -","4","1","","Crumbach, Merian; Ayhan, Ozan; Fritze, Lars; Sprenger, Jan A. P.; Zapf, Ludwig; Finze, Maik; Helten, Holger","BNB-doped phenalenyls - aromaticity switch upon one-electron reduction.","Chemical communications (Cambridge, England)","2021","57","19","2408","2411","10.1039/d0cc07671f","","","0.71073","MoKα","","0.086","0.0663","","","0.1653","0.1801","","","","","","1.063","","","","has coordinates,has disorder","263639","2021-04-05","14:00:00",""
"7127894","28.0551","0.0004","17.812","0.0002","28.6373","0.0004","90","","104.597","0.002","90","","13848.6","0.3","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5,10-bis(p-trifluoromethylphenyl)-1,14-dibenzylaminotripyrrin","","- C84 H62 F12 N10 -","- C84 H62 F12 N10 -","- C672 H496 F96 N80 -","8","1","","Ueta, Kento; Umetani, Masataka; Osuka, Atsuhiro; Pantoş, G Dan; Tanaka, Takayuki","Single- and double-helices of α,α'-dibenzylaminotripyrrin: solution and solid state studies.","Chemical communications (Cambridge, England)","2021","57","21","2617","2620","10.1039/d1cc00208b","","","1.54184","CuKα","","0.0703","0.0544","","","0.1486","0.1606","","","","","","1.047","","","","has coordinates,has disorder","263663","2021-04-05","14:06:05",""
"7127895","17.8208","0.0016","7.0277","0.0007","19.5682","0.0018","90","","90","","90","","2450.7","0.4","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H12 Br Cl O2 -","- C12 H12 Br Cl O2 -","- C96 H96 Br8 Cl8 O16 -","8","1","","Yoshida, Yasushi; Ishikawa, Seitaro; Mino, Takashi; Sakamoto, Masami","Bromonium salts: diaryl-λ<sup>3</sup>-bromanes as halogen-bonding organocatalysts.","Chemical communications (Cambridge, England)","2021","57","20","2519","2522","10.1039/d0cc07733j","","","1.54178","CuKα","","0.0281","0.0277","","","0.0743","0.0748","","","","","","1.053","","","","has coordinates","263646","2021-04-05","14:01:46",""
"7127896","8.243","0.0002","28.1258","0.0008","7.5353","0.0002","90","","105.165","0.001","90","","1686.15","0.08","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O5 S -","- C18 H16 N2 O5 S -","- C72 H64 N8 O20 S4 -","4","1","","Jia, Tingting; Zeng, Gongruixue; Zhang, Chong; Zeng, Linghui; Zheng, Wenya; Li, Siyao; Wu, Keyi; Shao, Jiaan; Zhang, Jiankang; Zhu, Huajian","The reaction of prop-2-ynylsulfonium salts and sulfonyl-protected β-amino ketones to epoxide-fused 2-methylenepyrrolidines and S-containing pyrroles.","Chemical communications (Cambridge, England)","2021","57","21","2657","2660","10.1039/d0cc07745c","","","0.71073","MoKα","","0.0393","0.0367","","","0.0936","0.0962","","","","","","1.065","","","","has coordinates","263658","2021-04-05","14:04:41",""
"7127897","14.1295","0.0004","9.5636","0.0003","14.5227","0.0004","90","","102.422","0.001","90","","1916.5","0.1","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 S2 -","- C20 H21 N O3 S2 -","- C80 H84 N4 O12 S8 -","4","1","","Jia, Tingting; Zeng, Gongruixue; Zhang, Chong; Zeng, Linghui; Zheng, Wenya; Li, Siyao; Wu, Keyi; Shao, Jiaan; Zhang, Jiankang; Zhu, Huajian","The reaction of prop-2-ynylsulfonium salts and sulfonyl-protected β-amino ketones to epoxide-fused 2-methylenepyrrolidines and S-containing pyrroles.","Chemical communications (Cambridge, England)","2021","57","21","2657","2660","10.1039/d0cc07745c","","","0.71073","MoKα","","0.0338","0.0308","","","0.0852","0.0878","","","","","","1.051","","","","has coordinates","263658","2021-04-05","14:04:44",""
"7127898","13.817","0.001","27.779","0.002","19.3544","0.0013","90","","107.003","0.002","90","","7103.9","0.9","135","2","135","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H92 F2 Ge N6 S6 -","- C71 H92 F2 Ge N6 S6 -","- C284 H368 F8 Ge4 N24 S24 -","4","1","","Tran, Phuong M.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Carbene-mediated synthesis of a germanium tris(dithiolene)dianion.","Chemical communications (Cambridge, England)","2021","57","20","2543","2546","10.1039/d0cc08206f","","","0.71073","MoKα","","0.0622","0.04","","","0.0812","0.0886","","","","","","1.043","","","","has coordinates","263642","2021-04-05","14:01:06",""
"7127899","18.9013","0.0012","22.8865","0.0015","32.511","0.002","82.466","0.002","86.258","0.002","88.632","0.002","13911","1.5","135","2","135","2","","","","","","","","7","P -1","-P 1","2","","","","- C276 H362 Cl2 F16 Ge2 N24 S18 -","- C276 H362 Cl2 F16 Ge2 N24 S18 -","- C552 H724 Cl4 F32 Ge4 N48 S36 -","2","1","","Tran, Phuong M.; Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, 3rd, Henry F; Robinson, Gregory H.","Carbene-mediated synthesis of a germanium tris(dithiolene)dianion.","Chemical communications (Cambridge, England)","2021","57","20","2543","2546","10.1039/d0cc08206f","","","0.71073","MoKα","","0.1413","0.0692","","","0.1415","0.1717","","","","","","1.004","","","","has coordinates,has disorder","263642","2021-04-05","14:01:06",""
"7127900","13.5246","0.0011","14.1422","0.0011","20.78","0.0015","78.353","0.003","76.753","0.002","63.302","0.002","3433.9","0.5","149.98","","149.98","","","","","","","","","6","P -1","-P 1","2","","","","- C53 H86.68 Fe N3 O22 Ti5 -","- C53 H86.69 Fe N3 O22 Ti5 -","- C106 H173.38 Fe2 N6 O44 Ti10 -","2","1","","Han, Er-Meng; Yu, Wei-Dong; Li, Lei-Jiao; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Accurate assembly of ferrocene-functionalized {Ti22Fc4} clusters with photocatalytic amine oxidation activity.","Chemical communications (Cambridge, England)","2021","57","22","2792","2795","10.1039/d1cc00019e","","x-ray","0.71073","MoKα","","0.064","0.0474","","","0.1186","0.1335","","","","","","1.022","","","","has coordinates,has disorder","263619","2021-04-05","13:53:04",""
"7127901","21.8611","0.0006","21.3692","0.0005","25.6759","0.0009","90","","110.058","0.003","90","","11267.1","0.6","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H137 Fe2 N10 O39 Ti11 -","- C83 H137 Fe2 N10 O40 Ti11 -","- C332 H548 Fe8 N40 O160 Ti44 -","4","1","","Han, Er-Meng; Yu, Wei-Dong; Li, Lei-Jiao; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Accurate assembly of ferrocene-functionalized {Ti22Fc4} clusters with photocatalytic amine oxidation activity.","Chemical communications (Cambridge, England)","2021","57","22","2792","2795","10.1039/d1cc00019e","","x-ray","1.54184","CuKα","","0.1018","0.0675","","","0.1689","0.1951","","","","","","1.031","","","","has coordinates,has disorder","263619","2021-04-05","13:53:06",""
"7127902","22.0941","0.0006","22.6404","0.0007","25.2924","0.0008","114.715","0.001","95.411","0.001","91.836","0.001","11405.8","0.6","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C166 H273.12 Fe4 N12 O80 Ti22 -","- C166 H273.11 Fe4 N12 O80 Ti22 -","- C332 H546.22 Fe8 N24 O160 Ti44 -","2","1","","Han, Er-Meng; Yu, Wei-Dong; Li, Lei-Jiao; Yi, Xiao-Yi; Yan, Jun; Liu, Chao","Accurate assembly of ferrocene-functionalized {Ti22Fc4} clusters with photocatalytic amine oxidation activity.","Chemical communications (Cambridge, England)","2021","57","22","2792","2795","10.1039/d1cc00019e","","x-ray","0.71073","MoKα","","0.1631","0.0858","","","0.2366","0.2683","","","","","","1.073","","","","has coordinates,has disorder","263619","2021-04-05","13:53:06",""
"7127903","13.4567","0.0003","13.4567","0.0003","13.4567","0.0003","90","","90","","90","","2436.78","0.09","293","2","293","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C24 K12 Mn4 Na4 O48 -","- C24 K12 Mn4 Na4 O48 -","- C48 K24 Mn8 Na8 O96 -","2","0.0416667","","He, Xiaolong; Zhang, Xinyuan; Ji, Bifa; Yao, Wenjiao; Lightfoot, Philip; Tang, Yongbing","Tilting and twisting in a novel perovzalate, K<sub>3</sub>NaMn(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>.","Chemical communications (Cambridge, England)","2021","57","20","2567","2570","10.1039/d1cc00085c","","","0.71073","MoKα","","0.0216","0.0209","","","0.0604","0.0608","","","","","","1.156","","","","has coordinates","263647","2021-04-05","14:01:54",""
"7127904","25.01159","0.00015","19.41543","0.00012","33.7313","0.0002","90","","100.884","0.0006","90","","16085.6","0.17","119.99","0.1","119.99","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C151 H250 Al4 K4 N8 O4 S4 Si8 -","- C112 H184 Al4 K4 N8 O4 S4 Si8 -","- C448 H736 Al16 K16 N32 O16 S16 Si32 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","1.54184","CuKα","","0.0485","0.0386","","","0.1063","0.1123","","","","","","1.024","","","","has coordinates","263661","2021-04-05","14:05:23",""
"7127905","15.2809","0.0002","13.31491","0.00014","20.2359","0.0003","90","","92.7748","0.0013","90","","4112.45","0.09","120","0.1","120","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H62 Al K N2 O3 Si2 Te -","- C36 H62 Al K N2 O3 Si2 Te -","- C144 H248 Al4 K4 N8 O12 Si8 Te4 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","1.54184","CuKα","","0.0356","0.0333","","","0.0879","0.0901","","","","","","1.027","","","","has coordinates,has disorder","263661","2021-04-05","14:05:23",""
"7127906","12.27766","0.00009","24.87997","0.00017","14.9006","0.00011","90","","94.3187","0.0006","90","","4538.73","0.06","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C74 H132 Al2 K2 N4 O10 S2 Si4 -","- C148 H264 Al4 K4 N8 O20 S4 Si8 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","1.54184","CuKα","","0.0365","0.0356","","","0.0955","0.0965","","","","","","1.022","","","","has coordinates,has disorder","263661","2021-04-05","14:05:23",""
"7127907","16.8489","0.0003","31.0207","0.0005","19.9738","0.0006","90","","90","","90","","10439.6","0.4","149.99","0.11","149.99","0.11","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C84 H149.017 Al2 K2 N4 O16 Si4 Te2 -","- C84 H149 Al2 K2 N4 O16 Si4 Te2 -","- C336 H596 Al8 K8 N16 O64 Si16 Te8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","0.71073","MoKα","","0.1074","0.0652","","","0.1378","0.1598","","","","","","1.021","","","","has coordinates,has disorder","263661","2021-04-05","14:05:23",""
"7127908","10.0626","0.0004","17.1004","0.0006","17.2361","0.0006","88.851","0.003","83.037","0.003","84.293","0.003","2929.33","0.19","149.95","0.15","149.95","0.15","","","","","","","","8","P -1","-P 1","2","","","","- C50 H90 Al K N4 O8 S Si2 -","- C50 H90 Al K N4 O8 S Si2 -","- C100 H180 Al2 K2 N8 O16 S2 Si4 -","2","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","1.54184","CuKα","","0.0876","0.0612","","","0.1382","0.151","","","","","","1.083","","","","has coordinates,has disorder","263661","2021-04-05","14:05:23",""
"7127909","15.4374","0.0002","13.47603","0.00018","22.5971","0.0003","90","","93.2318","0.0013","90","","4693.51","0.11","119.98","0.1","119.98","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H140 Al2 K2 N4 O12 Se2 Si4 -","- C82 H140 Al2 K2 N4 O12 Se2 Si4 -","- C164 H280 Al4 K4 N8 O24 Se4 Si8 -","2","0.5","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","1.54184","CuKα","","0.0436","0.035","","","0.0866","0.0918","","","","","","1.006","","","","has coordinates","263661","2021-04-05","14:05:23",""
"7127910","10.9554","0.0013","16.2655","0.0017","7.9831","0.0008","90","","109.324","0.012","90","","1342.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Br3 Cl N Pb -","- C7 H15 Br3 Cl N Pb -","- C28 H60 Br12 Cl4 N4 Pb4 -","4","1","","Qi, Zhikai; Chen, Yali; Guo, Yao; Yang, Xuelian; Gao, Huizhi; Zhou, Guojun; Li, Shi-Li; Zhang, Xian-Ming","Highly efficient self-trapped exciton emission in a one-dimensional face-shared hybrid lead bromide.","Chemical communications (Cambridge, England)","2021","57","20","2495","2498","10.1039/d0cc08218j","","x-ray","0.71073","MoKα","","0.1724","0.1128","","","0.2531","0.3068","","","","","","1.059","","","","has coordinates","263648","2021-04-05","14:02:01",""
"7127911","7.9537","0.0004","9.3223","0.0004","10.83","0.0005","84.687","0.003","74.704","0.003","69.975","0.002","727.73","0.06","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 Cl N2 O3 -","- C16 H13 Cl N2 O3 -","- C32 H26 Cl2 N4 O6 -","2","1","","Zhang, Xia-Yan; Dou, Pei-Hao; Lu, Wen-Ya; You, Yong; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Wei-Cheng","Benzylidene succinimides as 3C synthons for the asymmetric tandem Mannich reaction/transamidation of cyclic trifluoromethyl ketimines to obtain F<sub>3</sub>C-containing polycyclic dihydroquinazolinones.","Chemical communications (Cambridge, England)","2021","57","23","2927","2930","10.1039/d0cc08131k","","","1.34139","GaKα","","0.0577","0.0476","","","0.1171","0.1265","","","","","","1.066","","","","has coordinates","263655","2021-04-05","14:04:10",""
"7127912","9.5411","0.0003","13.6581","0.0005","12.605","0.0004","90","","89.913","0.003","90","","1642.6","0.09","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H29 Cl F3 N3 O6 -","- C33 H29 Cl F3 N3 O6 -","- C66 H58 Cl2 F6 N6 O12 -","2","1","","Zhang, Xia-Yan; Dou, Pei-Hao; Lu, Wen-Ya; You, Yong; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Wei-Cheng","Benzylidene succinimides as 3C synthons for the asymmetric tandem Mannich reaction/transamidation of cyclic trifluoromethyl ketimines to obtain F<sub>3</sub>C-containing polycyclic dihydroquinazolinones.","Chemical communications (Cambridge, England)","2021","57","23","2927","2930","10.1039/d0cc08131k","","x-ray","1.54184","CuKα","","0.0578","0.0481","","","0.1274","0.136","","","","","","1.03","","","","has coordinates,has disorder","263655","2021-04-05","14:04:10",""
"7127913","17.6122","0.001","22.2298","0.0014","26.3632","0.0014","70.629","0.004","81.477","0.003","72.911","0.004","9292.7","1","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C178 H190 F18 N12 O34 Rh6 S6 -","- C148 H132 F12 N6 O24 Rh6 S4 -","- C296 H264 F24 N12 O48 Rh12 S8 -","2","1","","Zhang, Ying-Ying; Qiu, Feng-Yi; Shi, Hua-Tian; Yu, Weibin","Self-assembly and guest-induced disassembly of triply interlocked [2]catenanes.","Chemical communications (Cambridge, England)","2021","57","24","3010","3013","10.1039/d0cc08052g","","","1.54178","CuKα","","0.0951","0.069","","","0.2068","0.2283","","","","","","1.08","","","","has coordinates","263616","2021-04-05","13:52:25",""
"7127914","35.2854","0.0019","32.1734","0.0018","37.719","0.002","90","","101.939","0.003","90","","41894","4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C172 H200 F18 N6 O51 Rh6 S6 -","- C156 H138 N6 O12 Rh6 -","- C1248 H1104 N48 O96 Rh48 -","8","2","","Zhang, Ying-Ying; Qiu, Feng-Yi; Shi, Hua-Tian; Yu, Weibin","Self-assembly and guest-induced disassembly of triply interlocked [2]catenanes.","Chemical communications (Cambridge, England)","2021","57","24","3010","3013","10.1039/d0cc08052g","","","1.34138","GaKα","","0.2288","0.1843","","","0.3926","0.4126","","","","","","1.122","","","","has coordinates","263616","2021-04-05","13:52:26",""
"7127915","16.902","0.002","16.902","0.002","83.022","0.01","90","","90","","120","","20540","4","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C114 H102 Cl24 N36 O18 Re6 -","- C102 H78 Cl12 N36 O18 Re6 -","- C612 H468 Cl72 N216 O108 Re36 -","6","0.166667","","Tadokoro, Makoto; Machida, Hironobu; Toyofuku, Ryuji; Murakami, Megumi; Kamebuchi, Hajime; Isoda, Kyosuke; Kobayashi, Fumiya; Takahashi, Kiyonori; Noro, Shin'ichiro; Nakamura, Takayoshi","Gas sorption of nano-porous supramolecules formed by multi-hydrogen bonded coordination capsules.","Chemical communications (Cambridge, England)","2021","57","18","2249","2252","10.1039/d0cc07869g","","","0.71073","MoKα","","0.0726","0.0659","","","0.1782","0.1816","","","","","","1.115","","","","has coordinates","262505","2021-03-05","01:22:46",""
"7127916","15.5799","0.0008","13.3433","0.0007","14.166","0.0007","90","","92.824","0.002","90","","2941.4","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N8 Ni O6 -","- C30 H26 N8 Ni O6 -","- C120 H104 N32 Ni4 O24 -","4","1","","Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.","A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.","Chemical communications (Cambridge, England)","2021","57","22","2780","2783","10.1039/d0cc07886g","","","0.71073","MoKα","","0.0514","0.0336","","","0.0721","0.078","","","","","","1.009","","","","has coordinates","263622","2021-04-05","13:53:46",""
"7127917","9.3273","0.0004","10.2918","0.0005","10.8763","0.0005","95.137","0.002","95.8","0.002","107.67","0.002","981.73","0.08","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Br2 N3 Ni O -","- C19 H21 Br2 N3 Ni O -","- C38 H42 Br4 N6 Ni2 O2 -","2","1","","Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.","A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.","Chemical communications (Cambridge, England)","2021","57","22","2780","2783","10.1039/d0cc07886g","","","0.71073","MoKα","","0.0388","0.0327","","","0.0855","0.089","","","","","","1.052","","","","has coordinates","263622","2021-04-05","13:53:47",""
"7127918","7.136","0.0003","8.8312","0.0003","13.1888","0.0005","72.909","0.002","79.406","0.002","87.141","0.002","780.9","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Br4 N6 Ni2 -","- C30 H26 Br4 N6 Ni2 -","- C30 H26 Br4 N6 Ni2 -","1","0.5","","Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.","A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.","Chemical communications (Cambridge, England)","2021","57","22","2780","2783","10.1039/d0cc07886g","","","0.71073","MoKα","","0.0203","0.0176","","","0.0375","0.0384","","","","","","1.084","","","","has coordinates","263622","2021-04-05","13:53:47",""
"7127919","14.0747","0.0015","8.1646","0.001","24.161","0.003","90","","96.931","0.004","90","","2756.2","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N8 Ni2 O2 -","- C30 H24 N8 Ni2 O2 -","- C120 H96 N32 Ni8 O8 -","4","1","","Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.","A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.","Chemical communications (Cambridge, England)","2021","57","22","2780","2783","10.1039/d0cc07886g","","","0.71073","MoKα","","0.0437","0.0319","","","0.0795","0.0868","","","","","","1.029","","","","has coordinates","263622","2021-04-05","13:53:47",""
"7127920","8.0659","0.0003","9.0221","0.0003","12.137","0.0005","90.507","0.001","106.951","0.001","100.125","0.001","830","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Br2 N8 Ni2 -","- C34 H30 Br2 N8 Ni2 -","- C34 H30 Br2 N8 Ni2 -","1","0.5","","Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.","A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.","Chemical communications (Cambridge, England)","2021","57","22","2780","2783","10.1039/d0cc07886g","","","0.71073","MoKα","","0.048","0.0324","","","0.0666","0.0713","","","","","","1.008","","","","has coordinates","263622","2021-04-05","13:53:47",""
"7127921","15.327","0.003","26.533","0.006","15.588","0.004","90","","102.497","0.007","90","","6189","2","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N7 Ni O3 -","- C30 H25 N7 Ni O3 -","- C240 H200 N56 Ni8 O24 -","8","2","","Cabelof, Alyssa C.; Carta, Veronica; Caulton, Kenneth G.","A proton-responsive ligand becomes a dimetal linker for multisubstrate assembly <i>via</i> nitrate deoxygenation.","Chemical communications (Cambridge, England)","2021","57","22","2780","2783","10.1039/d0cc07886g","","","0.71073","MoKα","","0.2075","0.067","","","0.1367","0.1869","","","","","","0.918","","","","has coordinates,has disorder","263622","2021-04-05","13:53:47",""
"7127922","9.1482","0.0009","12.6677","0.0013","19.356","0.002","98.241","0.003","97.455","0.003","99.31","0.003","2163.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F3 N O3 S -","- C24 H18 F3 N O3 S -","- C96 H72 F12 N4 O12 S4 -","4","2","","Yao, Yanfang; Yin, Ziqing; He, Fu-Sheng; Qin, Xuwei; Xie, Wenlin; Wu, Jie","Photoinduced intramolecular carbosulfonylation of alkynes: access to sulfone-containing dibenzazepines from sulfur dioxide.","Chemical communications (Cambridge, England)","2021","57","23","2883","2886","10.1039/d0cc07927h","","","1.34138","GaKα","","0.0598","0.0575","","","0.1786","0.1815","","","","","","1.061","","","","has coordinates,has disorder","263652","2021-04-05","14:02:47",""
"7127923","9.2682","0.0003","11.942","0.0002","12.8815","0.0003","72.119","0.002","75.806","0.002","85.257","0.002","1315.4","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H42 N4 -","- C29 H42 N4 -","- C58 H84 N8 -","2","1","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","1.54184","CuKα","","0.0408","0.0398","","","0.1013","0.1021","","","","","","1.022","","","","has coordinates,has disorder","263624","2021-04-05","13:54:42",""
"7127924","10.7878","0.0005","11.4686","0.0005","13.0738","0.0004","92.946","0.003","94.35","0.003","101.494","0.004","1576.83","0.11","101","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H41 Al I2 N4 -","- C29 H41 Al I2 N4 -","- C58 H82 Al2 I4 N8 -","2","1","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","0.71073","MoKα","","0.0458","0.036","","","0.1005","0.1074","","","","","","1.071","","","","has coordinates","263624","2021-04-05","13:54:42",""
"7127925","22.5974","0.0002","10.01899","0.00009","28.1598","0.0003","90","","100.727","0.001","90","","6264.06","0.11","100","0.02","100","0.02","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H94 Al2 N8 -","- C70 H94 Al2 N8 -","- C280 H376 Al8 N32 -","4","0.5","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","1.54184","CuKα","","0.0389","0.0369","","","0.0972","0.0986","","","","","","1.025","","","","has coordinates","263624","2021-04-05","13:54:42",""
"7127926","29.0327","0.0007","9.5324","0.0002","20.7873","0.0006","90","","96.762","0.002","90","","5712.9","0.2","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H41 Ga N4 -","- C29 H41 Ga N4 -","- C232 H328 Ga8 N32 -","8","1","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","0.71073","MoKα","","0.0572","0.0399","","","0.0893","0.096","","","","","","1.034","","","","has coordinates","263624","2021-04-05","13:54:42",""
"7127927","21.5254","0.0002","10.2619","0.0001","30.784","0.0003","90","","94.43","0.001","90","","6779.61","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 Fe Ga N4 O4 -","- C33 H41 Fe Ga N4 O4 -","- C264 H328 Fe8 Ga8 N32 O32 -","8","1","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","0.71073","MoKα","","0.0396","0.0316","","","0.0787","0.0817","","","","","","1.039","","","","has coordinates","263624","2021-04-05","13:54:42",""
"7127928","17.06791","0.00019","9.46993","0.00003","28.679","0.0003","90","","142.49","0.002","90","","2822.52","0.14","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 In N4 -","- C29 H41 In N4 -","- C116 H164 In4 N16 -","4","1","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","1.54184","CuKα","","0.0267","0.0266","","","0.0708","0.0709","","","","","","1.056","","","","has coordinates","263624","2021-04-05","13:54:42",""
"7127929","17.0492","0.0001","9.3814","0.0001","18.4404","0.0001","90","","107.63","0.001","90","","2810.93","0.04","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N4 Tl -","- C29 H41 N4 Tl -","- C116 H164 N16 Tl4 -","4","1","","Denker, Lars; Trzaskowski, Bartosz; Frank, René","""Give me five"" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.","Chemical communications (Cambridge, England)","2021","57","22","2816","2819","10.1039/d1cc00010a","","","0.71073","MoKα","","0.0433","0.0301","","","0.0561","0.0585","","","","","","1.093","","","","has coordinates","263624","2021-04-05","13:54:42",""
"7127930","8.0986","0.0003","9.9827","0.0004","11.1882","0.0004","87.935","0.003","77.417","0.004","73.219","0.003","844.85","0.06","151","40","151","40","","","","","","","","3","P -1","-P 1","2","","","","- C20 H23 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert","Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.","Chemical communications (Cambridge, England)","2021","57","19","2356","2359","10.1039/d0cc07103j","","x-ray","1.54184","CuKα","","0.0608","0.0572","","","0.159","0.1629","","","","","","1.044","","","","has coordinates,has disorder","263635","2021-04-05","13:58:42",""
"7127931","11.8598","0.0002","18.0388","0.0003","17.3344","0.0002","90","","92.713","0.001","90","","3704.31","0.1","123.01","0.1","123.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 N2 P2 -","- C37 H54 N2 P2 -","- C148 H216 N8 P8 -","4","1","","Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert","Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.","Chemical communications (Cambridge, England)","2021","57","19","2356","2359","10.1039/d0cc07103j","","x-ray","1.54184","CuKα","","0.039","0.0363","","","0.0964","0.0987","","","","","","1.045","","","","has coordinates,has disorder","263635","2021-04-05","13:58:42",""
"7127932","7.5819","0.0002","12.0396","0.0004","15.5332","0.0006","87.68","0.003","88.235","0.003","72.214","0.003","1348.79","0.08","123","0.1","123","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","2","","Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert","Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.","Chemical communications (Cambridge, England)","2021","57","19","2356","2359","10.1039/d0cc07103j","","x-ray","1.54184","CuKα","","0.0404","0.0364","","","0.0962","0.1004","","","","","","1.037","","","","has coordinates","263635","2021-04-05","13:58:42",""
"7127933","8.5803","0.0002","10.6253","0.0002","35.5315","0.0008","93.857","0.002","95.926","0.002","110.711","0.002","2995.01","0.12","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N2 P2 -","- C31 H42 N2 P2 -","- C124 H168 N8 P8 -","4","2","","Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert","Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.","Chemical communications (Cambridge, England)","2021","57","19","2356","2359","10.1039/d0cc07103j","","x-ray","1.54184","CuKα","","0.0647","0.05","","","0.1221","0.1317","","","","","","1.026","","","","has coordinates","263635","2021-04-05","13:58:42",""
"7127934","18.431","0.0012","8.6721","0.0007","20.5999","0.0013","90","","94.086","0.006","90","","3284.2","0.4","123","0.1","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33.85 H45.56 N2 O2 P2 -","- C34 H46 N2 O2 P2 -","- C136 H184 N8 O8 P8 -","4","1","","Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert","Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.","Chemical communications (Cambridge, England)","2021","57","19","2356","2359","10.1039/d0cc07103j","","x-ray","1.54184","CuKα","","0.1502","0.083","","","0.1821","0.2086","","","","","","1.042","","","","has coordinates,has disorder","263635","2021-04-05","13:58:42",""
"7127935","15.7329","0.0004","8.3859","0.0002","19.9061","0.0004","90","","94.152","0.002","90","","2619.41","0.11","290","13","290","13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 N4 P2 -","- C24 H42 N4 P2 -","- C96 H168 N16 P8 -","4","1","","Hierlmeier, Gabriele; Uttendorfer, Maria K.; Wolf, Robert","Di-<i>tert</i>-butyldiphosphatetrahedrane as a building block for phosphaalkenes and phosphirenes.","Chemical communications (Cambridge, England)","2021","57","19","2356","2359","10.1039/d0cc07103j","","x-ray","1.54184","CuKα","","0.0505","0.0403","","","0.1067","0.1143","","","","","","1.024","","","","has coordinates","263635","2021-04-05","13:58:42",""
"7127936","16.9144","0.0008","7.7719","0.0004","22.6944","0.001","90","","107.66","0.001","90","","2842.7","0.2","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H17 N -","- C20 H17 N -","- C160 H136 N8 -","8","2","","Cheng, Cang; Zuo, Xiang; Tu, Dongdong; Wan, Bin; Zhang, Yanghui","Palladium-catalyzed diastereoselective cross-coupling of two aryl halides <i>via</i> C-H activation: synthesis of chiral eight-membered nitrogen heterocycles.","Chemical communications (Cambridge, England)","2021","57","23","2939","2942","10.1039/d1cc00398d","","","1.54178","CuKα","","0.0385","0.0383","","","0.1007","0.1009","","","","","","1.035","","","","has coordinates","263651","2021-04-05","14:02:39",""
"7127937","8.4284","0.0006","11.4357","0.0009","17.5925","0.0013","90","","90","","90","","1695.6","0.2","101","","101","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br2 N -","- C20 H15 Br2 N -","- C80 H60 Br8 N4 -","4","1","","Cheng, Cang; Zuo, Xiang; Tu, Dongdong; Wan, Bin; Zhang, Yanghui","Palladium-catalyzed diastereoselective cross-coupling of two aryl halides <i>via</i> C-H activation: synthesis of chiral eight-membered nitrogen heterocycles.","Chemical communications (Cambridge, England)","2021","57","23","2939","2942","10.1039/d1cc00398d","","","0.71073","MoKα","","0.0255","0.0225","","","0.048","0.049","","","","","","1.004","","","","has coordinates","263651","2021-04-05","14:02:39",""
"7127938","18.392","0.0008","12.0721","0.0005","14.3164","0.0005","90","","90.39","0.002","90","","3178.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 N4 -","- C40 H30 Cl2 N4 -","- C160 H120 Cl8 N16 -","4","1","","Wang, Runju; Yin, Ying; Xu, Kui; Wu, Lamei; Huang, Zhengxi; Hsu, Hsien-Yi; Sessler, Jonathan L.; Zhang, Zhan","Doubly N-confused phlorin and phlorinone analogue.","Chemical communications (Cambridge, England)","2021","57","22","2772","2775","10.1039/d1cc00216c","","","0.71073","MoKα","","0.0581","0.0361","","","0.0854","0.0975","","","","","","0.998","","","","has coordinates","263618","2021-04-05","13:52:45",""
"7127939","15.3032","0.0003","16.6779","0.0003","17.5125","0.0004","64.714","0.001","73.361","0.001","77.895","0.001","3852.41","0.14","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Cl2 N4 O2 -","- C45.9995 H42 Cl2 N4 O2 -","- C183.998 H168 Cl8 N16 O8 -","4","2","","Wang, Runju; Yin, Ying; Xu, Kui; Wu, Lamei; Huang, Zhengxi; Hsu, Hsien-Yi; Sessler, Jonathan L.; Zhang, Zhan","Doubly N-confused phlorin and phlorinone analogue.","Chemical communications (Cambridge, England)","2021","57","22","2772","2775","10.1039/d1cc00216c","","","1.54178","CuKα","","0.0762","0.0552","","","0.1372","0.1517","","","","","","1.026","","","","has coordinates,has disorder","263618","2021-04-05","13:52:46",""
"7127940","9.259","0.002","12.501","0.003","5.7467","0.0011","90","","92.46","0.02","90","","664.5","0.2","107","2","107","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,3-dinitrato-oxetane","3,3-dinitrato-oxetane","","- C3 H4 N2 O7 -","- C3 H4 N2 O7 -","- C12 H16 N8 O28 -","4","1","","Born, Max; Fessard, Thomas C.; Göttemann, Lucas; Klapötke, Thomas M; Stierstorfer, Jörg; Voggenreiter, Michael","3,3-Dinitratooxetane - an important leap towards energetic oxygen-rich monomers and polymers.","Chemical communications (Cambridge, England)","2021","57","22","2804","2807","10.1039/d1cc00466b","","x-ray","0.71073","MoKα","","0.1211","0.0749","","","0.1449","0.1672","","","","","","1.049","","","","has coordinates","263621","2021-04-05","13:53:31",""
"7127941","29.5695","0.0007","20.0007","0.0007","16.8654","0.0004","90","","104.018","0.002","90","","9677.3","0.5","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C138 H182 N24 O25 Pd4 S Si8 -","- C138 H182 N24 O25 Pd4 S Si8 -","- C276 H364 N48 O50 Pd8 S2 Si16 -","2","0.25","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.71073","MoKα","","0.1381","0.112","","","0.3003","0.3258","","","","","","1.076","","","","has coordinates,has disorder","263654","2021-04-05","14:03:58",""
"7127942","33.763","0.007","25.417","0.005","25.901","0.005","90","","90","","90","","22227","8","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C136 H176 N24 O24 Pd4 Si8 -","- C136 H176 N24.091 O24.273 Pd4 Si8 -","- C544 H704 N96.364 O97.092 Pd16 Si32 -","4","1","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.8","synchrotron","","0.1333","0.0732","","","0.1997","0.2309","","","","","","0.846","","","","has coordinates,has disorder","263654","2021-04-05","14:03:58",""
"7127943","18.542","0.004","22.252","0.004","27.335","0.005","89.28","0.03","79.37","0.03","68.4","0.03","10287","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H176 B8 F32 N16 Pd4 Si8 -","- C136 H176 B3 F12 N16 Pd4 Si8 -","- C272 H352 B6 F24 N32 Pd8 Si16 -","2","1","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.75","synchrotron","","0.2065","0.1402","","","0.3854","0.4087","","","","","","1.988","","","","has coordinates,has disorder","263654","2021-04-05","14:03:58",""
"7127944","17.968","0.004","18.783","0.004","20.866","0.004","104.55","0.03","108.76","0.03","106.52","0.03","5920","3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C146 H206 B8 F32 N16 O5 Pd4 S5 Si8 -","- C146 H206 B8 F32 N16 O5 Pd4 S5 Si8 -","- C146 H206 B8 F32 N16 O5 Pd4 S5 Si8 -","1","0.5","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.7","synchrotron","","0.1279","0.0906","","","0.2776","0.2966","","","","","","1.075","","","","has coordinates,has disorder","263654","2021-04-05","14:03:58",""
"7127945","33.458","0.007","17.79","0.004","35.572","0.007","90","","98.68","0.03","90","","20931","8","169","2","169","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C136 H176 Cl8 N16 O32 Pd4 Si8 -","- C136 H176 Cl6 N16 O24 Pd4 Si8 -","- C544 H704 Cl24 N64 O96 Pd16 Si32 -","4","1","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.8","synchrotron","","0.2251","0.0988","","","0.2539","0.2898","","","","","","1.159","","","","has coordinates,has disorder","263654","2021-04-05","14:03:58",""
"7127946","18.335","0.004","19.458","0.004","20.98","0.004","105.1","0.03","108.18","0.03","107.22","0.03","6258","4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C140 H188 Cl8 N16 O34 Pd4 S2 Si8 -","- C140 H188 Cl8 N16 O34 Pd4 S2 Si8 -","- C140 H188 Cl8 N16 O34 Pd4 S2 Si8 -","1","0.5","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.7","synchrotron","","0.1183","0.103","","","0.3269","0.3446","","","","","","1.395","","","","has coordinates","263654","2021-04-05","14:03:58",""
"7127947","18.26","0.004","18.337","0.004","33.391","0.007","90","","90.79","0.03","90","","11179","4","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C144 H200 F36 N18 O10 P6 Pd4 S4 Si8 -","- C144 H200 F36 N18 O10 P6 Pd4 S4 Si8 -","- C288 H400 F72 N36 O20 P12 Pd8 S8 Si16 -","2","0.5","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.7","synchrotron","","0.1741","0.0767","","","0.2048","0.2355","","","","","","0.934","","","","has coordinates","263654","2021-04-05","14:03:58",""
"7127948","18.072","0.004","18.561","0.004","18.661","0.004","117.75","0.03","116.05","0.03","91.67","0.03","4757","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C142 H176 F18 N18 O24 Pd4 S6 Si8 -","- C142 H176 F18 N18 O24 Pd4 S6 Si8 -","- C142 H176 F18 N18 O24 Pd4 S6 Si8 -","1","0.5","","Park, Seonghyeon; Kim, Dongwon; Kim, Doheon; Kim, Dongwook; Jung, Ok-Sang","A cyclic manipulation of cage isomers <i>via</i> anion exchange and thermal isomerism.","Chemical communications (Cambridge, England)","2021","57","23","2919","2922","10.1039/d0cc08303h","","","0.65","synchrotron","","0.075","0.0674","","","0.1953","0.1998","","","","","","1.14","","","","has coordinates","263654","2021-04-05","14:03:58",""
"7127949","13.461","0.002","27.545","0.004","42.227","0.006","90","","90","","90","","15657","4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C171 H233 N O8 S -","- C143 H165 N O4 S -","- C572 H660 N4 O16 S4 -","4","1","","Sano, Tsukasa; Masuda, Ryosuke; Sase, Shohei; Goto, Kei","Isolable small-molecule cysteine sulfenic acid.","Chemical communications (Cambridge, England)","2021","57","20","2479","2482","10.1039/d0cc08422k","","","0.71075","MoKα","","0.1403","0.0765","","","0.145","0.1705","","","","","","0.995","","","","has coordinates,has disorder","263650","2021-04-05","14:02:18",""
"7127950","10.8315","0.0007","7.1085","0.0004","27.6783","0.0018","90","","90.302","0.004","90","","2131.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 O2 -","- C29 H19 N3 O2 -","- C116 H76 N12 O8 -","4","1","","Monteiro, Jorge H. S. K.; Hiti, Ethan A.; Hardy, Emily E.; Wilkinson, Grant R.; Gorden, John D.; Gorden, Anne E. V.; de Bettencourt-Dias, Ana","New up-conversion luminescence in molecular cyano-substituted naphthylsalophen lanthanide(iii) complexes.","Chemical communications (Cambridge, England)","2021","57","20","2551","2554","10.1039/d0cc08128k","","","1.54178","CuKα","","0.0949","0.0609","","","0.157","0.178","","","","","","1.051","","","","has coordinates","263645","2021-04-05","14:01:39",""
"7127951","10.3689","0.0008","18.7929","0.0018","18.9759","0.0017","107.514","0.006","95.038","0.005","104.652","0.005","3357.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H55 Er2 N9 O8 -","- C87 H53 Er2 N9 O7 -","- C174 H106 Er4 N18 O14 -","2","1","","Monteiro, Jorge H. S. K.; Hiti, Ethan A.; Hardy, Emily E.; Wilkinson, Grant R.; Gorden, John D.; Gorden, Anne E. V.; de Bettencourt-Dias, Ana","New up-conversion luminescence in molecular cyano-substituted naphthylsalophen lanthanide(iii) complexes.","Chemical communications (Cambridge, England)","2021","57","20","2551","2554","10.1039/d0cc08128k","","","1.54178","CuKα","","0.0743","0.0521","","","0.1357","0.1499","","","","","","1.051","","","","has coordinates","263645","2021-04-05","14:01:39",""
"7127952","22.1286","0.0007","5.7699","0.0002","15.7586","0.0005","90","","106.416","0.003","90","","1930.03","0.11","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 F N O3 S2 -","- C21 H20 F N O3 S2 -","- C84 H80 F4 N4 O12 S8 -","4","1","","Taniguchi, Ryo; Noto, Naoki; Tanaka, Seiya; Takahashi, Keigo; Sarkar, Sujan K.; Oyama, Ryoko; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Simple generation of various α-monofluoroalkyl radicals by organic photoredox catalysis: modular synthesis of β-monofluoroketones.","Chemical communications (Cambridge, England)","2021","57","21","2609","2612","10.1039/d0cc08060h","","x-ray","1.54184","CuKα","","0.0363","0.0347","","","0.0953","0.0966","","","","","","1.066","","","","has coordinates","263659","2021-04-05","14:04:55",""
"7127953","26.0397","0.0016","5.8337","0.0003","7.1864","0.0005","90","","95.629","0.006","90","","1086.41","0.12","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F O3 -","- C12 H13 F O3 -","- C48 H52 F4 O12 -","4","1","","Taniguchi, Ryo; Noto, Naoki; Tanaka, Seiya; Takahashi, Keigo; Sarkar, Sujan K.; Oyama, Ryoko; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Simple generation of various α-monofluoroalkyl radicals by organic photoredox catalysis: modular synthesis of β-monofluoroketones.","Chemical communications (Cambridge, England)","2021","57","21","2609","2612","10.1039/d0cc08060h","","x-ray","1.54184","CuKα","","0.0971","0.0885","","","0.2101","0.2156","","","","","","1.158","","","","has coordinates","263659","2021-04-05","14:04:55",""
"7127954","17.06","0.002","10.1206","0.0008","19.139","0.002","90","","98.606","0.011","90","","3267.3","0.6","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N2 -","- C42 H42 N2 -","- C168 H168 N8 -","4","1","","Taniguchi, Ryo; Noto, Naoki; Tanaka, Seiya; Takahashi, Keigo; Sarkar, Sujan K.; Oyama, Ryoko; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Simple generation of various α-monofluoroalkyl radicals by organic photoredox catalysis: modular synthesis of β-monofluoroketones.","Chemical communications (Cambridge, England)","2021","57","21","2609","2612","10.1039/d0cc08060h","","x-ray","1.54184","CuKα","","0.1681","0.0958","","","0.2462","0.2998","","","","","","1.024","","","","has coordinates","263659","2021-04-05","14:04:55",""
"7127955","15.5254","0.0002","5.7261","0.0001","34.5954","0.0005","90","","90","","90","","3075.53","0.08","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H32 F2 N2 O6 S4 -","- C30 H32 F2 N2 O6 S4 -","- C120 H128 F8 N8 O24 S16 -","4","1","","Taniguchi, Ryo; Noto, Naoki; Tanaka, Seiya; Takahashi, Keigo; Sarkar, Sujan K.; Oyama, Ryoko; Abe, Manabu; Koike, Takashi; Akita, Munetaka","Simple generation of various α-monofluoroalkyl radicals by organic photoredox catalysis: modular synthesis of β-monofluoroketones.","Chemical communications (Cambridge, England)","2021","57","21","2609","2612","10.1039/d0cc08060h","","x-ray","1.54184","CuKα","","0.0307","0.0303","","","0.0842","0.0845","","","","","","1.082","","","","has coordinates","263659","2021-04-05","14:04:55",""
"7127956","11.329","0.005","12.521","0.006","32.774","0.015","90","","91.641","0.005","90","","4647","4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N0 Ni3 S6 -","- C48 H54 Ni3 S6 -","- C192 H216 Ni12 S24 -","4","1","","Maman, Manju P.; Nath, Akashdeep; Anjusree S, ?; Das, Bikas C.; Mandal, Sukhendu","Reversible polymorphic structural transition of crown-like nickel nanoclusters and its effect on conductivity.","Chemical communications (Cambridge, England)","2021","57","23","2935","2938","10.1039/d1cc00402f","","","0.71073","MoKα","","0.1924","0.1093","","","0.2651","0.3115","","","","","","1.167","","","","has coordinates","263656","2021-04-05","14:04:21",""
"7127957","17.295","0.016","10.63","0.01","25.8","0.02","90","","99.43","0.03","90","","4679","7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 N0 Ni3 S6 -","- C48 H54 Ni3 S6 -","- C192 H216 Ni12 S24 -","4","1","","Maman, Manju P.; Nath, Akashdeep; Anjusree S, ?; Das, Bikas C.; Mandal, Sukhendu","Reversible polymorphic structural transition of crown-like nickel nanoclusters and its effect on conductivity.","Chemical communications (Cambridge, England)","2021","57","23","2935","2938","10.1039/d1cc00402f","","","0.71073","MoKα","","0.1683","0.0691","","","0.1483","0.2055","","","","","","0.948","","","","has coordinates","263656","2021-04-05","14:04:21",""
"7127958","18.542","0.0009","14.0911","0.0007","8.2672","0.0004","90","","90","","90","","2160.03","0.18","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C12 H22 F6 Fe N2 O6 S4 -","- C12 H22 F6 Fe N2 O6 S4 -","- C48 H88 F24 Fe4 N8 O24 S16 -","4","1","","Deutscher, Jennifer; Gerschel, Philipp; Warm, Katrin; Kuhlmann, Uwe; Mebs, Stefan; Haumann, Michael; Dau, Holger; Hildebrandt, Peter; Apfel, Ulf-Peter; Ray, Kallol","A bioinspired oxoiron(IV) motif supported on a N<sub>2</sub>S<sub>2</sub> macrocyclic ligand.","Chemical communications (Cambridge, England)","2021","57","23","2947","2950","10.1039/d1cc00250c","","","0.71073","MoKα","","0.0506","0.0341","","","0.0591","0.0641","","","","","","1.047","","","","has coordinates","263657","2021-04-05","14:04:29",""
"7127959","8.5286","0.0007","8.8855","0.0007","9.7499","0.0008","96.876","0.004","90.559","0.003","113.841","0.003","669.57","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 F6 Fe N4 O6 S4 -","- C16 H28 F6 Fe N4 O6 S4 -","- C16 H28 F6 Fe N4 O6 S4 -","1","0.5","","Deutscher, Jennifer; Gerschel, Philipp; Warm, Katrin; Kuhlmann, Uwe; Mebs, Stefan; Haumann, Michael; Dau, Holger; Hildebrandt, Peter; Apfel, Ulf-Peter; Ray, Kallol","A bioinspired oxoiron(IV) motif supported on a N<sub>2</sub>S<sub>2</sub> macrocyclic ligand.","Chemical communications (Cambridge, England)","2021","57","23","2947","2950","10.1039/d1cc00250c","","","0.71073","MoKα","","0.0346","0.0289","","","0.0615","0.0641","","","","","","1.083","","","","has coordinates","263657","2021-04-05","14:04:30",""
"7127960","25.0072","0.0012","25.0072","0.0012","55.114","0.002","90","","90","","120","","29849","2","298.3","1","298.3","1","","","","","","","","6","R -3 :H","-R 3","148","","","","- C309 H276 Cl32 Mn40 N150 O33 -","- C309 H276 Cl32 Mn40 N150 O33 -","- C927 H828 Cl96 Mn120 N450 O99 -","3","0.166667","","Wu, Tai-Xue; Tao, Ye; He, Qiu-Ju; Li, Hai-Ye; Bian, He-Dong; Huang, Fu-Ping","Constructing an unprecedented {Mn<sup>II</sup><sub>38</sub>} matryoshka doll with a [Mn<sub>18</sub>(CO<sub>3</sub>)<sub>9</sub>] inorganic core and magnetocaloric effect.","Chemical communications (Cambridge, England)","2021","57","22","2732","2735","10.1039/d0cc07884k","","x-ray","1.54184","CuKα","","0.1854","0.1009","","","0.2738","0.3433","","","","","","1.027","","","","has coordinates,has disorder","263620","2021-04-05","13:53:23",""
"7127961","14.7652","0.0008","15.0291","0.0008","16.2398","0.0007","71.439","0.005","73.953","0.004","71.422","0.005","3176.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H92 Cu4 N12 O20 -","- C104 H92 Cu4 N12 O20 -","- C104 H92 Cu4 N12 O20 -","1","0.5","","Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.","Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.","Chemical communications (Cambridge, England)","2021","57","23","2915","2918","10.1039/d0cc08076d","","","0.71073","MoKα","","0.0756","0.0442","","","0.0935","0.1039","","","","","","0.977","","","","has coordinates","263653","2021-04-05","14:03:06",""
"7127962","10.959","0.002","14.077","0.003","19.406","0.004","106.27","0.03","91.83","0.03","101.78","0.03","2800.7","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H84 Cu4 N12 O20 -","- C100 H84 Cu4 N12 O20 -","- C100 H84 Cu4 N12 O20 -","1","0.5","","Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.","Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.","Chemical communications (Cambridge, England)","2021","57","23","2915","2918","10.1039/d0cc08076d","","","0.71073","Synchrotron","","0.0375","0.034","","","0.0954","0.0979","","","","","","1.039","","","","has coordinates,has disorder","263653","2021-04-05","14:03:07",""
"7127963","13.937","0.003","14.389","0.003","15.592","0.003","111.23","0.03","102.1","0.03","91.91","0.03","2829.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H62 Cu4 N8 O20 -","- C90 H62 Cu4 N8 O20 -","- C90 H62 Cu4 N8 O20 -","1","0.5","","Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.","Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.","Chemical communications (Cambridge, England)","2021","57","23","2915","2918","10.1039/d0cc08076d","","","0.71073","Synchrotron","","0.0692","0.0603","","","0.1832","0.1916","","","","","","1.054","","","","has coordinates","263653","2021-04-05","14:03:07",""
"7127964","14.027","0.003","14.475","0.003","15.468","0.003","111.87","0.03","101.96","0.03","92.36","0.03","2827","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H92 Cu4 N12 O20 -","- C104 H92 Cu4 N12 O20 -","- C104 H92 Cu4 N12 O20 -","1","0.5","","Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.","Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.","Chemical communications (Cambridge, England)","2021","57","23","2915","2918","10.1039/d0cc08076d","","","0.71073","Synchrotron","","0.0493","0.0436","","","0.1304","0.1358","","","","","","1.027","","","","has coordinates,has disorder","263653","2021-04-05","14:03:07",""
"7127965","10.994","0.002","16.101","0.003","21.413","0.004","96.75","0.03","99.9","0.03","92","0.03","3702.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H63 Cu2 N11 O8 -","- C79 H63 Cu2 N11 O8 -","- C158 H126 Cu4 N22 O16 -","2","1","","Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.","Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.","Chemical communications (Cambridge, England)","2021","57","23","2915","2918","10.1039/d0cc08076d","","","0.71073","Synchrotron","","0.0485","0.044","","","0.125","0.1296","","","","","","1.039","","","","has coordinates","263653","2021-04-05","14:03:07",""
"7127966","14.682","0.003","15.055","0.003","16.11","0.003","70.99","0.03","74.36","0.03","71.24","0.03","3133.3","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H84 Cu4 N12 O18 -","- C106 H84 Cu4 N12 O18 -","- C106 H84 Cu4 N12 O18 -","1","0.5","","Markwell-Heys, Adrian W; Schneider, Matthew L.; Madridejos, Jenica Marie L.; Metha, Gregory F.; Bloch, Witold M.","Self-sorting of porous Cu<sub>4</sub>L<sub>2</sub>L'<sub>2</sub> metal-organic cages composed of isomerisable ligands.","Chemical communications (Cambridge, England)","2021","57","23","2915","2918","10.1039/d0cc08076d","","","0.71073","Synchrotron","","0.0599","0.0518","","","0.1527","0.1614","","","","","","1.025","","","","has coordinates","263653","2021-04-05","14:03:07",""
"7127967","11.9844","0.0004","13.1181","0.0004","17.6206","0.0006","98.615","0.002","98.07","0.002","104.748","0.002","2602.12","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","{(MeSiP2)Co}2(N2)","","- C50 H78 Co2 N2 P4 Si2 -","- C50 H78 Co2 N2 P4 Si2 -","- C100 H156 Co4 N4 P8 Si4 -","2","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0614","0.0369","","","0.0872","0.0964","","","","","","1.015","","","","has coordinates","263630","2021-04-05","13:56:27",""
"7127968","10.618","0.002","19.666","0.004","18.29","0.003","90","","106.87","","90","","3654.8","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(MeSiP2)Co(CNtBu)2","","- C35 H57 Co N2 P2 Si -","- C35 H57 Co N2 P2 Si -","- C140 H228 Co4 N8 P8 Si4 -","4","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0562","0.0406","","","0.1018","0.1084","","","","","","1.004","","","","has coordinates,has disorder","263630","2021-04-05","13:56:34",""
"7127969","20.4843","0.0014","11.8547","0.0009","14.178","0.001","90","","90","","90","","3442.9","0.4","120","2","120","2","","","","","","","","7","P n a 21","P 2c -2n","33","","(MeSiNAdP2)Co(CO)","","- C36 H54 Co N O P2 Si -","- C36 H54 Co N O P2 Si -","- C144 H216 Co4 N4 O4 P8 Si4 -","4","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0658","0.053","","","0.132","0.1397","","","","","","1.024","","","","has coordinates","263630","2021-04-05","13:56:45",""
"7127970","36.6282","0.0018","10.3484","0.0005","16.3466","0.0008","90","","90","","90","","6196.1","0.5","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(MeSiP2)Co(CO)(PMe3)","","- C29 H48 Co O P3 Si -","- C29 H48 Co O P3 Si -","- C232 H384 Co8 O8 P24 Si8 -","8","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0993","0.0565","","","0.1487","0.1849","","","","","","0.802","","","","has coordinates","263630","2021-04-05","13:56:45",""
"7127971","10.971","0.002","12.496","0.002","14.51","0.003","81.037","0.009","86.84","0.009","85.14","0.009","1956.1","0.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H124 Co2 N4 P4 Si2 -","- C84 H124 Co2 N4 P4 Si2 -","- C84 H124 Co2 N4 P4 Si2 -","1","0.5","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0531","0.04","","","0.117","0.1335","","","","","","0.745","","","","has coordinates","263630","2021-04-05","13:56:45",""
"7127972","11.2544","0.0006","15.4033","0.0008","15.7698","0.0008","90","","94.781","0.001","90","","2724.3","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(MeSiP2)Co(CO)2","","- C27 H39 Co O2 P2 Si -","- C27 H39 Co O2 P2 Si -","- C108 H156 Co4 O8 P8 Si4 -","4","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.059","0.0339","","","0.0856","0.0992","","","","","","1.06","","","","has coordinates","263630","2021-04-05","13:56:45",""
"7127973","36.682","0.007","10.328","0.002","16.385","0.003","90","","90","","90","","6207","2","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","(MeSiP2)Co(N2)(PMe3)","","- C28 H48 Co N2 P3 Si -","- C28 H48 Co N2 P3 Si -","- C224 H384 Co8 N16 P24 Si8 -","8","1","","So, Jongho; Kim, Seji; Cho, Kyung-Bin; Lee, Yunho","Metal-ligand cooperative transformation of alkyl azide to isocyanate occurring at a Co-Si moiety.","Chemical communications (Cambridge, England)","2021","57","26","3219","3222","10.1039/d0cc08012h","","","0.71073","MoKα","","0.0405","0.0356","","","0.0802","0.0831","","","","","","1.128","","","","has coordinates,has disorder","263630","2021-04-05","13:56:45",""
"7127974","11.6578","0.0003","12.4438","0.0003","13.0555","0.0004","63.465","0.003","72.555","0.002","65.144","0.003","1522.76","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","XHY-1","XHY-1","","- C36 H40 N2 O2 -","- C36 H40 N2 O2 -","- C72 H80 N4 O4 -","2","1","","Xu, Houyang; Lin, Meng-Di; Yuan, Jun; Zhou, Baiyang; Mu, Yingxiao; Huo, Yanping; Zhu, Kelong","Fluorescence emission enhancement of a T-shaped benzimidazole with a mechanically-interlocked 'suit'.","Chemical communications (Cambridge, England)","2021","57","26","3239","3242","10.1039/d0cc07471c","","x-ray","1.54184","CuKα","","0.0459","0.041","","","0.1133","0.118","","","","","","1.056","","","","has coordinates","263632","2021-04-05","13:57:31",""
"7127975","15.4345","0.0008","27.2605","0.0016","18.41","0.0011","90","","115.234","0.002","90","","7006.9","0.7","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","suitane","suitane","","- C30 H20 B F4 N2 O12 -","- C274.552 H289.884 B4 F16 N8 O44 -","- C274.552 H289.884 B4 F16 N8 O44 -","1","0.25","","Xu, Houyang; Lin, Meng-Di; Yuan, Jun; Zhou, Baiyang; Mu, Yingxiao; Huo, Yanping; Zhu, Kelong","Fluorescence emission enhancement of a T-shaped benzimidazole with a mechanically-interlocked 'suit'.","Chemical communications (Cambridge, England)","2021","57","26","3239","3242","10.1039/d0cc07471c","","","1.34138","GaKα","","0.1087","0.0891","","","0.2639","0.2832","","","","","","1.027","","","","has coordinates,has disorder","263632","2021-04-05","13:57:33",""
"7127976","22.092","0.003","20.054","0.003","42.684","0.006","90","","97.443","0.005","90","","18751","5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H83 F24 N9 P4 -","- C94 H77 F24 N7 P4 -","- C752 H616 F192 N56 P32 -","8","2","","Zhang, Haiyang; Cheng, Lin; Nian, Hao; Du, Jiang; Chen, Tao; Cao, Liping","Adaptive chirality of achiral tetraphenylethene-based tetracationic cyclophanes with dual responses of fluorescence and circular dichroism in water.","Chemical communications (Cambridge, England)","2021","57","25","3135","3138","10.1039/d1cc00303h","","","1.34139","GaKα","","0.0948","0.0832","","","0.2445","0.2641","","","","","","1.026","","","","has coordinates,has disorder","263641","2021-04-05","14:00:40",""
"7127977","9.6728","0.0006","6.3539","0.0003","11.8458","0.0006","90","","101.244","0.006","90","","714.07","0.07","295","","295","","","","","","","","","5","P 1 c 1","P -2yc","7","","5-methyl-2-phenyl-4-(phenylthio)-1,2-dihydro-3H-pyrazol-3-one","","- C16 H14 N2 O S -","- C16 H14 N2 O S -","- C32 H28 N4 O2 S2 -","2","1","","Yuan, Yong; Li, Liang-Sen; Zhang, Lin; Wang, Feng; Jiang, Lin; Zuo, Lin; Wang, Qi; Hu, Jian-Guo; Lei, Aiwen","Electrochemical synthesis of versatile ammonium oxides under metal catalyst-, exogenous-oxidant-, and exogenous-electrolyte-free conditions.","Chemical communications (Cambridge, England)","2021","57","22","2768","2771","10.1039/d1cc00486g","","x-ray","0.71073","MoKα","","0.0338","0.0322","","","0.0744","0.0761","","","","","","1.066","","","","has coordinates","263623","2021-04-05","13:53:54",""
"7127978","17.55","0.004","17.234","0.003","24.922","0.005","90","","106.01","0.03","90","","7245","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H53 Gd N4 Na O20.5 -","- C23 H44 Gd N4 Na O20.5 -","- C184 H352 Gd8 N32 Na8 O164 -","8","2","","Baroni, Simona; Carnovale, Irene Maria; Carrera, Carla; Boccalon, Mariangela; Guidolin, Nicol; Demitri, Nicola; Lattuada, Luciano; Tedoldi, Fabio; Baranyai, Zsolt; Aime, Silvio","H-Bonding and intramolecular catalysis of proton exchange affect the CEST properties of Eu<sup>III</sup> complexes with HP-DO3A-like ligands.","Chemical communications (Cambridge, England)","2021","57","26","3287","3290","10.1039/d1cc00366f","","","0.7","Synchrotron","","0.0283","0.0275","","","0.0754","0.0756","","","","","","1.042","","","","has coordinates,has disorder","263633","2021-04-05","13:57:52",""
"7127979","18.237","0.004","17.179","0.003","23.059","0.005","90","","107.97","0.03","90","","6872","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H48 Gd N5 O15 -","- C22 H34 Gd N5 O12.125 -","- C176 H272 Gd8 N40 O97 -","8","2","","Baroni, Simona; Carnovale, Irene Maria; Carrera, Carla; Boccalon, Mariangela; Guidolin, Nicol; Demitri, Nicola; Lattuada, Luciano; Tedoldi, Fabio; Baranyai, Zsolt; Aime, Silvio","H-Bonding and intramolecular catalysis of proton exchange affect the CEST properties of Eu<sup>III</sup> complexes with HP-DO3A-like ligands.","Chemical communications (Cambridge, England)","2021","57","26","3287","3290","10.1039/d1cc00366f","","","0.62","Synchrotron","","0.0918","0.0626","","","0.1849","0.2079","","","","","","1.039","","","","has coordinates,has disorder","263633","2021-04-05","13:57:57",""
"7127980","5.3407","0.0011","12.745","0.003","18.872","0.004","90","","92.51","0.03","90","","1283.3","0.5","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Cui, Yanhui; Li, Fen; Zhang, Xin","Controlling fluorescence resonance energy transfer of donor-acceptor dyes by Diels-Alder dynamic covalent bonds.","Chemical communications (Cambridge, England)","2021","57","26","3275","3278","10.1039/d1cc00165e","","","0.71073","MoKα","","0.0915","0.0709","","","0.1819","0.1968","","","","","","1.04","","","","has coordinates","263631","2021-04-05","13:56:55",""
"7127981","11.246","0.016","11.153","0.016","20.85","0.03","90","","92.47","0.02","90","","2613","6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H36 B N O2 -","- C29 H36 B N O2 -","- C116 H144 B4 N4 O8 -","4","1","","Qiu, Xianfan; Xu, Liugen; Wang, Shuxia; Dai, Ying; Feng, Yunqiu; Gong, Chang; Tao, Chuanzhou","Copper-catalyzed borylative aminomethylation of C-C double and triple bonds with N,O-acetal.","Chemical communications (Cambridge, England)","2021","57","26","3279","3282","10.1039/d1cc00093d","","","0.71073","MoKα","","0.0858","0.055","","","0.1738","0.1986","","","","","","1.067","","","","has coordinates","263629","2021-04-05","13:55:49",""
"7127982","17.7569","0.0006","23.7286","0.0009","17.7374","0.0007","90","","101.795","0.002","90","","7315.8","0.5","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H102 P2 Pd -","- C72 H102 P2 Pd -","- C288 H408 P8 Pd4 -","4","0.5","","Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen","Zero-valent ML<sub>2</sub> complexes of group 10 metals supported by terphenyl phosphanes.","Chemical communications (Cambridge, England)","2021","57","25","3083","3086","10.1039/d1cc00676b","","","0.71073","MoKα","","0.057","0.0482","","","0.1432","0.1515","","","","","","0.858","","","","has coordinates,has disorder","263640","2021-04-05","14:00:26",""
"7127983","10.7226","0.0008","11.7463","0.0009","13.7443","0.0011","73.245","0.004","75.828","0.004","69.982","0.003","1536.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 Ni P2 -","- C40 H38 Ni P2 -","- C80 H76 Ni2 P4 -","2","1","","Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen","Zero-valent ML<sub>2</sub> complexes of group 10 metals supported by terphenyl phosphanes.","Chemical communications (Cambridge, England)","2021","57","25","3083","3086","10.1039/d1cc00676b","","","0.56086","AgKα","","0.069","0.0432","","","0.1211","0.1435","","","","","","0.883","","","","has coordinates","263640","2021-04-05","14:00:26",""
"7127984","23.3099","0.001","16.9037","0.0007","18.5008","0.0008","90","","90","","90","","7289.8","0.5","193","2","193","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C72 H102 Ni P2 -","- C72 H102 Ni P2 -","- C288 H408 Ni4 P8 -","4","0.5","","Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen","Zero-valent ML<sub>2</sub> complexes of group 10 metals supported by terphenyl phosphanes.","Chemical communications (Cambridge, England)","2021","57","25","3083","3086","10.1039/d1cc00676b","","","0.71073","MoKα","","0.0623","0.0518","","","0.1326","0.1384","","","","","","1.052","","","","has coordinates,has disorder","263640","2021-04-05","14:00:26",""
"7127985","9.8419","0.0006","12.7335","0.0007","19.002","0.0012","104.668","0.002","99.269","0.002","92.692","0.002","2264.1","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H77 Ni P -","- C49 H77 Ni P -","- C98 H154 Ni2 P2 -","2","1","","Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen","Zero-valent ML<sub>2</sub> complexes of group 10 metals supported by terphenyl phosphanes.","Chemical communications (Cambridge, England)","2021","57","25","3083","3086","10.1039/d1cc00676b","","","0.71073","MoKα","","0.06","0.0511","","","0.1431","0.1499","","","","","","1.057","","","","has coordinates","263640","2021-04-05","14:00:26",""
"7127986","17.6217","0.0014","23.6025","0.0018","17.6699","0.0014","90","","101.514","0.003","90","","7201.3","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H114 P2 Pt -","- C77 H114 P2 Pt -","- C308 H456 P8 Pt4 -","4","0.5","","Martín, M Trinidad; Marín, Mario; Rama, Raquel J.; Álvarez, Eleuterio; Maya, Celia; Molina, Francisco; Nicasio, M. Carmen","Zero-valent ML<sub>2</sub> complexes of group 10 metals supported by terphenyl phosphanes.","Chemical communications (Cambridge, England)","2021","57","25","3083","3086","10.1039/d1cc00676b","","","0.71073","MoKα","","0.0453","0.0348","","","0.0836","0.0906","","","","","","1.043","","","","has coordinates,has disorder","263640","2021-04-05","14:00:26",""
"7127987","9.1461","0.0003","9.681","0.0003","11.8702","0.0003","90","","90","","90","","1051.03","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 P S -","- C10 H13 P S -","- C40 H52 P4 S4 -","4","1","","Xu, Ronghua; Gao, Zhenhua; Yu, Yiteng; Tang, Yehua; Tian, Duanshuai; Chen, Tian; Chen, Yibing; Xu, Guangqing; Shi, Enxue; Tang, Wenjun","A facile and practical preparation of P-chiral phosphine oxides.","Chemical communications (Cambridge, England)","2021","57","27","3335","3338","10.1039/d1cc00646k","","","0.71073","MoKα","","0.0247","0.0238","","","0.0656","0.0668","","","","","","1.054","","","","has coordinates","263625","2021-04-05","13:54:53",""
"7127988","32.8416","0.0015","32.8416","0.0015","9.779","0.0005","90","","90","","120","","9134.3","0.8","193","2","193","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C21 H17 Cl N2 O6 -","- C21 H17 Cl N2 O6 -","- C378 H306 Cl18 N36 O108 -","18","1","","Duan, Jindian; Mao, Yiyang; Xian, Anmei; Rong, Binsen; Xu, Gaochen; Li, Zhenjiang; Zhao, Lili; Zhu, Ning; Guo, Kai","Copper-catalyzed regioselective [3+2] annulation of malonate-tethered acyl oximes with isatins.","Chemical communications (Cambridge, England)","2021","57","27","3379","3382","10.1039/d0cc07995b","","","0.71073","MoKα","","0.0759","0.051","","","0.1348","0.1552","","","","","","1.017","","","","has coordinates","263628","2021-04-05","13:55:31",""
"7127989","16.395","0.003","17.287","0.004","17.363","0.004","90","","90","","90","","4921","1.8","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 O9 -","- C28 H26 O9 -","- C224 H208 O72 -","8","2","","Tan, Qingfa; Yu, Han; Luo, Yao; Chang, Fenzhen; Liu, Xiaohua; Zhou, Yuqiao; Feng, Xiaoming","Asymmetric catalytic [4+3] cycloaddition of ortho-quinone methides with oxiranes.","Chemical communications (Cambridge, England)","2021","57","24","3018","3021","10.1039/d1cc00262g","","","1.54178","CuKα","","0.0372","0.0338","","","0.0935","0.0976","","","","","","1.02","","","","has coordinates","263615","2021-04-05","13:52:05",""
"7127990","28.1257","0.0008","28.1257","0.0008","8.102","0.0003","90","","90","","120","","5550.5","0.3","144","2","144","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C28 H26 O9 -","- C28 H26 O9 -","- C252 H234 O81 -","9","1","","Tan, Qingfa; Yu, Han; Luo, Yao; Chang, Fenzhen; Liu, Xiaohua; Zhou, Yuqiao; Feng, Xiaoming","Asymmetric catalytic [4+3] cycloaddition of ortho-quinone methides with oxiranes.","Chemical communications (Cambridge, England)","2021","57","24","3018","3021","10.1039/d1cc00262g","","","1.54178","CuKα","","0.1051","0.0972","","","0.2163","0.231","","","","","","1.213","","","","has coordinates","263615","2021-04-05","13:52:06",""
"7127991","9.34","0.003","9.34","0.003","9.71","0.005","90","","90","","120","","733.6","0.5","293","2","293","2","","","","","","","","6","P 3 1 m","P 3 -2","157","","","","- Ba3 Bi6 F11 Li O21 Se7 -","- Ba3 Bi6 F11 Li O21 Se7 -","- Ba3 Bi6 F11 Li O21 Se7 -","1","0.166667","","Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning","Unexpected aliovalent cation substitution between two NLO materials LiBa<sub>3</sub>Bi<sub>6</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>11</sub> and Ba<sub>3</sub>Bi<sub>6.5</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>10.5</sub>O<sub>0.5</sub>.","Chemical communications (Cambridge, England)","2021","57","24","2982","2985","10.1039/d1cc00346a","","","0.71073","MoKα","","0.0269","0.0256","","","0.0477","0.0481","","","","","","0.879","","","","has coordinates","263617","2021-04-05","13:52:34",""
"7127992","9.479","0.003","9.479","0.003","9.566","0.004","90","","90","","120","","744.4","0.5","296","2","296","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- Ba3 Bi6.5 F10.5 O21.5 Se7 -","- Ba3 Bi6.5001 F10.5 O21.5 Se7 -","- Ba3 Bi6.5001 F10.5 O21.5 Se7 -","1","0.166667","","Shi, Shuangshuang; Lin, Chensheng; Zhao, Dan; Luo, Min; Cao, Liling; Peng, Guang; Ye, Ning","Unexpected aliovalent cation substitution between two NLO materials LiBa<sub>3</sub>Bi<sub>6</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>11</sub> and Ba<sub>3</sub>Bi<sub>6.5</sub>(SeO<sub>3</sub>)<sub>7</sub>F<sub>10.5</sub>O<sub>0.5</sub>.","Chemical communications (Cambridge, England)","2021","57","24","2982","2985","10.1039/d1cc00346a","","","0.71073","MoKα","","0.0326","0.0312","","","0.0646","0.065","","","","","","1.13","","","","has coordinates","263617","2021-04-05","13:52:34",""
"7127993","5.7216","0.0001","15.4964","0.0001","17.3718","0.0001","90","","90","","90","","1540.26","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (R,E)-5-phenyl-6-(pyridin-2-yl)hex-2-enoate","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Frankowski, Sebastian; Kowalska, Justyna; Albrecht, Anna","Pyridylacetic acids and related systems as alkylheteroarene surrogates in asymmetric decarboxylative Michael addition.","Chemical communications (Cambridge, England)","2021","57","27","3387","3390","10.1039/d0cc08182e","","x-ray","1.54184","CuKα","","0.0219","0.0217","","","0.054","0.0541","","","","","","1.067","","","","has coordinates","263626","2021-04-05","13:55:08",""
"7127994","10.8194","0.0004","12.5965","0.0006","15.1388","0.0006","106.563","0.004","98.875","0.003","113.707","0.004","1723.64","0.16","123","1","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H53 Fe N4 O2 P -","- C33 H53 Fe N4 O2 P -","- C66 H106 Fe2 N8 O4 P2 -","2","1","","Reichl, Stephan; Grünbauer, Rebecca; Balázs, Gábor; Scheer, Manfred","Reactivity of P<sub>4</sub> butterfly complexes towards NHCs - generation of a metal-bridged P<sub>2</sub> dumbbell complex.","Chemical communications (Cambridge, England)","2021","57","27","3383","3386","10.1039/d1cc00615k","","","1.54184","CuKα","","0.0363","0.0339","","","0.0871","0.0887","","","","","","1.03","","","","has coordinates","263627","2021-04-05","13:55:21",""
"7127995","13.7995","0.0002","22.0551","0.0003","16.5807","0.0002","90","","99.549","0.001","90","","4976.4","0.12","123.01","0.1","123.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H82 Fe2 N4 P4 -","- C48 H82 Fe2 N4 P4 -","- C192 H328 Fe8 N16 P16 -","4","1","","Reichl, Stephan; Grünbauer, Rebecca; Balázs, Gábor; Scheer, Manfred","Reactivity of P<sub>4</sub> butterfly complexes towards NHCs - generation of a metal-bridged P<sub>2</sub> dumbbell complex.","Chemical communications (Cambridge, England)","2021","57","27","3383","3386","10.1039/d1cc00615k","","","1.54184","CuKα","","0.052","0.0488","","","0.1203","0.1239","","","","","","1.063","","","","has coordinates,has disorder","263627","2021-04-05","13:55:22",""
"7127996","14.7956","0.0003","8.60807","0.00016","32.9425","0.0006","90","","97.7244","0.0016","90","","4157.54","0.14","123","0.16","123","0.16","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Cr2 N4 O5 P2 -","- C39 H54 Cr2 N4 O5 P2 -","- C156 H216 Cr8 N16 O20 P8 -","4","1","","Reichl, Stephan; Grünbauer, Rebecca; Balázs, Gábor; Scheer, Manfred","Reactivity of P<sub>4</sub> butterfly complexes towards NHCs - generation of a metal-bridged P<sub>2</sub> dumbbell complex.","Chemical communications (Cambridge, England)","2021","57","27","3383","3386","10.1039/d1cc00615k","","x-ray","1.54184","CuKα","","0.0548","0.0456","","","0.118","0.1261","","","","","","1.04","","","","has coordinates,has disorder","263627","2021-04-05","13:55:22",""
"7127997","9.171","0.0001","10.0901","0.0003","13.7727","0.0003","109.378","0.001","91.575","0.001","100.537","0.001","1176.65","0.05","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F6 N2 O3 Se -","- C23 H20 F6 N2 O3 Se -","- C46 H40 F12 N4 O6 Se2 -","2","1","","Gao, Yu-Ting; Liu, Shao-Dong; Cheng, Liang; Liu, Li","A fast and direct iodide-catalyzed oxidative 2-selenylation of tryptophan.","Chemical communications (Cambridge, England)","2021","57","28","3504","3507","10.1039/d1cc00700a","","x-ray","1.54178","CuKα","","0.0648","0.0642","","","0.1983","0.1986","","","","","","1.109","","","","has coordinates","264859","2021-05-05","08:01:14",""
"7127998","6.5013","0.0008","14.177","0.0015","3.671","0.0004","90","","90","","90","","338.35","0.07","298","2","298.15","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- Hf2 O4 S3 Y2 -","- Hf2 O4 S3 Y2 -","- Hf4 O8 S6 Y4 -","2","0.25","","Lu, Zhen-Tao; Yang, Si-Han; Liu, Wenlong; Guo, Sheng-Ping","A series of oxysulfides RE<sub>2</sub>M<sub>2</sub>S<sub>3</sub>O<sub>4</sub> (RE = Y, Tm; M = Zr, Hf) featuring a unique MS<sub>3</sub>O<sub>4</sub> motif and {[M<sub>2</sub>S<sub>3</sub>O<sub>4</sub>]<sup>8-</sup>}<sub>\ιnfty </sub> wrinkle layer.","Chemical communications (Cambridge, England)","2021","57","28","3500","3503","10.1039/d1cc00351h","","","0.71073","MoKα","","0.0281","0.0276","","","0.0737","0.0743","","","","","","1.046","","","","has coordinates","264861","2021-05-05","08:01:46",""
"7127999","6.4784","0.0007","14.1361","0.0016","3.6618","0.0005","90","","90","","90","","335.35","0.07","298","2","298.15","","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- O4 S3 Tm2 Zr2 -","- O4 S3 Tm2 Zr2 -","- O8 S6 Tm4 Zr4 -","2","0.25","","Lu, Zhen-Tao; Yang, Si-Han; Liu, Wenlong; Guo, Sheng-Ping","A series of oxysulfides RE<sub>2</sub>M<sub>2</sub>S<sub>3</sub>O<sub>4</sub> (RE = Y, Tm; M = Zr, Hf) featuring a unique MS<sub>3</sub>O<sub>4</sub> motif and {[M<sub>2</sub>S<sub>3</sub>O<sub>4</sub>]<sup>8-</sup>}<sub>\ιnfty </sub> wrinkle layer.","Chemical communications (Cambridge, England)","2021","57","28","3500","3503","10.1039/d1cc00351h","","","0.71073","MoKα","","0.0353","0.0306","","","0.0723","0.0742","","","","","","1.048","","","","has coordinates","264861","2021-05-05","08:01:46",""
"7128000","7.4051","0.00012","8.24493","0.00017","21.2074","0.0004","92.7868","0.0016","90.0429","0.0014","106.864","0.0016","1237.51","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N9 O5 Pt -","- C24 H19 N9 O5 Pt -","- C48 H38 N18 O10 Pt2 -","2","1","","Lu, Zhen-Tao; Yang, Si-Han; Liu, Wenlong; Guo, Sheng-Ping","A series of oxysulfides RE<sub>2</sub>M<sub>2</sub>S<sub>3</sub>O<sub>4</sub> (RE = Y, Tm; M = Zr, Hf) featuring a unique MS<sub>3</sub>O<sub>4</sub> motif and {[M<sub>2</sub>S<sub>3</sub>O<sub>4</sub>]<sup>8-</sup>}<sub>\ιnfty </sub> wrinkle layer.","Chemical communications (Cambridge, England)","2021","57","28","3500","3503","10.1039/d1cc00351h","","x-ray","0.71073","MoKα","","0.0265","0.0223","","","0.0424","0.0439","","","","","","1.035","","","","has coordinates,has disorder","264861","2021-05-05","08:01:46",""
"7128001","16.62251","0.00011","16.92326","0.00015","21.21101","0.00015","90","","90","","90","","5966.81","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H39 O4 S Sb -","- C33 H39 O4 S Sb -","- C264 H312 O32 S8 Sb8 -","8","1","","Wenger, John S.; Johnstone, Timothy C.","Unsupported monomeric stibine oxides (R<sub>3</sub>SbO) remain undiscovered.","Chemical communications (Cambridge, England)","2021","57","28","3484","3487","10.1039/d1cc00619c","","","0.71073","MoKα","","0.0268","0.0209","","","0.0563","0.059","","","","","","1.028","","","","has coordinates","264860","2021-05-05","08:01:33",""
"7128002","10.4609","0.0002","22.0134","0.0004","12.4071","0.0002","90","","95.215","0.001","90","","2845.28","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 F3 O4 S Sb -","- C28 H34 F3 O4 S Sb -","- C112 H136 F12 O16 S4 Sb4 -","4","1","","Wenger, John S.; Johnstone, Timothy C.","Unsupported monomeric stibine oxides (R<sub>3</sub>SbO) remain undiscovered.","Chemical communications (Cambridge, England)","2021","57","28","3484","3487","10.1039/d1cc00619c","","","0.71073","MoKα","","0.0377","0.0291","","","0.0709","0.0734","","","","","","1.068","","","","has coordinates,has disorder","264860","2021-05-05","08:01:34",""
"7128003","12.7443","0.0004","13.0965","0.0004","20.1296","0.0007","76.697","0.003","79.142","0.003","78.266","0.003","3165.73","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 B F24 O Sb -","- C64 H58 B F24 O Sb -","- C128 H116 B2 F48 O2 Sb2 -","2","1","","Wenger, John S.; Johnstone, Timothy C.","Unsupported monomeric stibine oxides (R<sub>3</sub>SbO) remain undiscovered.","Chemical communications (Cambridge, England)","2021","57","28","3484","3487","10.1039/d1cc00619c","","","0.71073","MoKα","","0.06","0.0517","","","0.1342","0.1399","","","","","","1.022","","","","has coordinates,has disorder","264860","2021-05-05","08:01:34",""
"7128004","9.9072","0.0006","8.9556","0.0005","15.9942","0.0011","90","","90","","90","","1419.08","0.15","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H20 N2 Na2 O10 -","- C10 H20 N2 Na2 O10 -","- C40 H80 N8 Na8 O40 -","4","0.5","","Zheng, Haoyue; Wang, Yanying; Cao, Peisheng; Wu, Peng","Color-tunable ultralong room temperature phosphorescence from EDTA.","Chemical communications (Cambridge, England)","2021","57","29","3575","3578","10.1039/d1cc00207d","","x-ray","0.71073","MoKα","","0.071","0.042","","","0.0925","0.1036","","","","","","1.032","","","","has coordinates","264858","2021-05-05","08:01:05",""
"7128005","31.0956","0.0013","15.1623","0.0006","33.462","0.0014","90","","97.441","0.001","90","","15643.8","1.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150.23 H126.23 Au9 Cl8.76 Ga3 P8 -","- C150.229 H126.229 Au9 Cl8.7542 Ga3 P8 -","- C600.916 H504.916 Au36 Cl35.0168 Ga12 P32 -","4","0.5","","Fetzer, Florian; Schrenk, Claudio; Pollard, Nia; Adeagbo, Adebola; Clayborne, Andre Z.; Schnepf, Andreas","A new reductant in gold cluster chemistry gives a superatomic gold gallium cluster.","Chemical communications (Cambridge, England)","2021","57","29","3551","3554","10.1039/d0cc07006h","","x-ray","0.71073","MoKα","","0.0672","0.0451","","","0.1009","0.1149","","","","","","1.092","","","","has coordinates,has disorder","264857","2021-05-05","08:00:56",""
"7128006","9.9663","0.0003","26.937","0.0009","30.2924","0.0009","90","","90","","90","","8132.4","0.4","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Ho(tppo)2(H2O)5Cl3 H2O","","- C24 H60 Cl3 Ho N6 O8 P2 -","- C24 H60 Cl3 Ho N6 O8 P2 -","- C192 H480 Cl24 Ho8 N48 O64 P16 -","8","1","","Jia, Kexin; Meng, Xixi; Wang, Mengmeng; Gou, Xiaoshuang; Wang, Yu-Xia; Xu, Na; Shi, Wei; Cheng, Peng","Enhancing the energy barrier and hysteresis temperature in two benchtop-stable Ho(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2021","57","29","3607","3610","10.1039/d1cc00582k","","x-ray","0.71073","MoKα","","0.0833","0.0546","","","0.1327","0.1461","","","","","","1.038","","","","has coordinates","264854","2021-05-05","07:59:33",""
"7128007","10.0871","0.0003","26.8701","0.0008","30.9089","0.0008","90","","90","","90","","8377.6","0.4","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H60 Br3 Ho N6 O8 P2 -","- C24 H60 Br3 Ho N6 O8 P2 -","- C192 H480 Br24 Ho8 N48 O64 P16 -","8","1","","Jia, Kexin; Meng, Xixi; Wang, Mengmeng; Gou, Xiaoshuang; Wang, Yu-Xia; Xu, Na; Shi, Wei; Cheng, Peng","Enhancing the energy barrier and hysteresis temperature in two benchtop-stable Ho(iii) single-ion magnets.","Chemical communications (Cambridge, England)","2021","57","29","3607","3610","10.1039/d1cc00582k","","","0.71073","MoKα","","0.0822","0.0416","","","0.0816","0.0929","","","","","","1.017","","","","has coordinates","264854","2021-05-05","07:59:36",""
"7128008","15.0576","0.0002","16.1907","0.0003","30.129","0.0003","76.0792","0.0011","77.6588","0.001","62.9932","0.0015","6305.52","0.18","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C81 H144.01 Bi6 K4 Mo3 N8 O33 -","- C80 H140.506 Bi6 K4 Mo3 N8 O32 -","- C160 H281.012 Bi12 K8 Mo6 N16 O64 -","2","1","","Qiao, Lei; Chen, Dandan; Zhu, Jun; Muñoz-Castro, Alvaro; Sun, Zhong-Ming","[Bi<sub>6</sub>Mo<sub>3</sub>(CO)<sub>9</sub>]<sup>4-</sup>: a multiple local σ-aromatic cluster containing a distorted Bi<sub>6</sub> triangular prism.","Chemical communications (Cambridge, England)","2021","57","30","3656","3659","10.1039/d1cc00734c","","x-ray","1.54184","CuKα","","0.0996","0.0927","","","0.2488","0.2556","","","","","","1.027","","","","has coordinates,has disorder","264871","2021-05-05","08:04:54",""
"7128009","20.4639","0.0001","14.4411","0.0001","27.5222","0.0002","90","","105.184","0.001","90","","7849.45","0.1","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H216 Bi6 K6 Mo4 N12 O48 -","- C120 H216 Bi6 K6 Mo4 N12 O48 -","- C240 H432 Bi12 K12 Mo8 N24 O96 -","2","0.5","","Qiao, Lei; Chen, Dandan; Zhu, Jun; Muñoz-Castro, Alvaro; Sun, Zhong-Ming","[Bi<sub>6</sub>Mo<sub>3</sub>(CO)<sub>9</sub>]<sup>4-</sup>: a multiple local σ-aromatic cluster containing a distorted Bi<sub>6</sub> triangular prism.","Chemical communications (Cambridge, England)","2021","57","30","3656","3659","10.1039/d1cc00734c","","x-ray","1.54184","CuKα","","0.0363","0.0321","","","0.0838","0.086","","","","","","1.056","","","","has coordinates","264871","2021-05-05","08:04:54",""
"7128010","10.5667","0.0004","10.7003","0.0005","13.9406","0.0006","69.301","0.001","88.131","0.001","67.251","0.001","1349.84","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 N O3 S -","- C34 H27 N O3 S -","- C68 H54 N2 O6 S2 -","2","1","","Zhang, Yanshun; Wei, Yin; Shi, Min","A silver-catalyzed domino inverse electron-demand oxo-Diels-Alder reaction of 3-cyclopropylideneprop-2-en-1-ones with 2,3-dioxopyrrolidines via cyclobutane-fused furan.","Chemical communications (Cambridge, England)","2021","57","29","3599","3602","10.1039/d1cc00707f","","","0.71073","MoKα","","0.0818","0.0657","","","0.1745","0.1919","","","","","","1.024","","","","has coordinates","264856","2021-05-05","08:00:42",""
"7128011","12.128","0.0002","12.406","0.0003","13.9115","0.0003","67.688","0.002","84.053","0.002","77.848","0.002","1892.37","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 N8 O2 S6 -","- C40 H28 N8 O2 S6 -","- C80 H56 N16 O4 S12 -","2","1","","Kim, Chungryeol; Lee, Dongwhan","Conducting polymers as anion-responsive chemical fuses.","Chemical communications (Cambridge, England)","2021","57","31","3773","3776","10.1039/d1cc00416f","","x-ray","1.54184","CuKα","","0.0905","0.0849","","","0.2359","0.2444","","","","","","1.059","","","","has coordinates,has disorder","264876","2021-05-05","08:06:58",""
"7128012","9.7352","0.0003","19.2736","0.0006","16.4544","0.0004","90","","94.395","0.001","90","","3078.3","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 F3 N5 Ni O3 S -","- C29 H36 F3 N5 Ni O3 S -","- C116 H144 F12 N20 Ni4 O12 S4 -","4","1","","McNeece, Andrew J.; Jesse, Kate A.; Filatov, Alexander S.; Schneider, Joseph E.; Anderson, John S.","Catalytic hydrogenation enabled by ligand-based storage of hydrogen.","Chemical communications (Cambridge, England)","2021","57","32","3869","3872","10.1039/d0cc08236h","","x-ray","0.41328","synchrotron","","0.0322","0.029","","","0.0832","0.0852","","","","","","1.061","","","","has coordinates","264864","2021-05-05","08:02:30",""
"7128013","10.3991","0.0005","11.3467","0.0005","15.9639","0.0008","90.377","0.002","106.279","0.002","115.57","0.001","1613.26","0.14","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H48 Cl N5 Ni -","- C33 H48 Cl N5 Ni -","- C66 H96 Cl2 N10 Ni2 -","2","1","","McNeece, Andrew J.; Jesse, Kate A.; Filatov, Alexander S.; Schneider, Joseph E.; Anderson, John S.","Catalytic hydrogenation enabled by ligand-based storage of hydrogen.","Chemical communications (Cambridge, England)","2021","57","32","3869","3872","10.1039/d0cc08236h","","","0.71073","MoKα","","0.0555","0.0445","","","0.1135","0.1197","","","","","","1.049","","","","has coordinates","264864","2021-05-05","08:02:31",""
"7128014","20.8883","0.0009","22.4103","0.0009","35.1853","0.0013","90","","90","","90","","16470.7","1.1","173","2","173","2","","","","","","","","8","I m m m","-I 2 2","71","","","","- C36 H282 Cl2 Co12 Eu36 N22 Na6 O264 -","- C36 H108 Cl2 Co12 Eu36 N15 O220 -","- C72 H216 Cl4 Co24 Eu72 N30 O440 -","2","0.125","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54178","CuKα","","0.0877","0.0743","","","0.2025","0.214","","","","","","1.008","","","","has coordinates,has disorder","264855","2021-05-05","08:00:11",""
"7128015","20.6147","0.0005","28.8773","0.0009","22.9058","0.001","90","","96.475","0.003","90","","13548.8","0.8","173","2","173","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C36 H286 Cl4 Co12 Gd36 N20 Na6 O260 -","- C36 H132 Cl6 Co12 Gd36 N O183 -","- C72 H264 Cl12 Co24 Gd72 N2 O366 -","2","0.25","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54184","CuKα","","0.1246","0.1067","","","0.298","0.3092","","","","","","1.084","","","","has coordinates","264855","2021-05-05","08:00:22",""
"7128016","20.8551","0.0003","22.5329","0.0004","35.0623","0.0005","90","","90","","90","","16476.7","0.4","173","2","173","2","","","","","","","","7","I m m m","-I 2 2","71","","","","- C36 H306 Cl11 Eu36 N7 Ni12 O231 -","- C36 H108 Cl5 Eu36 N7 Ni12 O201 -","- C72 H216 Cl10 Eu72 N14 Ni24 O402 -","2","0.125","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54184","CuKα","","0.1017","0.0939","","","0.2422","0.2491","","","","","","1.053","","","","has coordinates,has disorder","264855","2021-05-05","08:00:27",""
"7128017","28.9037","0.0005","28.6333","0.0004","20.55","0.0003","90","","128.598","0.002","90","","13292","0.5","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C36 H306 Cl11 Dy36 N7 Ni12 O231 -","- C36 H132 Cl6 Dy36 N9 Ni12 O234 -","- C72 H264 Cl12 Dy72 N18 Ni24 O468 -","2","0.25","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54178","CuKα","","0.0921","0.0842","","","0.235","0.2441","","","","","","1.039","","","","has coordinates","264855","2021-05-05","08:00:32",""
"7128018","20.7166","0.0004","28.7371","0.0006","22.7267","0.0005","90","","97.129","0.002","90","","13425.4","0.5","173","2","173","2","","","","","","","","8","I 1 2/m 1","-I 2y","12","","","","- C36 H286 Cl4 Co12 Dy36 N20 Na6 O260 -","- C38 H108 Cl2 Co12 Dy36 N13 O224 -","- C76 H216 Cl4 Co24 Dy72 N26 O448 -","2","0.25","","Chen, Rong; Chen, Chao-Long; Du, Ming-Hao; Wang, Xing; Wang, Cheng; Long, La-Sheng; Kong, Xiang-Jian; Zheng, Lan-Sun","Soluble lanthanide-transition-metal clusters Ln<sub>36</sub>Co<sub>12</sub> as effective molecular electrocatalysts for water oxidation.","Chemical communications (Cambridge, England)","2021","57","29","3611","3614","10.1039/d0cc08132a","","","1.54184","CuKα","","0.0784","0.0647","","","0.1831","0.191","","","","","","1.109","","","","has coordinates,has disorder","264855","2021-05-05","08:00:32",""
"7128019","5.5189","0.0004","6.9129","0.0004","11.8527","0.0008","90.598","0.001","92.151","0.001","109.895","0.001","424.78","0.05","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- Ag2 Bi2 I4 O20 S2 -","- Ag2 Bi2 I4 O20 S2 -","- Ag2 Bi2 I4 O20 S2 -","1","1","","Liu, Hongming; Wu, Qingchen; Liu, Lili; Lin, Zheshuai; Halasyamani, P. Shiv; Chen, Xingguo; Qin, Jingui","AgBi(SO<sub>4</sub>)(IO<sub>3</sub>)<sub>2</sub>: aliovalent substitution induces structure dimensional upgrade and second harmonic generation enhancement.","Chemical communications (Cambridge, England)","2021","57","30","3712","3715","10.1039/d0cc07862j","","","0.71073","MoKα","","0.0368","0.0368","","","0.0905","0.0905","","","","","","1.065","","","","has coordinates","264874","2021-05-05","08:06:36",""
"7128020","14.4966","0.0016","10.4123","0.0011","11.2334","0.001","90","","111.258","0.005","90","","1580.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Ramesh, Balu; Jeganmohan, Masilamani","Cobalt(iii)-catalyzed redox-neutral [4+2]-annulation of N-chlorobenzamides/acrylamides with alkylidenecyclopropanes at room temperature.","Chemical communications (Cambridge, England)","2021","57","30","3692","3695","10.1039/d1cc00654a","","","0.71073","MoKα","","0.1245","0.0576","","","0.0885","0.0947","","","","","","1.674","","","","has coordinates","264872","2021-05-05","08:05:03",""
"7128021","17.1395","0.0009","10.0131","0.0005","18.1242","0.0009","90","","105.326","0.002","90","","2999.9","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Ga N2 Sb -","- C29 H44 Ga N2 Sb -","- C116 H176 Ga4 N8 Sb4 -","4","1","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","x-ray","0.71073","MoKα","","0.03","0.0229","","","0.0516","0.054","","","","","","1.034","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128022","14.399","0.0007","14.4137","0.0007","14.9394","0.0007","85.495","0.002","85.477","0.002","64.209","0.002","2779.6","0.2","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C58 H85 Ga2 N4 Sb -","- C58 H85 Ga2 N4 Sb -","- C116 H170 Ga4 N8 Sb2 -","2","2","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","","0.71073","MoKα","","0.04","0.0316","","","0.0562","0.0588","","","","","","0.998","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128023","14.2902","0.0012","14.298","0.0012","14.8863","0.0012","85.241","0.002","85.225","0.002","64.92","0.002","2741.4","0.4","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C58 H85 As Ga2 N4 -","- C58 H85 As Ga2 N4 -","- C116 H170 As2 Ga4 N8 -","2","2","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","","0.71073","MoKα","","0.0276","0.0247","","","0.0591","0.0606","","","","","","1.019","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128024","18.1045","0.0011","9.6018","0.0006","33.3947","0.0019","90","","90.888","0.001","90","","5804.5","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Ga N2 P -","- C29 H44 Ga N2 P -","- C232 H352 Ga8 N16 P8 -","8","2","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","","0.71073","MoKα","","0.0526","0.0389","","","0.0945","0.1008","","","","","","1.049","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128025","18.1546","0.001","9.6556","0.0005","33.4172","0.0019","90","","91.133","0.002","90","","5856.7","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 As Ga N2 -","- C29 H43.788 As Ga N2 -","- C232 H350.304 As8 Ga8 N16 -","8","2","","Schneider, Selina; Ivlev, Sergei; von Hänisch, Carsten","Stibine as a reagent in molecular chemistry - targeted synthesis of primary and secondary stibanyl-gallanes and their lighter homologues.","Chemical communications (Cambridge, England)","2021","57","31","3781","3784","10.1039/d0cc08419k","","","0.71073","MoKα","","0.042","0.03","","","0.0617","0.0653","","","","","","1.043","","","","has coordinates,has disorder","264878","2021-05-05","08:07:36",""
"7128026","16.2332","0.0001","14.5933","0.0001","31.828","0.0003","90","","93.53","0.001","90","","7525.62","0.1","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Co2 N6 O8 -","- C28 H20 Co2 N6 O8 -","- C224 H160 Co16 N48 O64 -","8","1","","Ji, Zhenyu; Fan, Yerong; Wu, Mingyan; Hong, Maochun","A flexible microporous framework with temperature-dependent gate-opening behaviours for C2 gases.","Chemical communications (Cambridge, England)","2021","57","31","3785","3788","10.1039/d1cc00014d","","","1.3405","GaKα","","0.036","0.0294","","","0.0706","0.0734","","","","","","1.041","","","","has coordinates","264879","2021-05-05","08:07:49",""
"7128027","10.01","0.0004","18.7883","0.0005","16.0273","0.0005","90","","95.972","0.003","90","","2997.91","0.17","293","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Co2 N6 O8 -","- C28 H22 Co2 N6 O8 -","- C112 H88 Co8 N24 O32 -","4","1","","Ji, Zhenyu; Fan, Yerong; Wu, Mingyan; Hong, Maochun","A flexible microporous framework with temperature-dependent gate-opening behaviours for C2 gases.","Chemical communications (Cambridge, England)","2021","57","31","3785","3788","10.1039/d1cc00014d","","","1.3405","GaKα","","0.0673","0.0394","","","0.1031","0.1143","","","","","","1.031","","","","has coordinates","264879","2021-05-05","08:07:49",""
"7128028","14.9017","0.0002","5.4745","0.0001","16.0571","0.0002","90","","98.873","0.001","90","","1294.25","0.03","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- La2.31 N10.31 O1.69 Si5 Sr3.69 -","- La2.31 N10.31 O1.69 Si5 Sr3.69 -","- La9.24 N41.24 O6.76 Si20 Sr14.76 -","4","1","","Zheng, Hong-Wei; Wang, Xiao-Ming; Wei, Heng-Wei; Zheng, Yu; Yin, Cong-Ling; Yang, Zu-Pei; Jiao, Huan","Narrow-band red emitting oxonitridosilicate phosphor La<sub>4-x</sub>Sr<sub>2+x</sub>Si<sub>5</sub>N<sub>12-x</sub>O<sub>x</sub>:Pr<sup>3+</sup> (x≈ 1.69).","Chemical communications (Cambridge, England)","2021","57","31","3761","3764","10.1039/d1cc00893e","","x-ray","1.54184","CuKα","","0.044","0.0354","","","0.0913","0.0956","","","","","","1.072","","","","has coordinates,has disorder","264880","2021-05-05","08:07:58",""
"7128029","14.90289","0.00012","5.46328","0.00005","16.00855","0.00013","90","","98.9959","0.0005","90","","1287.36","0.019","297","","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ce2.44 N10.44 O1.56 Si5 Sr3.56 -","- Ce2.44 N10.44 O1.56 Si5 Sr3.56 -","- Ce9.76 N41.76 O6.24 Si20 Sr14.24 -","4","1","","Zheng, Hong-Wei; Wang, Xiao-Ming; Wei, Heng-Wei; Zheng, Yu; Yin, Cong-Ling; Yang, Zu-Pei; Jiao, Huan","Narrow-band red emitting oxonitridosilicate phosphor La<sub>4-x</sub>Sr<sub>2+x</sub>Si<sub>5</sub>N<sub>12-x</sub>O<sub>x</sub>:Pr<sup>3+</sup> (x≈ 1.69).","Chemical communications (Cambridge, England)","2021","57","31","3761","3764","10.1039/d1cc00893e","powder diffraction","","1.5418","CuKα","","0.0395","","","","","","","","2","","","","","","","has coordinates","264880","2021-05-05","08:07:58",""
"7128030","9.1087","0.0009","10.9966","0.0011","14.9346","0.0015","90","","93.732","0.005","90","","1492.7","0.3","298.15","","298.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4(5-fu).(bpe)","5-fluoro-1H,3H-pyrimidine-2,4-dione, 1,2-bis(4-pyridyl)ethylene","","- C28 H22 F4 N10 O8 -","- C28 H22 F4 N10 O8 -","- C56 H44 F8 N20 O16 -","2","0.5","","Ortiz-de León, Celymar; MacGillivray, Leonard R.","Clues from cocrystals: a ternary solid, polymorphism, and rare supramolecular isomerism involving resveratrol and 5-fluorouracil.","Chemical communications (Cambridge, England)","2021","57","31","3809","3811","10.1039/d0cc08388g","","","0.71073","MoKα","","0.0564","0.0388","","","0.1032","0.1128","","","","","","1.05","","","","has coordinates","264877","2021-05-05","08:07:07",""
"7128031","9.4819","0.0009","10.6517","0.0011","13.506","0.0014","76.407","0.005","85.696","0.005","88.382","0.005","1322.1","0.2","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","(resv).(bpe).(5-fu)","3,5,4'-trihydroxy-trans-stilbene, 1,2-bis(4-pyridyl)ethylene, 5-fluoro-1H,3H-pyrimidine-2,4-dione","","- C30 H25 F N4 O5 -","- C30 H25 F N4 O5 -","- C60 H50 F2 N8 O10 -","2","1","","Ortiz-de León, Celymar; MacGillivray, Leonard R.","Clues from cocrystals: a ternary solid, polymorphism, and rare supramolecular isomerism involving resveratrol and 5-fluorouracil.","Chemical communications (Cambridge, England)","2021","57","31","3809","3811","10.1039/d0cc08388g","","","0.71073","MoKα","","0.1605","0.0584","","","0.126","0.1677","","","","","","0.969","","","","has coordinates,has disorder","264877","2021-05-05","08:07:07",""
"7128032","8.1814","0.0003","11.4924","0.0004","21.1523","0.0008","90","","90","","90","","1988.82","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 I O2 S2 -","- C21 H19 I O2 S2 -","- C84 H76 I4 O8 S8 -","4","1","","Duan, Longhui; Wang, Zhonggui; Zhao, Kun; Gu, Zhenhua","Enantioselective preparation of atropisomeric biaryl trifluoromethylsulfanes via ring-opening of cyclic diaryliodoniums.","Chemical communications (Cambridge, England)","2021","57","32","3881","3884","10.1039/d1cc00171j","","x-ray","0.71073","MoKα","","0.0333","0.0288","","","0.0539","0.0562","","","","","","1.049","","","","has coordinates","264863","2021-05-05","08:02:16",""
"7128033","9.1979","0.0002","13.5767","0.0002","24.3814","0.0004","90","","90","","90","","3044.68","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 F3 O4 P S2 -","- C33 H26 F3 O4 P S2 -","- C132 H104 F12 O16 P4 S8 -","4","1","","Duan, Longhui; Wang, Zhonggui; Zhao, Kun; Gu, Zhenhua","Enantioselective preparation of atropisomeric biaryl trifluoromethylsulfanes via ring-opening of cyclic diaryliodoniums.","Chemical communications (Cambridge, England)","2021","57","32","3881","3884","10.1039/d1cc00171j","","x-ray","1.54184","CuKα","","0.0451","0.0427","","","0.1085","0.1112","","","","","","1.024","","","","has coordinates","264863","2021-05-05","08:02:16",""
"7128034","8.3423","0.0008","9.5634","0.0007","15.2295","0.0015","89.937","0.007","79.651","0.008","77.95","0.007","1168.08","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","P 1","P 1","1","","","","- C27 H22 F3 O P S -","- C27 H22 F3 O P S -","- C54 H44 F6 O2 P2 S2 -","2","2","","Duan, Longhui; Wang, Zhonggui; Zhao, Kun; Gu, Zhenhua","Enantioselective preparation of atropisomeric biaryl trifluoromethylsulfanes via ring-opening of cyclic diaryliodoniums.","Chemical communications (Cambridge, England)","2021","57","32","3881","3884","10.1039/d1cc00171j","","x-ray","0.71073","MoKα","","0.0791","0.0659","","","0.1539","0.1677","","","","","","1.042","","","","has coordinates","264863","2021-05-05","08:02:16",""
"7128035","9.8537","0.0011","22.588","0.003","22.749","0.003","90","","97.22","0.004","90","","5023.2","1.1","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 Cl3 F6 N4 O2 P Rh -","- C51 H67 Cl3 F6 N4 O2 P Rh -","- C204 H268 Cl12 F24 N16 O8 P4 Rh4 -","4","1","","Tarrieu, Robert; Delgado, Irene Hernandez; Zinna, Francesco; Dorcet, Vincent; Colombel-Rouen, Sophie; Crévisy, Christophe; Baslé, Olivier; Bosson, Johann; Lacour, Jérôme","Hybrids of cationic [4]helicene and N-heterocyclic carbene as ligands for complexes exhibiting (chir)optical properties in the far red spectral window.","Chemical communications (Cambridge, England)","2021","57","31","3793","3796","10.1039/d1cc00898f","","x-ray","0.71073","MoKα","","0.1861","0.1633","","","0.3558","0.3665","","","","","","1.293","","","","has coordinates,has disorder","264875","2021-05-05","08:06:49",""
"7128036","9.8906","0.0006","12.5154","0.0009","19.2461","0.0013","88.465","0.002","86.617","0.002","87.886","0.002","2375.9","0.3","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C44 H57 Cl4 F6 N4 O2 P Se -","- C44 H57 Cl4 F6 N4 O2 P Se -","- C88 H114 Cl8 F12 N8 O4 P2 Se2 -","2","1","","Tarrieu, Robert; Delgado, Irene Hernandez; Zinna, Francesco; Dorcet, Vincent; Colombel-Rouen, Sophie; Crévisy, Christophe; Baslé, Olivier; Bosson, Johann; Lacour, Jérôme","Hybrids of cationic [4]helicene and N-heterocyclic carbene as ligands for complexes exhibiting (chir)optical properties in the far red spectral window.","Chemical communications (Cambridge, England)","2021","57","31","3793","3796","10.1039/d1cc00898f","","x-ray","0.71073","MoKα","","0.091","0.052","","","0.1292","0.1493","","","","","","1.005","","","","has coordinates","264875","2021-05-05","08:06:50",""
"7128037","18.4663","0.0005","7.888","0.0002","10.6546","0.0003","90","","93.091","0.001","90","","1549.71","0.07","210","2","210","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","","Liu, Huijing; Zhang, Sisi; Ding, Liping; Fang, Yu","Dual-state efficient chromophore with pH-responsive and solvatofluorochromic properties based on an asymmetric single benzene framework.","Chemical communications (Cambridge, England)","2021","57","33","4011","4014","10.1039/d1cc00718a","","","1.34139","GaKα","","0.0399","0.0356","","","0.1032","0.108","","","","","","0.908","","","","has coordinates","264870","2021-05-05","08:04:10",""
"7128038","7.7989","0.0001","15.9461","0.0002","30.2933","0.0003","90","","90","","90","","3767.34","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-(9,10-dihydrophenanthren-9-yl)ethylidene)-2-(2,4-dinitrophenyl)hydrazine","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C176 H144 N32 O32 -","8","2","","Willems, Suzanne; Toupalas, Georgios; Reisenbauer, Julia C.; Morandi, Bill","A site-selective and stereospecific cascade Suzuki-Miyaura annulation of alkyl 1,2-bisboronic esters and 2,2'-dihalo 1,1'-biaryls.","Chemical communications (Cambridge, England)","2021","57","32","3909","3912","10.1039/d1cc00648g","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0834","0.0844","","","","","","1.039","","","","has coordinates","264862","2021-05-05","08:02:04",""
"7128039","4.835","0.0002","18.9867","0.0006","8.4861","0.0003","90","","122.835","0.002","90","","654.57","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B4 Ba F4 O5 -","- B4 Ba F4 O5 -","- B16 Ba4 F16 O20 -","4","1","","Zhang, Wenbin; Guo, Siru; Han, Shujuan; Wang, Liying; Zhou, Xin; Yang, Zhihua; Pan, Shilie","BaB<sub>4</sub>O<sub>5</sub>F<sub>4</sub> with reversible phase transition featuring unprecedented fundamental building blocks of [B<sub>16</sub>O<sub>21</sub>F<sub>16</sub>] in the <i>α</i>-phase and [B<sub>4</sub>O<sub>6</sub>F<sub>4</sub>] in the <i>β</i>-phase.","Chemical communications (Cambridge, England)","2021","57","34","4182","4185","10.1039/d1cc00701g","","","0.71073","MoKα","","0.0185","0.0169","","","0.0394","0.0399","","","","","","1.079","","","","has coordinates","264891","2021-05-05","08:11:32",""
"7128040","4.8464","0.0002","18.6556","0.0006","14.1231","0.0005","90","","91.934","0.0012","90","","1276.18","0.08","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B4 Ba F4 O5 -","- B4 Ba F4 O5 -","- B32 Ba8 F32 O40 -","8","4","","Zhang, Wenbin; Guo, Siru; Han, Shujuan; Wang, Liying; Zhou, Xin; Yang, Zhihua; Pan, Shilie","BaB<sub>4</sub>O<sub>5</sub>F<sub>4</sub> with reversible phase transition featuring unprecedented fundamental building blocks of [B<sub>16</sub>O<sub>21</sub>F<sub>16</sub>] in the <i>α</i>-phase and [B<sub>4</sub>O<sub>6</sub>F<sub>4</sub>] in the <i>β</i>-phase.","Chemical communications (Cambridge, England)","2021","57","34","4182","4185","10.1039/d1cc00701g","","","0.71073","MoKα","","0.0234","0.0207","","","0.0495","0.0503","","","","","","1.019","","","","has coordinates","264891","2021-05-05","08:11:33",""
"7128041","9.212","0.0015","16.537","0.002","13.109","0.003","90","","106.649","0.018","90","","1913.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 N2 Ni O10 -","- C42 H48 N2 Ni O10 -","- C84 H96 N4 Ni2 O20 -","2","0.5","","Li, Qi; Zhang, Qian; Wei, Wu-Ji; Wang, A-Ni; Hu, Ji-Xiang; Wang, Guo-Ming","Light actuated stable radicals of the 9-anthracene carboxylic acid for designing new photochromic complexes.","Chemical communications (Cambridge, England)","2021","57","35","4295","4298","10.1039/d1cc00920f","","","0.71073","MoKα","","0.0613","0.0455","","","0.1237","0.1351","","","","","","1.049","","","","has coordinates","264884","2021-05-05","08:08:41",""
"7128042","39.8703","0.0002","28.1508","0.0001","63.1542","0.0003","90","","92.711","0.001","90","","70803.7","0.6","200","0.1","200.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H64 Cu8 K20 N16 Na19 Nb144 O478 -","- C16 H64 Cu8 K20 N16 Na19 Nb144 O478 -","- C64 H256 Cu32 K80 N64 Na76 Nb576 O1912 -","4","1","","Liang, Zhijie; Qiao, Yuanyuan; Li, Xue; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A large copper-niobate cluster with the pagoda-shaped subunit {Nb<sub>20</sub>O<sub>59</sub>}.","Chemical communications (Cambridge, England)","2021","57","33","3999","4002","10.1039/d1cc00758k","","","1.54178","CuKα","","0.0958","0.0769","","","0.1942","0.2077","","","","","","1.023","","","","has coordinates,has disorder","264868","2021-05-05","08:03:45",""
"7128043","12.9917","0.0004","21.9009","0.0005","22.5682","0.0003","95.436","0.002","95.461","0.002","92.331","0.002","6355.4","0.3","169.99","0.11","169.99","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C123 H153 Cl9 O10 -","- C123 H153 Cl9 O10 -","- C246 H306 Cl18 O20 -","2","1","","Wang, Jia-Qi; Han, Ying; Chen, Chuan-Feng","3,6-Fluoren[5]arenes: synthesis, structure and complexation with fullerenes C<sub>60</sub> and C<sub>70</sub>.","Chemical communications (Cambridge, England)","2021","57","33","3987","3990","10.1039/d1cc00916h","","x-ray","1.54184","CuKα","","0.1256","0.093","","","0.2534","0.2809","","","","","","1.031","","","","has coordinates,has disorder","264869","2021-05-05","08:04:01",""
"7128044","19.83","0.005","15.111","0.003","25.233","0.008","90","","93.958","0.019","90","","7543","3","130","2","130.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H50 N5 Ni Sc3 -","- C124 H50 N5 Ni Sc3 -","- C496 H200 N20 Ni4 Sc12 -","4","1","","Guo, Min; Li, Xiaomeng; Yao, Yang-Rong; Zhuang, Jiaxin; Meng, Qingyu; Yan, Yingjing; Liu, Xinye; Chen, Ning","A non-isolated pentagon rule C<sub>82</sub> cage stabilized by a stretched Sc<sub>3</sub>N cluster.","Chemical communications (Cambridge, England)","2021","57","34","4150","4153","10.1039/d1cc00328c","","","1.54178","CuKα","","0.0921","0.0794","","","0.221","0.2368","","","","","","1.057","","","","has coordinates,has disorder","264890","2021-05-05","08:11:23",""
"7128045","5.3937","0.0002","5.4359","0.0002","35.4175","0.0015","90","","90.977","0.003","90","","1038.28","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-(4-{Dodec-1-yn-1-yl}pyrazol-1-yl)-6-(pyrazol-1-yl)pyridine","","- C23 H29 N5 -","- C23 H29 N5 -","- C46 H58 N10 -","2","1","","Galadzhun, Iurii; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Howard, Mark J.; Halcrow, Malcolm A.","The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals.","Chemical communications (Cambridge, England)","2021","57","33","4039","4042","10.1039/d1cc01073e","","","0.6889","synchrotron","","0.1019","0.0896","","","0.2298","0.2395","","","","","","1.128","","","","has coordinates","264867","2021-05-05","08:03:24",""
"7128046","5.389","0.0001","10.1738","0.0001","19.2473","0.0003","95.529","0.001","94.405","0.001","90.258","0.001","1047.18","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-(4-Dodecylpyrazol-1-yl)-6-(pyrazol-1-yl)pyridine","","- C23 H33 N5 -","- C23 H33 N5 -","- C46 H66 N10 -","2","1","","Galadzhun, Iurii; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Howard, Mark J.; Halcrow, Malcolm A.","The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals.","Chemical communications (Cambridge, England)","2021","57","33","4039","4042","10.1039/d1cc01073e","","","0.6889","synchrotron","","0.0812","0.0543","","","0.1385","0.1492","","","","","","0.972","","","","has coordinates","264867","2021-05-05","08:03:25",""
"7128047","5.3976","0.0001","10.1852","0.0001","20.8348","0.0003","87.345","0.001","84.116","0.001","89.84","0.001","1138.15","0.03","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-(4-Tetradecylpyrazol-1-yl)-6-(pyrazol-1-yl)pyridine","","- C25 H37 N5 -","- C25 H37 N5 -","- C50 H74 N10 -","2","1","","Galadzhun, Iurii; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Howard, Mark J.; Halcrow, Malcolm A.","The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals.","Chemical communications (Cambridge, England)","2021","57","33","4039","4042","10.1039/d1cc01073e","","","0.6889","synchrotron","","0.0777","0.0609","","","0.1666","0.1798","","","","","","1.032","","","","has coordinates","264867","2021-05-05","08:03:25",""
"7128048","10.8639","0.0002","15.2602","0.0003","30.1058","0.0006","97.198","0.002","97.749","0.002","90.119","0.002","4905.63","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis-[2-(4-dodecylpyrazol-1-yl)-6-(pyrazol-1-yl)pyridine]iron(II)ditetrafluoroborate","","- C46 H66 B2 F8 Fe N10 -","- C46 H66 B2 F8 Fe N10 -","- C184 H264 B8 F32 Fe4 N40 -","4","2","","Galadzhun, Iurii; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Howard, Mark J.; Halcrow, Malcolm A.","The flexibility of long chain substituents influences spin-crossover in isomorphous lipid bilayer crystals.","Chemical communications (Cambridge, England)","2021","57","33","4039","4042","10.1039/d1cc01073e","","","0.6889","synchrotron","","0.1937","0.0755","","","0.1659","0.2162","","","","","","0.88","","","","has coordinates","264867","2021-05-05","08:03:25",""
"7128049","17.7969","0.0002","8.4754","0.0001","19.1353","0.0001","90","","90","","90","","2886.29","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N O -","- C17 H14 F3 N O -","- C136 H112 F24 N8 O8 -","8","1","","Ji, Wangqin; Wu, Hai-Hong; Li, Wenbo; Zhang, Junliang","Copper-catalyzed cyclization reaction: synthesis of trifluoromethylated indolinyl ketones.","Chemical communications (Cambridge, England)","2021","57","36","4448","4451","10.1039/d1cc00960e","","x-ray","1.54184","CuKα","","0.0377","0.036","","","0.0929","0.0942","","","","","","1.082","","","","has coordinates","265891","2021-06-05","17:31:06",""
"7128050","16.8549","0.0014","9.7346","0.0007","10.8047","0.0008","90","","102.873","0.008","90","","1728.2","0.2","291.9","0.16","291.9","0.16","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B Br N O5 -","- C16 H19 B Br N O5 -","- C64 H76 B4 Br4 N4 O20 -","4","1","","Wang, Lucia; Lin, Shengjia; Zhu, Yawei; Ferrante, Daniel; Ishak, Timaf; Baba, Yuki; Sharma, Abhishek","α-Hydroxy boron-enabled regioselective access to bifunctional halo-boryl alicyclic ethers and α-halo borons.","Chemical communications (Cambridge, England)","2021","57","37","4564","4567","10.1039/d1cc00336d","","x-ray","0.71073","MoKα","","0.1355","0.0664","","","0.1263","0.1582","","","","","","1.018","","","","has coordinates","265841","2021-06-05","17:17:47",""
"7128051","11.7731","0.0008","6.9423","0.0004","40.482","0.003","90","","90","","90","","3308.7","0.4","292.11","0.19","292.11","0.19","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H17 B Br N O5 -","- C15 H17 B Br N O5 -","- C120 H136 B8 Br8 N8 O40 -","8","2","","Wang, Lucia; Lin, Shengjia; Zhu, Yawei; Ferrante, Daniel; Ishak, Timaf; Baba, Yuki; Sharma, Abhishek","α-Hydroxy boron-enabled regioselective access to bifunctional halo-boryl alicyclic ethers and α-halo borons.","Chemical communications (Cambridge, England)","2021","57","37","4564","4567","10.1039/d1cc00336d","","x-ray","1.54184","CuKα","","0.0996","0.0832","","","0.2259","0.2401","","","","","","1.079","","","","has coordinates","265841","2021-06-05","17:17:47",""
"7128052","17.729","0.001","12.9542","0.0007","13.1242","0.001","90","","109.149","0.007","90","","2847.4","0.3","293.21","0.1","293.21","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H17 B Br N O5 -","- C11 H17 B Br N O5 -","- C88 H136 B8 Br8 N8 O40 -","8","1","","Wang, Lucia; Lin, Shengjia; Zhu, Yawei; Ferrante, Daniel; Ishak, Timaf; Baba, Yuki; Sharma, Abhishek","α-Hydroxy boron-enabled regioselective access to bifunctional halo-boryl alicyclic ethers and α-halo borons.","Chemical communications (Cambridge, England)","2021","57","37","4564","4567","10.1039/d1cc00336d","","x-ray","1.54184","CuKα","","0.0571","0.0477","","","0.1294","0.1377","","","","","","1.059","","","","has coordinates","265841","2021-06-05","17:17:47",""
"7128053","15.325","0.001","10.1376","0.0007","17.7593","0.0011","90","","103.791","0.003","90","","2679.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N4 -","- C34 H32 N4 -","- C136 H128 N16 -","4","1","","Kalaiselvan, Arumugan; Spergen, Aswini; Krishna, Isukapalli Sai Vamsi; Reddy, Vennapusa Sivaranjana; Gokulnath, Sabapathi","Double intramolecular hydrogen transfer assisted dual emission in a carbazole-embedded porphyrin-like macrocycle.","Chemical communications (Cambridge, England)","2021","57","36","4420","4423","10.1039/d1cc00868d","","","0.71073","MoKα","","0.105","0.0517","","","0.1252","0.1613","","","","","","1.044","","","","has coordinates,has disorder","265893","2021-06-05","17:31:26",""
"7128054","15.1534","0.0015","11.5996","0.0011","22.244","0.002","90","","99.375","0.003","90","","3857.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 F10 N4 -","- C46 H30 F10 N4 -","- C184 H120 F40 N16 -","4","1","","Kalaiselvan, Arumugan; Spergen, Aswini; Krishna, Isukapalli Sai Vamsi; Reddy, Vennapusa Sivaranjana; Gokulnath, Sabapathi","Double intramolecular hydrogen transfer assisted dual emission in a carbazole-embedded porphyrin-like macrocycle.","Chemical communications (Cambridge, England)","2021","57","36","4420","4423","10.1039/d1cc00868d","","","0.71073","MoKα","","0.1284","0.0509","","","0.1067","0.1453","","","","","","0.999","","","","has coordinates","265893","2021-06-05","17:31:27",""
"7128055","17.3497","0.0011","19.2946","0.0012","20.3454","0.0012","78.751","0.002","86.794","0.002","82.449","0.002","6618.8","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H35 N5 -","- C38 H35 N5 -","- C304 H280 N40 -","8","4","","Kalaiselvan, Arumugan; Spergen, Aswini; Krishna, Isukapalli Sai Vamsi; Reddy, Vennapusa Sivaranjana; Gokulnath, Sabapathi","Double intramolecular hydrogen transfer assisted dual emission in a carbazole-embedded porphyrin-like macrocycle.","Chemical communications (Cambridge, England)","2021","57","36","4420","4423","10.1039/d1cc00868d","","","0.71073","MoKα","","0.1599","0.0632","","","0.1583","0.2169","","","","","","1.017","","","","has coordinates,has disorder","265893","2021-06-05","17:31:27",""
"7128056","13.135","0.002","10.7195","0.0017","13.166","0.002","90","","102.281","0.01","90","","1811.4","0.5","302","2","302","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(2,6-dimethylphenyl)-2-pivalamidobenzamide","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Yao, Tuanli; Wang, Bo; Ren, Beige; Qin, Xiangyang; Li, Tao","Palladium-catalyzed Ugi-type reaction of 2-iodoanilines with isocyanides and carboxylic acids affording <i>N</i>-acyl anthranilamides.","Chemical communications (Cambridge, England)","2021","57","35","4247","4250","10.1039/d1cc01226f","","","0.71073","MoKα","","0.1789","0.0621","","","0.1478","0.1964","","","","","","1.014","","","","has coordinates","264881","2021-05-05","08:08:14",""
"7128057","18.408","0.006","23.209","0.007","30.524","0.012","90","","90.126","0.005","90","","13041","8","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C70 H170 Br12 Mn18 N18 O42 -","- C60 H130 Br12 Mn18 N18 O32 -","- C240 H520 Br48 Mn72 N72 O128 -","4","0.5","","Coletta, Marco; Tziotzi, Thomais G.; Gray, Mark; Nichol, Gary S.; Singh, Mukesh K.; Milios, Constantinos J.; Brechin, Euan K.","A [Mn<sub>18</sub>] wheel-of-wheels.","Chemical communications (Cambridge, England)","2021","57","34","4122","4125","10.1039/d1cc00185j","","x-ray","0.6889","Synchrotron","","0.146","0.1166","","","0.3142","0.3477","","","","","","1.085","","","","has coordinates","264889","2021-05-05","08:11:06",""
"7128058","13.9263","0.001","12.3383","0.0009","7.8707","0.0006","90","","97.311","0.003","90","","1341.4","0.17","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O S2 -","- C16 H12 O S2 -","- C64 H48 O4 S8 -","4","1","","Sundaravelu, Nallappan; Singha, Tushar; Nandy, Anuradha; Sekar, Govindasamy","Copper-catalyzed domino synthesis of multi-substituted benzo[b]thiophene through radical cyclization using xanthate as a sulfur surrogate.","Chemical communications (Cambridge, England)","2021","57","37","4512","4515","10.1039/d0cc08429h","","","0.71073","MoKα","","0.0473","0.0334","","","0.0785","0.0892","","","","","","1.009","","","","has coordinates","265848","2021-06-05","17:18:52",""
"7128059","6.9373","0.0003","9.0024","0.0004","11.0434","0.0005","88.3339","0.0018","86.4577","0.0018","76.6509","0.0016","669.69","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C32 H20 O4 S4 -","2","1","","Sundaravelu, Nallappan; Singha, Tushar; Nandy, Anuradha; Sekar, Govindasamy","Copper-catalyzed domino synthesis of multi-substituted benzo[b]thiophene through radical cyclization using xanthate as a sulfur surrogate.","Chemical communications (Cambridge, England)","2021","57","37","4512","4515","10.1039/d0cc08429h","","","0.71073","MoKα","","0.0408","0.0365","","","0.1182","0.1279","","","","","","0.951","","","","has coordinates","265848","2021-06-05","17:18:52",""
"7128060","9.137","0.0003","9.3396","0.0004","9.341","0.0003","105.238","0.0017","102.339","0.0017","91.2454","0.0018","748.76","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N O S2 -","- C17 H15 N O S2 -","- C34 H30 N2 O2 S4 -","2","1","","Sundaravelu, Nallappan; Singha, Tushar; Nandy, Anuradha; Sekar, Govindasamy","Copper-catalyzed domino synthesis of multi-substituted benzo[b]thiophene through radical cyclization using xanthate as a sulfur surrogate.","Chemical communications (Cambridge, England)","2021","57","37","4512","4515","10.1039/d0cc08429h","","","0.71073","MoKα","","0.0391","0.0328","","","0.0841","0.0914","","","","","","1.036","","","","has coordinates","265848","2021-06-05","17:18:52",""
"7128061","25.1867","0.0015","13.4727","0.0008","11.4702","0.0007","90","","111.67","0.001","90","","3617.1","0.4","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 F3 I P2 Pd -","- C43 H34 F3 I P2 Pd -","- C172 H136 F12 I4 P8 Pd4 -","4","0.5","","Karpov, Gleb O.; Ren, Xiang-Kui; Melnikova, Elizaveta K.; Bermeshev, Maxim V.","Activation of Pd-precatalysts by organic compounds for vinyl-addition polymerization of a norbornene derivative.","Chemical communications (Cambridge, England)","2021","57","35","4255","4258","10.1039/d1cc00546d","","","0.71073","MoKα","","0.0669","0.039","","","0.0755","0.0862","","","","","","1.006","","","","has coordinates","264883","2021-05-05","08:08:33",""
"7128062","26.025","0.008","26.025","0.008","12.283","0.005","90","","90","","90","","8319","5","273","2","273","2","","","","","","","","3","P -4 n 2","P -4 -2n","118","","","","- C148 H120 S16 -","- C148 H120 S16 -","- C296 H240 S32 -","2","0.25","","Basavarajappa, Ashokkumar; Ambhore, Madan D.; Anand, Venkataramanarao G.","Three dimensional isophlorinoid tetrapodal molecular cage.","Chemical communications (Cambridge, England)","2021","57","35","4299","4302","10.1039/d1cc01002f","","","0.71073","MoKα","","0.1277","0.095","","","0.2524","0.2857","","","","","","1.038","","","","has coordinates","264887","2021-05-05","08:10:25",""
"7128063","13.11","0.03","25.03","0.06","28.95","0.07","90","","90.27","0.03","90","","9500","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C92 H72 S12 -","- C92 H72 S12 -","- C368 H288 S48 -","4","1","","Basavarajappa, Ashokkumar; Ambhore, Madan D.; Anand, Venkataramanarao G.","Three dimensional isophlorinoid tetrapodal molecular cage.","Chemical communications (Cambridge, England)","2021","57","35","4299","4302","10.1039/d1cc01002f","","","0.71073","MoKα","","0.2137","0.1378","","","0.3345","0.3744","","","","","","1.053","","","","has coordinates,has disorder","264887","2021-05-05","08:10:28",""
"7128064","12.9925","0.0002","17.0979","0.0003","19.4724","0.0003","67.218","0.001","77.55","0.001","89.347","0.001","3881.93","0.11","100","0.3","100","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C89 H59 B F24 Fe P2 Ru -","- C89 H59 B F24 Fe P2 Ru -","- C178 H118 B2 F48 Fe2 P4 Ru2 -","2","1","","Korb, Marcus; Moggach, Stephen A.; Low, Paul J.","Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.","Chemical communications (Cambridge, England)","2021","57","35","4251","4254","10.1039/d1cc00605c","","","1.54184","CuKα","","0.0546","0.0499","","","0.1349","0.139","","","","","","1.066","","","","has coordinates","264885","2021-05-05","08:09:25",""
"7128065","10.4117","0.0004","31.4879","0.0016","24.3673","0.0014","90","","92.969","0.004","90","","7977.9","0.7","114.95","0.1","114.95","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C86 H60 B Cl3 F24 Fe2 P2 Ru -","- C86 H60 B Cl3 F24 Fe2 P2 Ru -","- C344 H240 B4 Cl12 F96 Fe8 P8 Ru4 -","4","1","","Korb, Marcus; Moggach, Stephen A.; Low, Paul J.","Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.","Chemical communications (Cambridge, England)","2021","57","35","4251","4254","10.1039/d1cc00605c","","","0.71073","MoKα","","0.1695","0.0832","","","0.1775","0.2202","","","","","","1.023","","","","has coordinates,has disorder","264885","2021-05-05","08:09:33",""
"7128066","37.1212","0.001","12.8085","0.0002","36.2792","0.0007","90","","108.987","0.003","90","","16311.1","0.7","99.9","0.4","99.9","0.4","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H63 B F24 Fe2 P2 Ru -","- C93 H63 B F24 Fe2 P2 Ru -","- C744 H504 B8 F192 Fe16 P16 Ru8 -","8","1","","Korb, Marcus; Moggach, Stephen A.; Low, Paul J.","Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.","Chemical communications (Cambridge, England)","2021","57","35","4251","4254","10.1039/d1cc00605c","","","1.54184","CuKα","","0.097","0.0755","","","0.1834","0.1958","","","","","","1.025","","","","has coordinates,has disorder","264885","2021-05-05","08:09:44",""
"7128067","14.9101","0.0005","16.8933","0.0005","17.7738","0.0006","115.156","0.003","99.515","0.003","97.565","0.002","3892.9","0.3","169.9","0.2","169.9","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C158 H106 B2 Cl6 F48 Fe2 P4 Ru2 -","- C158 H106 B2 Cl6 F48 Fe2 P4 Ru2 -","- C158 H106 B2 Cl6 F48 Fe2 P4 Ru2 -","1","0.5","","Korb, Marcus; Moggach, Stephen A.; Low, Paul J.","Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.","Chemical communications (Cambridge, England)","2021","57","35","4251","4254","10.1039/d1cc00605c","","","0.71073","MoKα","","0.0786","0.0532","","","0.1191","0.1283","","","","","","1.049","","","","has coordinates,has disorder","264885","2021-05-05","08:09:55",""
"7128068","12.9737","0.0001","14.0197","0.0001","18.0024","0.0002","109.885","0.001","100.15","0.001","94.185","0.001","2999.58","0.05","100.2","0.7","100.2","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C64 H41 B F24 O P2 Ru -","- C64 H41 B F24 O P2 Ru -","- C128 H82 B2 F48 O2 P4 Ru2 -","2","1","","Korb, Marcus; Moggach, Stephen A.; Low, Paul J.","Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.","Chemical communications (Cambridge, England)","2021","57","35","4251","4254","10.1039/d1cc00605c","","","1.54184","CuKα","","0.0451","0.0394","","","0.1013","0.1049","","","","","","1.07","","","","has coordinates,has disorder","264885","2021-05-05","08:09:57",""
"7128069","15.6941","0.0001","16.9671","0.0001","17.0957","0.0001","103.166","0.001","114.272","0.001","109.21","0.001","3553.32","0.08","99.9","0.5","99.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C76 H55 B F24 Fe O P2 Ru -","- C76 H55 B F24 Fe O P2 Ru -","- C152 H110 B2 F48 Fe2 O2 P4 Ru2 -","2","1","","Korb, Marcus; Moggach, Stephen A.; Low, Paul J.","Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.","Chemical communications (Cambridge, England)","2021","57","35","4251","4254","10.1039/d1cc00605c","","","1.54184","CuKα","","0.0377","0.0333","","","0.0854","0.0877","","","","","","1.062","","","","has coordinates,has disorder","264885","2021-05-05","08:10:00",""
"7128070","12.4788","0.0017","19.2697","0.0019","18.877","0.003","90","","90.694","0.008","90","","4538.9","1.1","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H44 F15 N5 -","- C49 H44 F15 N5 -","- C196 H176 F60 N20 -","4","1","","Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Diverse reactivity of carbenes and silylenes towards fluoropyridines.","Chemical communications (Cambridge, England)","2021","57","36","4428","4431","10.1039/d1cc01401c","","","1.54178","CuKα","","0.0729","0.0637","","","0.1207","0.1279","","","","","","1.068","","","","has coordinates","265890","2021-06-05","17:30:53",""
"7128071","10.7352","0.0003","17.745","0.0005","18.4206","0.0005","90","","100.624","0.002","90","","3448.9","0.17","100","2","99.89","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 B Cl2 F8 N3 -","- C31 H38 B Cl1.9999 F8 N3 -","- C124 H152 B4 Cl7.9996 F32 N12 -","4","1","","Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Diverse reactivity of carbenes and silylenes towards fluoropyridines.","Chemical communications (Cambridge, England)","2021","57","36","4428","4431","10.1039/d1cc01401c","","","0.71073","MoKα","","0.0665","0.0541","","","0.1427","0.1523","","","","","","1.03","","","","has coordinates,has disorder","265890","2021-06-05","17:30:53",""
"7128072","10.35","0.002","11.9292","0.0018","22.376","0.012","83.095","0.018","83.19","0.02","70.263","0.012","2572.5","1.5","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H51 B F16 N2 -","- C57 H51 B F16 N2 -","- C114 H102 B2 F32 N4 -","2","1","","Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Diverse reactivity of carbenes and silylenes towards fluoropyridines.","Chemical communications (Cambridge, England)","2021","57","36","4428","4431","10.1039/d1cc01401c","","","0.71073","MoKα","","0.078","0.062","","","0.1476","0.1551","","","","","","1.096","","","","has coordinates","265890","2021-06-05","17:30:53",""
"7128073","15.6778","0.0015","19.214","0.002","26.77","0.003","90","","105.888","0.003","90","","7756","1.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H85 Cl12 F8 N5 Si -","- C65 H85 Cl12 F8 N5 Si -","- C260 H340 Cl48 F32 N20 Si4 -","4","1","","Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Diverse reactivity of carbenes and silylenes towards fluoropyridines.","Chemical communications (Cambridge, England)","2021","57","36","4428","4431","10.1039/d1cc01401c","","","0.71073","MoKα","","0.1095","0.0855","","","0.2118","0.2297","","","","","","1.063","","","","has coordinates,has disorder","265890","2021-06-05","17:30:53",""
"7128074","24.4829","0.001","13.9216","0.0007","42.4462","0.0019","90","","90","","90","","14467.4","1.1","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H50 F5 N3 Si5 -","- C29 H50 F5 N3 Si5 -","- C464 H800 F80 N48 Si80 -","16","2","","Kundu, Gargi; Ajithkumar, V. S.; Bisai, Milan Kumar; Tothadi, Srinu; Das, Tamal; Vanka, Kumar; Sen, Sakya S.","Diverse reactivity of carbenes and silylenes towards fluoropyridines.","Chemical communications (Cambridge, England)","2021","57","36","4428","4431","10.1039/d1cc01401c","","","0.71073","MoKα","","0.0512","0.0425","","","0.0972","0.1014","","","","","","1.145","","","","has coordinates","265890","2021-06-05","17:30:53",""
"7128075","6.8571","0.0008","9.7204","0.0011","10.0406","0.001","64.131","0.01","88.185","0.009","86.345","0.01","600.95","0.13","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Mo N4 O3 -","- C11 H8 Mo N4 O3 -","- C22 H16 Mo2 N8 O6 -","2","1","","Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.","Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.","Chemical communications (Cambridge, England)","2021","57","32","3861","3864","10.1039/d1cc00864a","","x-ray","0.71073","MoKα","","0.0572","0.0361","","","0.064","0.0672","","","","","","0.868","","","","has coordinates","264865","2021-05-05","08:02:46",""
"7128076","16.13834","0.00017","16.13834","0.00017","16.13834","0.00017","90","","90","","90","","4203.17","0.08","120","0.1","120","0.1","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C9 H6 N3 O3 W -","- C9 H6 N3 O3 W -","- C144 H96 N48 O48 W16 -","16","0.333333","","Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.","Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.","Chemical communications (Cambridge, England)","2021","57","32","3861","3864","10.1039/d1cc00864a","","x-ray","0.71073","MoKα","","0.0232","0.017","","","0.0238","0.0252","","","","","","1.113","","","","has coordinates","264865","2021-05-05","08:02:46",""
"7128077","16.2253","0.0005","16.2253","0.0005","16.2253","0.0005","90","","90","","90","","4271.5","0.2","120","0.1","120","0.1","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C9 H6 Mo N3 O3 -","- C9 H6 Mo N3 O3 -","- C144 H96 Mo16 N48 O48 -","16","0.333333","","Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.","Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.","Chemical communications (Cambridge, England)","2021","57","32","3861","3864","10.1039/d1cc00864a","","x-ray","0.71073","MoKα","","0.0426","0.0305","","","0.0484","0.0546","","","","","","1.071","","","","has coordinates","264865","2021-05-05","08:02:46",""
"7128078","15.8757","0.0006","15.8757","0.0006","15.8757","0.0006","90","","90","","90","","4001.3","0.3","119.99","0.1","119.99","0.1","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C9 H6 Cr N3 O3 -","- C9 H6 Cr N3 O3 -","- C144 H96 Cr16 N48 O48 -","16","0.333333","","Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.","Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.","Chemical communications (Cambridge, England)","2021","57","32","3861","3864","10.1039/d1cc00864a","","x-ray","0.71073","MoKα","","0.0436","0.0359","","","0.0726","0.0766","","","","","","1.107","","","","has coordinates","264865","2021-05-05","08:02:46",""
"7128079","17.8974","0.0007","9.9861","0.0005","6.7067","0.0003","90","","90.482","0.004","90","","1198.61","0.09","120","0.1","120","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H6 N3 O3 W -","- C8.9998 H5.9998 N3 O3 W -","- C35.9992 H23.9992 N12 O12 W4 -","4","0.5","","Voigt, Laura; Wugt Larsen, René; Kubus, Mariusz; Pedersen, Kasper S.","Zero-valent metals in metal-organic frameworks: fac-M(CO)<sub>3</sub>(pyrazine)<sub>3/2</sub>.","Chemical communications (Cambridge, England)","2021","57","32","3861","3864","10.1039/d1cc00864a","","x-ray","0.71073","MoKα","","0.0216","0.0215","","","0.0421","0.0422","","","","","","1.012","","","","has coordinates,has disorder","264865","2021-05-05","08:02:46",""
"7128080","14.0215","0.0004","15.7562","0.0004","25.1672","0.0006","90.777","0.002","91.477","0.002","105.027","0.002","5367","0.2","173","0.1","173","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C213 H190 Cl10 Cu16 F12 N12 O12 P12 S4 -","- C213 H190 Cl10 Cu16 F12 N12 O12 P12 S4 -","- C213 H190 Cl10 Cu16 F12 N12 O12 P12 S4 -","1","0.5","","Yuan, Shang-Fu; Luyang, Heng-Wang; Lei, Zhen; Wan, Xian-Kai; Li, Jiao-Jiao; Wang, Quan-Ming","A stable well-defined copper hydride cluster consolidated with hemilabile phosphines.","Chemical communications (Cambridge, England)","2021","57","35","4315","4318","10.1039/d1cc01161h","","","1.54178","CuKα","","0.0849","0.0672","","","0.1637","0.1784","","","","","","1.021","","","","has coordinates","264886","2021-05-05","08:10:13",""
"7128081","8.9295","0.0002","9.7179","0.0001","17.1819","0.0001","94.114","0.001","90.034","0.001","101.369","0.001","1457.79","0.04","199","2","199","2","","","","","","","","6","P -1","-P 1","2","[Cp*Os(PCy3)H4][BF4]","","","- C28 H52 B F4 Os P -","- C28 H52 B F4 Os P -","- C56 H104 B2 F8 Os2 P2 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0414","0.0333","","","0.0648","0.0681","","","","","","1.6518","","","","has coordinates","264873","2021-05-05","08:06:26",""
"7128082","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0299","0.0197","","","0.0321","0.0332","","","","","","1.2186","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128083","8.9295","0.0002","9.7179","0.0001","17.1819","0.0001","94.114","0.001","90.034","0.001","101.369","0.001","1457.79","0.04","199","2","199","2","","","","","","","","6","P -1","-P 1","2","[Cp*Os(PCy3)H4][BF4]","","","- C28 H52 B F4 Os P -","- C28 H52 B F4 Os P -","- C56 H104 B2 F8 Os2 P2 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0415","0.0335","","","0.0737","0.0808","","","","","","1.0734","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128084","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0305","0.0204","","","0.0338","0.0348","","","","","","1.2567","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128085","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0286","0.0186","","","0.0365","0.0386","","","","","","0.9641","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128086","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0301","0.02","","","0.033","0.0341","","","","","","1.2298","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128087","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0372","0.0268","","","0.0657","0.0692","","","","","","0.9963","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128088","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite)iron(II)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0298","0.0196","","","0.0318","0.0329","","","","","","1.2082","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128089","11.228","0.003","11.101","0.003","23.414","0.007","90","","102.28","0.04","90","","2851.6","1.4","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 B Cl O2 P2 Rh -","- C24 H47 B Cl O2 P2 Rh -","- C96 H188 B4 Cl4 O8 P8 Rh4 -","4","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0292","0.0256","","","0.0556","0.0577","","","","","","1.0595","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128090","11.228","0.003","11.101","0.003","23.414","0.007","90","","102.28","0.04","90","","2851.6","1.4","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 B Cl O2 P2 Rh -","- C24 H47 B Cl O2 P2 Rh -","- C96 H188 B4 Cl4 O8 P8 Rh4 -","4","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0251","0.0215","","","0.0281","0.0286","","","","","","1.7281","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128091","9.6397","0.0012","10.441","0.0013","18.381","0.002","102.148","0.015","94.667","0.015","107.402","0.014","1705","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Dicarbonyl-cis-dihydrido-trans-bis(triphenylphosphite-O)-iron(ii)","","- C38 H32 Fe O8 P2 -","- C38 H32 Fe O8 P2 -","- C76 H64 Fe2 O16 P4 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0288","0.0187","","","0.0369","0.0389","","","","","","0.9683","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128092","9.3827","0.0002","18.4666","0.0005","18.9153","0.0005","90","","92.516","0.001","90","","3274.23","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 N9 Ru Si3 -","- C27 H55 N9 Ru Si3 -","- C108 H220 N36 Ru4 Si12 -","4","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0329","0.0208","","","0.0293","0.034","","","","","","0.9668","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128093","13.9065","0.0003","12.1742","0.0003","18.3076","0.0004","90","","94.385","0.002","90","","3090.41","0.12","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0457","0.0356","","","0.0763","0.0839","","","","","","1.0648","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128094","9.3827","0.0002","18.4666","0.0005","18.9153","0.0005","90","","92.516","0.001","90","","3274.23","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H55 N9 Ru Si3 -","- C27 H55 N9 Ru Si3 -","- C108 H220 N36 Ru4 Si12 -","4","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0383","0.0261","","","0.0566","0.0627","","","","","","1.012","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128095","13.9065","0.0003","12.1742","0.0003","18.3076","0.0004","90","","94.385","0.002","90","","3090.41","0.12","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Woińska, Magdalena; Chodkiewicz, Michał L; Woźniak, Krzysztof","Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms.","Chemical communications (Cambridge, England)","2021","57","30","3652","3655","10.1039/d0cc07661a","","","0.71073","MoKα","","0.0482","0.0382","","","0.0845","0.0924","","","","","","1.0579","","","","has coordinates","264873","2021-05-05","08:06:27",""
"7128096","5.2298","0.0004","20.4052","0.0011","11.804","0.001","90","","102.895","0.008","90","","1227.9","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N O -","- C15 H10 Cl N O -","- C60 H40 Cl4 N4 O4 -","4","1","","Liu, Jin-Biao; Ren, Miaofeng; Lai, Xiaojing; Qiu, Guanyinsheng","Iron-catalyzed stereoselective haloamidation of amide-tethered alkynes.","Chemical communications (Cambridge, England)","2021","57","35","4259","4262","10.1039/d1cc00870f","","x-ray","0.71073","MoKα","","0.0504","0.0377","","","0.0866","0.0937","","","","","","1.031","","","","has coordinates","264888","2021-05-05","08:10:50",""
"7128097","21.9496","0.0003","21.9496","0.0003","7.9389","0.0002","90","","90","","90","","3824.84","0.12","170","0.1","170","0.1","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C25 H19 N O -","- C25 H19 N O -","- C200 H152 N8 O8 -","8","1","","Bi, Weiyang; Yang, Yunhui; Ye, Song; Wang, Congyang","Umpolung coupling of pyridine-2-carboxaldehydes and propargylic carbonates <i>via</i> N-heterocyclic carbene/palladium synergetic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4452","4455","10.1039/d1cc01311d","","x-ray","0.71073","MoKα","","0.0533","0.0438","","","0.1135","0.1189","","","","","","1.038","","","","has coordinates","265889","2021-06-05","17:30:07",""
"7128098","13.2176","0.0004","16.9304","0.0004","16.1942","0.0004","90","","91.781","0.002","90","","3622.18","0.17","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C5 H30 K3 Mn Na3 O36 W6 -","- C5 H30 K3 Mn Na3 O36 W6 -","- C20 H120 K12 Mn4 Na12 O144 W24 -","4","1","","Li, Qi; Wei, Yongge","Unprecedented monofunctionalized β-Anderson clusters: [R<sub>1</sub>R<sub>2</sub>C(CH<sub>2</sub>O)<sub>2</sub>Mn<sup>IV</sup>W<sub>6</sub>O<sub>22</sub>]<sup>6-</sup>, a class of potential candidates for new inorganic linkers.","Chemical communications (Cambridge, England)","2021","57","32","3865","3868","10.1039/d1cc00563d","","x-ray","0.71073","MoKα","","0.0325","0.0269","","","0.0496","0.0519","","","","","","1.053","","","","has coordinates","264866","2021-05-05","08:03:07",""
"7128099","16.8017","0.0009","12.0565","0.0007","17.3015","0.001","90","","98.226","0.005","90","","3468.7","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C4 H29.5 K3.5 Mn N Na1.5 O34.75 W6 -","- C4 H10 K3.5 Mn N Na1.5 O34.75 W6 -","- C16 H40 K14 Mn4 N4 Na6 O139 W24 -","4","1","","Li, Qi; Wei, Yongge","Unprecedented monofunctionalized β-Anderson clusters: [R<sub>1</sub>R<sub>2</sub>C(CH<sub>2</sub>O)<sub>2</sub>Mn<sup>IV</sup>W<sub>6</sub>O<sub>22</sub>]<sup>6-</sup>, a class of potential candidates for new inorganic linkers.","Chemical communications (Cambridge, England)","2021","57","32","3865","3868","10.1039/d1cc00563d","","x-ray","0.71073","MoKα","","0.0688","0.0508","","","0.1019","0.1123","","","","","","1.066","","","","has coordinates,has disorder","264866","2021-05-05","08:03:08",""
"7128100","11.2401","0.0008","12.3767","0.001","13.7509","0.0011","87.069","0.007","89.529","0.006","69.663","0.007","1791.3","0.3","109.7","0.7","109.7","0.7","","","","","","","","9","P -1","-P 1","2","","","","- C8 H61 Ag K7 Mn2 N2 Na2 O70.5 W12 -","- C8 H20 Ag K7 Mn2 N2 Na2 O70.5 W12 -","- C8 H20 Ag K7 Mn2 N2 Na2 O70.5 W12 -","1","0.5","","Li, Qi; Wei, Yongge","Unprecedented monofunctionalized β-Anderson clusters: [R<sub>1</sub>R<sub>2</sub>C(CH<sub>2</sub>O)<sub>2</sub>Mn<sup>IV</sup>W<sub>6</sub>O<sub>22</sub>]<sup>6-</sup>, a class of potential candidates for new inorganic linkers.","Chemical communications (Cambridge, England)","2021","57","32","3865","3868","10.1039/d1cc00563d","","x-ray","1.54184","CuKα","","0.0604","0.0485","","","0.1246","0.1356","","","","","","1.033","","","","has coordinates,has disorder","264866","2021-05-05","08:03:08",""
"7128101","16.7373","0.0006","12.0905","0.0004","17.2671","0.0005","90","","98.832","0.003","90","","3452.8","0.2","100","0.1","100","0.1","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C4 H28 K3.67 Mn N Na1.33 O33 W6 -","- C4 H10 K3.66665 Mn N Na1.3333 O33 W6 -","- C16 H40 K14.6666 Mn4 N4 Na5.3332 O132 W24 -","4","1","","Li, Qi; Wei, Yongge","Unprecedented monofunctionalized β-Anderson clusters: [R<sub>1</sub>R<sub>2</sub>C(CH<sub>2</sub>O)<sub>2</sub>Mn<sup>IV</sup>W<sub>6</sub>O<sub>22</sub>]<sup>6-</sup>, a class of potential candidates for new inorganic linkers.","Chemical communications (Cambridge, England)","2021","57","32","3865","3868","10.1039/d1cc00563d","","x-ray","0.71073","MoKα","","0.0402","0.0337","","","0.0811","0.0859","","","","","","1.07","","","","has coordinates,has disorder","264866","2021-05-05","08:03:08",""
"7128102","10.2889","0.0003","10.7488","0.0003","18.3923","0.0006","95.613","0.003","97.191","0.003","111.82","0.003","1850.34","0.11","100.01","0.13","100.01","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C6 H28 K4 Mn Na2 O33 W6 -","- C6 H12 K4 Mn Na2 O33 W6 -","- C12 H24 K8 Mn2 Na4 O66 W12 -","2","1","","Li, Qi; Wei, Yongge","Unprecedented monofunctionalized β-Anderson clusters: [R<sub>1</sub>R<sub>2</sub>C(CH<sub>2</sub>O)<sub>2</sub>Mn<sup>IV</sup>W<sub>6</sub>O<sub>22</sub>]<sup>6-</sup>, a class of potential candidates for new inorganic linkers.","Chemical communications (Cambridge, England)","2021","57","32","3865","3868","10.1039/d1cc00563d","","x-ray","0.71073","MoKα","","0.0595","0.0511","","","0.1133","0.1169","","","","","","1.16","","","","has coordinates,has disorder","264866","2021-05-05","08:03:08",""
"7128103","10.1464","0.0006","13.158","0.0009","14.54","0.0011","77.1","0.003","79.36","0.003","79.807","0.003","1840.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Fe2 K2 N12 O4 -","- C36 H30 Fe2 K2 N12 O4 -","- C72 H60 Fe4 K4 N24 O8 -","2","1","","Vittardi, Sebastian B.; Magar, Rajani Thapa; Schrage, Briana R.; Ziegler, Christopher J.; Jakubikova, Elena; Rack, Jeffrey J.","Evidence for a lowest energy <sup>3</sup>MLCT excited state in [Fe(tpy)(CN)<sub>3</sub>]<sup/>.","Chemical communications (Cambridge, England)","2021","57","38","4658","4661","10.1039/d1cc01090e","","","0.71073","MoKα","","0.0284","0.0237","","","0.0624","0.0639","","","","","","1.036","","","","has coordinates","265906","2021-06-05","17:34:19",""
"7128104","16.823","0.002","6.4449","0.0009","16.163","0.002","90","","111.306","0.004","90","","1632.7","0.4","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ag Ga6 Rb S10 -","- Ag Ga6 Rb S10 -","- Ag4 Ga24 Rb4 S40 -","4","1","","Li, Jia-Nuo; Li, Xiao-Hui; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","New nonlinear optical-active AAgGa<sub>6</sub>S<sub>10</sub> (A = K, Rb, Cs) featuring {[AgGa<sub>6</sub>S<sub>10</sub>]<sup>-</sup>}<sub>\ιnfty </sub> framework and high laser damage threshold.","Chemical communications (Cambridge, England)","2021","57","42","5175","5178","10.1039/d1cc01275d","","","0.71073","MoKα","","0.0216","0.0207","","","0.0412","0.0416","","","","","","0.955","","","","has coordinates","265869","2021-06-05","17:26:12",""
"7128105","16.8278","0.0011","6.4318","0.0004","16.1146","0.001","90","","111.293","0.002","90","","1625.07","0.18","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ag Ga6 K S10 -","- Ag Ga6 K S10 -","- Ag4 Ga24 K4 S40 -","4","1","","Li, Jia-Nuo; Li, Xiao-Hui; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","New nonlinear optical-active AAgGa<sub>6</sub>S<sub>10</sub> (A = K, Rb, Cs) featuring {[AgGa<sub>6</sub>S<sub>10</sub>]<sup>-</sup>}<sub>\ιnfty </sub> framework and high laser damage threshold.","Chemical communications (Cambridge, England)","2021","57","42","5175","5178","10.1039/d1cc01275d","","","0.71073","MoKα","","0.0119","0.0117","","","0.0283","0.0284","","","","","","0.836","","","","has coordinates","265869","2021-06-05","17:26:12",""
"7128106","16.8381","0.0006","6.4655","0.0003","16.2525","0.0006","90","","111.281","0.001","90","","1648.71","0.11","273","2","273.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ag Cs Ga6 S10 -","- Ag Cs Ga6 S10 -","- Ag4 Cs4 Ga24 S40 -","4","1","","Li, Jia-Nuo; Li, Xiao-Hui; Yao, Wen-Dong; Liu, Wenlong; Guo, Sheng-Ping","New nonlinear optical-active AAgGa<sub>6</sub>S<sub>10</sub> (A = K, Rb, Cs) featuring {[AgGa<sub>6</sub>S<sub>10</sub>]<sup>-</sup>}<sub>\ιnfty </sub> framework and high laser damage threshold.","Chemical communications (Cambridge, England)","2021","57","42","5175","5178","10.1039/d1cc01275d","","","0.71073","MoKα","","0.016","0.0157","","","0.0372","0.0374","","","","","","0.831","","","","has coordinates","265869","2021-06-05","17:26:12",""
"7128107","7.2496","0.0001","16.9896","0.0003","16.7783","0.0003","90","","90.742","0.001","90","","2066.37","0.06","100.01","0.16","100.01","0.16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Manning, Morgan A.; Sun, Wei; Light, Mark E.; Harrowven, David C.","A photochemical ring expansion of 6- to 8-membered nitrogen heterocycles by [1,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2021","57","37","4556","4559","10.1039/d1cc00393c","","x-ray","0.71073","MoKα","","0.0511","0.0461","","","0.1074","0.111","","","","","","1.05","","","","has coordinates","265847","2021-06-05","17:18:44",""
"7128108","8.7874","0.0002","17.8436","0.0004","31.3137","0.0006","97.518","0.002","90.336","0.002","92.213","0.002","4863.82","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N O5 -","- C30 H29 N O5 -","- C240 H232 N8 O40 -","8","4","","Manning, Morgan A.; Sun, Wei; Light, Mark E.; Harrowven, David C.","A photochemical ring expansion of 6- to 8-membered nitrogen heterocycles by [1,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2021","57","37","4556","4559","10.1039/d1cc00393c","","x-ray","0.71073","MoKα","","0.1475","0.1215","","","0.2961","0.3138","","","","","","1.136","","","","has coordinates","265847","2021-06-05","17:18:44",""
"7128109","8.3579","0.0008","13.8057","0.0013","19.3031","0.0019","90","","90","","90","","2227.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C112 H96 Cl4 N4 O8 -","- C112 H96 Cl4 N4 O8 -","- C112 H96 Cl4 N4 O8 -","1","0.25","","Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua","Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4456","4459","10.1039/d0cc07957j","","","0.71076","MoKα","","0.0893","0.0503","","","0.1001","0.1124","","","","","","1.021","","","","has coordinates","265894","2021-06-05","17:31:36",""
"7128110","9.517","0.0005","16","0.0008","14.7989","0.0008","90","","97.614","0.002","90","","2233.6","0.2","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H96 Cl4 N4 O8 -","- C112 H96 Cl4 N4 O8 -","- C112 H96 Cl4 N4 O8 -","1","0.25","","Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua","Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4456","4459","10.1039/d0cc07957j","","","","","","0.131","","","","","","","","","","","","","","","has coordinates","265894","2021-06-05","17:31:36",""
"7128111","8.6247","0.0004","14.035","0.0006","19.2606","0.0009","90","","90","","90","","2331.45","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C0.89 H0.83 N0.03 O0.09 -","- C0.892308 H0.830769 N0.0307692 O0.0923077 -","- C116 H108 N4 O12 -","130","32.5","","Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua","Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4456","4459","10.1039/d0cc07957j","","","1.54178","CuKα","","0.0537","0.0461","","","0.1211","0.1285","","","","","","1.025","","","","has coordinates","265894","2021-06-05","17:31:36",""
"7128112","7.6547","0.0001","8.3977","0.0002","21.0738","0.0004","90","","90","","90","","1354.66","0.04","292.62","0.1","292.62","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 F3 N3 O -","- C14 H10 F3 N3 O -","- C56 H40 F12 N12 O4 -","4","1","","Tu, Youshao; Dong, Honglin; Wang, Huamin; Ao, Yuhui; Liu, Yu","Divergent functionalization of α,β-enones: catalyst-free access to β-azido ketones and β-amino α-diazo ketones.","Chemical communications (Cambridge, England)","2021","57","37","4524","4527","10.1039/d1cc00985k","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0831","0.0842","","","","","","1.082","","","","has coordinates","265844","2021-06-05","17:18:13",""
"7128113","4.1258","0.0002","22.7811","0.0008","11.805","0.0007","90","","93.599","0.001","90","","1107.37","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F N O3 -","- C13 H8 F N O3 -","- C52 H32 F4 N4 O12 -","4","1","","Wu, Qiuzi; Mao, Yang-Jie; Zhou, Kun; Wang, Shuang; Chen, Lei; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Pd-Catalysed direct C(sp<sup>2</sup>)-H fluorination of aromatic ketones: concise access to anacetrapib.","Chemical communications (Cambridge, England)","2021","57","37","4544","4547","10.1039/d1cc01047f","","","0.71073","MoKα","","0.0538","0.0451","","","0.1156","0.1251","","","","","","1.037","","","","has coordinates,has disorder","265843","2021-06-05","17:18:07",""
"7128114","8.206","0.0008","6.9192","0.0006","22.42","0.002","90","","90","","90","","1273","0.2","190","2","190","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H13 F O2 -","- C15 H13 F O2 -","- C60 H52 F4 O8 -","4","0.5","","Wu, Qiuzi; Mao, Yang-Jie; Zhou, Kun; Wang, Shuang; Chen, Lei; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Pd-Catalysed direct C(sp<sup>2</sup>)-H fluorination of aromatic ketones: concise access to anacetrapib.","Chemical communications (Cambridge, England)","2021","57","37","4544","4547","10.1039/d1cc01047f","","","0.71073","MoKα","","0.0616","0.0429","","","0.114","0.1351","","","","","","1.044","","","","has coordinates","265843","2021-06-05","17:18:07",""
"7128115","11.934","0.008","12.68","0.008","15.587","0.011","83.19","0.02","70.854","0.015","69.918","0.019","2093","2","173","2","172.99","","","","","","","","","3","P -1","-P 1","2","","","","- C90 H72 O12 -","- C90 H72 O12 -","- C90 H72 O12 -","1","0.5","","Zhu, Dingsheng; Fang, Shuai; Tong, Lu; Lei, Ye; Wu, Guangcheng; Chudhary, Tayba; Li, Hao","A cylinder-shaped macrocycle formed <i>via</i> Friedel-Crafts reaction.","Chemical communications (Cambridge, England)","2021","57","36","4440","4443","10.1039/d1cc00498k","","","1.34139","GaKα","","0.2391","0.1412","","","0.3542","0.4399","","","","","","1.016","","","","has coordinates","265892","2021-06-05","17:31:13",""
"7128116","10.6599","0.0007","24.9103","0.0015","11.7016","0.0008","90","","113.683","0.002","90","","2845.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 Te2 -","- C32 H26 N2 Te2 -","- C128 H104 N8 Te8 -","4","1","","Dhaka, Arun; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Supramolecular rectangles through directional chalcogen bonding.","Chemical communications (Cambridge, England)","2021","57","37","4560","4563","10.1039/d1cc00789k","","x-ray","0.71073","MoKα","","0.0912","0.0501","","","0.1025","0.118","","","","","","1.023","","","","has coordinates","265842","2021-06-05","17:17:59",""
"7128117","10.8282","0.0019","24.258","0.004","11.763","0.002","90","","115.48","0.006","90","","2789.3","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N4 Te2 -","- C30 H22 N4 Te2 -","- C120 H88 N16 Te8 -","4","1","","Dhaka, Arun; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Supramolecular rectangles through directional chalcogen bonding.","Chemical communications (Cambridge, England)","2021","57","37","4560","4563","10.1039/d1cc00789k","","x-ray","0.71073","MoKα","","0.099","0.0776","","","0.1612","0.1725","","","","","","1.24","","","","has coordinates","265842","2021-06-05","17:18:00",""
"7128118","18.3874","0.0006","10.4516","0.0003","32.5186","0.001","90","","104.148","0.002","90","","6059.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 N4 Te2 -","- C34 H30 N4 Te2 -","- C272 H240 N32 Te16 -","8","2","","Dhaka, Arun; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Supramolecular rectangles through directional chalcogen bonding.","Chemical communications (Cambridge, England)","2021","57","37","4560","4563","10.1039/d1cc00789k","","x-ray","0.71073","MoKα","","0.1225","0.0576","","","0.1163","0.1393","","","","","","1.018","","","","has coordinates","265842","2021-06-05","17:18:00",""
"7128119","10.39","0.002","11.252","0.002","16.357","0.004","98.128","0.007","91.282","0.007","96.44","0.007","1879.7","0.7","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H34 N4 Te2 -","- C44 H34 N4 Te2 -","- C88 H68 N8 Te4 -","2","1","","Dhaka, Arun; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Supramolecular rectangles through directional chalcogen bonding.","Chemical communications (Cambridge, England)","2021","57","37","4560","4563","10.1039/d1cc00789k","","x-ray","0.71073","MoKα","","0.0867","0.0463","","","0.1113","0.1355","","","","","","1.019","","","","has coordinates","265842","2021-06-05","17:18:00",""
"7128120","11.6422","0.0005","10.9274","0.0006","35.29","0.002","90","","94.919","0.005","90","","4473","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H42 N2 O2 S2 -","- C58 H42 N2 O2 S2 -","- C232 H168 N8 O8 S8 -","4","1","","Dai, Longji; Yuan, Jianjun; Wu, Cui; Chen, Zhiyuan","Pd-Catalyzed double carbopalladation/<i>syn</i>-insertion cascade reactions toward medium-size sulfoximine heterocycles.","Chemical communications (Cambridge, England)","2021","57","35","4271","4274","10.1039/d1cc00846c","","","0.71073","MoKα","","0.0653","0.0526","","","0.1259","0.1319","","","","","","1.07","","","","has coordinates","264882","2021-05-05","08:08:24",""
"7128121","5.7119","0.0003","11.2727","0.0007","14.3335","0.0008","72.075","0.002","83.916","0.002","83.801","0.002","870.39","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 F N O2 -","- C23 H16 F N O2 -","- C46 H32 F2 N2 O4 -","2","1","","Zhou, Fei; Li, Can; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Zhang, Yingjun; Wu, Wanqing","Synthesis of 2-isoxazolyl-2,3-dihydrobenzofurans <i>via</i> palladium-catalyzed cascade cyclization of alkenyl ethers.","Chemical communications (Cambridge, England)","2021","57","39","4799","4802","10.1039/d1cc00709b","","","0.71073","MoKα","","0.0863","0.0526","","","0.1046","0.1204","","","","","","1.077","","","","has coordinates,has disorder","265878","2021-06-05","17:27:31",""
"7128122","5.8481","0.0005","20.1032","0.0017","15.8952","0.0016","90","","99.844","0.003","90","","1841.2","0.3","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Zhou, Fei; Li, Can; Li, Meng; Jin, Yangbin; Jiang, Huanfeng; Zhang, Yingjun; Wu, Wanqing","Synthesis of 2-isoxazolyl-2,3-dihydrobenzofurans <i>via</i> palladium-catalyzed cascade cyclization of alkenyl ethers.","Chemical communications (Cambridge, England)","2021","57","39","4799","4802","10.1039/d1cc00709b","","","0.71073","MoKα","","0.16","0.0633","","","0.1145","0.1535","","","","","","1.057","","","","has coordinates","265878","2021-06-05","17:27:31",""
"7128123","22.788","0.005","24.181","0.005","29.737","0.006","90","","112.337","0.003","90","","15157","6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H206 Ge18 O2 Si24 Sm -","- C74 H206 Ge18 O2 Si24 Sm -","- C296 H824 Ge72 O8 Si96 Sm4 -","4","1","","Klementyeva, Svetlana V.; Schrenk, Claudio; Zhang, Minghui; Khusniyarov, Marat M.; Schnepf, Andreas","(thf)<sub>2</sub>Ln(Ge<sub>9</sub>{Si(SiMe<sub>3</sub>)<sub>3</sub>}<sub>3</sub>)<sub>2</sub> (Ln = Eu, Sm): the first coordination of metalloid germanium clusters to lanthanides.","Chemical communications (Cambridge, England)","2021","57","38","4730","4733","10.1039/d1cc01151k","","x-ray","0.71073","MoKα","","0.1029","0.0488","","","0.1037","0.1262","","","","","","1.018","","","","has coordinates,has disorder","265903","2021-06-05","17:33:44",""
"7128124","22.778","0.003","24.085","0.003","29.746","0.004","90","","112.419","0.002","90","","15086","3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H178 Eu Ge18 O2 Si24 -","- C62 H178 Eu Ge18 O2 Si24 -","- C248 H712 Eu4 Ge72 O8 Si96 -","4","1","","Klementyeva, Svetlana V.; Schrenk, Claudio; Zhang, Minghui; Khusniyarov, Marat M.; Schnepf, Andreas","(thf)<sub>2</sub>Ln(Ge<sub>9</sub>{Si(SiMe<sub>3</sub>)<sub>3</sub>}<sub>3</sub>)<sub>2</sub> (Ln = Eu, Sm): the first coordination of metalloid germanium clusters to lanthanides.","Chemical communications (Cambridge, England)","2021","57","38","4730","4733","10.1039/d1cc01151k","","x-ray","0.71073","MoKα","","0.1435","0.0602","","","0.1345","0.1789","","","","","","1.017","","","","has coordinates","265903","2021-06-05","17:33:45",""
"7128125","21.0176","0.0005","11.6607","0.0003","11.4688","0.0002","90","","90","","90","","2810.77","0.11","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H23 Cl2 N O P2 Pd -","- C31 H23 Cl2 N O P2 Pd -","- C124 H92 Cl8 N4 O4 P8 Pd4 -","4","1","","Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","Novel approach to benzo-fused 1,2-azaphospholene involving a Pd(II)-assisted tandem P-C bond cleavage and P-N bond formation reaction.","Chemical communications (Cambridge, England)","2021","57","39","4835","4838","10.1039/d1cc01591e","","","0.71073","MoKα","","0.0312","0.0292","","","0.064","0.0657","","","","","","1.042","","","","has coordinates","265874","2021-06-05","17:26:58",""
"7128126","12.7967","0.0004","14.2667","0.0004","14.5382","0.0004","63.884","0.002","64.063","0.003","63.623","0.003","2036.34","0.12","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C86 H70 Cl2 F12 N2 O2 P4 Pd2 Sb2 -","- C86 H70 Cl2 F12 N2 O2 P4 Pd2 Sb2 -","- C86 H70 Cl2 F12 N2 O2 P4 Pd2 Sb2 -","1","0.5","","Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","Novel approach to benzo-fused 1,2-azaphospholene involving a Pd(II)-assisted tandem P-C bond cleavage and P-N bond formation reaction.","Chemical communications (Cambridge, England)","2021","57","39","4835","4838","10.1039/d1cc01591e","","","0.71073","MoKα","","0.0627","0.0555","","","0.1422","0.1494","","","","","","1.079","","","","has coordinates,has disorder","265874","2021-06-05","17:26:58",""
"7128127","10.7527","0.0004","12.1363","0.0005","15.65","0.0006","96.247","0.003","94.277","0.003","106.011","0.003","1939.69","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 Cl2 N O P2 Pd2 -","- C43 H39 Cl2 N O P2 Pd2 -","- C86 H78 Cl4 N2 O2 P4 Pd4 -","2","1","","Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","Novel approach to benzo-fused 1,2-azaphospholene involving a Pd(II)-assisted tandem P-C bond cleavage and P-N bond formation reaction.","Chemical communications (Cambridge, England)","2021","57","39","4835","4838","10.1039/d1cc01591e","","","0.71073","MoKα","","0.0849","0.0575","","","0.1229","0.1449","","","","","","1.041","","","","has coordinates","265874","2021-06-05","17:26:58",""
"7128128","9.6861","0.0002","10.1225","0.0002","17.843","0.0004","91.809","0.002","95.505","0.002","115.634","0.002","1564.79","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H28 Cl N O P2 Pd -","- C37 H28 Cl N O P2 Pd -","- C74 H56 Cl2 N2 O2 P4 Pd2 -","2","1","","Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","Novel approach to benzo-fused 1,2-azaphospholene involving a Pd(II)-assisted tandem P-C bond cleavage and P-N bond formation reaction.","Chemical communications (Cambridge, England)","2021","57","39","4835","4838","10.1039/d1cc01591e","","x-ray","0.71073","MoKα","","0.0408","0.0346","","","0.0765","0.0799","","","","","","1.039","","","","has coordinates","265874","2021-06-05","17:26:58",""
"7128129","14.7277","0.0005","12.293","0.0004","21.1373","0.0007","90","","90","","90","","3826.9","0.2","170","2","170.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C192 H152 N24 O24 -","8","1","","Xiao, Xiao; Shao, Bingxuan; Li, Jingyi; Yang, Zehui; Lu, Yin-Jie; Ling, Fei; Zhong, Weihui","Enantioselective synthesis of functionalized 1,4-dihydropyrazolo-[4',3':5,6]pyrano[2,3-<i>b</i>]quinolines through ferrocenyl-phosphine-catalyzed annulation of modified MBH carbonates and pyrazolones.","Chemical communications (Cambridge, England)","2021","57","38","4690","4693","10.1039/d1cc00989c","","","1.54178","CuKα","","0.039","0.038","","","0.0979","0.0988","","","","","","1.082","","","","has coordinates","265907","2021-06-05","17:34:26",""
"7128130","11.9239","0.0004","5.6798","0.0002","14.6714","0.0006","90","","110.215","0.004","90","","932.42","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 F O -","- C25 H21 F O -","- C50 H42 F2 O2 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed <i>anti</i>-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.0347","0.0328","","","0.082","0.0841","","","","","","1.055","","","","has coordinates","265888","2021-06-05","17:29:59",""
"7128131","8.4023","0.0002","11.0606","0.0002","9.9012","0.0002","90","","99.589","0.002","90","","907.31","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H19 F O S -","- C23 H19 F O S -","- C46 H38 F2 O2 S2 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed <i>anti</i>-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.0257","0.0252","","","0.0667","0.0672","","","","","","1.021","","","","has coordinates,has disorder","265888","2021-06-05","17:29:59",""
"7128132","12.2119","0.0001","5.6331","0.0001","14.2712","0.0001","90","","106.598","0.001","90","","940.82","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 F O -","- C23 H25 F O -","- C46 H50 F2 O2 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed <i>anti</i>-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.029","0.0287","","","0.0719","0.0722","","","","","","1.05","","","","has coordinates,has disorder","265888","2021-06-05","17:29:59",""
"7128133","7.4283","0.0001","6.9661","0.0001","16.5307","0.0002","90","","93.4","0.001","90","","853.9","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H18 O S2 -","- C21 H18 O S2 -","- C42 H36 O2 S4 -","2","1","","Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai","Enantioselective nickel-catalyzed <i>anti</i>-arylmetallative cyclizations onto acyclic electron-deficient alkenes.","Chemical communications (Cambridge, England)","2021","57","36","4436","4439","10.1039/d1cc01166a","","x-ray","1.54184","CuKα","","0.0235","0.0233","","","0.0635","0.0636","","","","","","1.04","","","","has coordinates,has disorder","265888","2021-06-05","17:29:59",""
"7128134","9.4068","0.0005","21.5669","0.0009","9.8567","0.0006","90","","94.988","0.005","90","","1992.11","0.18","293.5","0.1","293.5","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","1","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","0.71073","MoKα","","0.094","0.0607","","","0.1341","0.1536","","","","","","1.026","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128135","11.8048","0.0009","15.1785","0.001","16.7524","0.0012","89.985","0.006","87.821","0.006","80.497","0.006","2958.3","0.4","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 Cl N4 O5 -","- C19 H19 Cl N4 O5 -","- C114 H114 Cl6 N24 O30 -","6","3","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","0.71073","MoKα","","0.0985","0.0752","","","0.1823","0.2015","","","","","","1.051","","","","has coordinates,has disorder","265846","2021-06-05","17:18:35",""
"7128136","14.9392","0.0005","15.2205","0.0004","19.081","0.0005","90","","90","","90","","4338.7","0.2","295.28","0.11","295.28","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl2 N3 O5 -","- C20 H19 Cl2 N3 O5 -","- C160 H152 Cl16 N24 O40 -","8","2","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","1.54184","CuKα","","0.0861","0.0769","","","0.2086","0.2268","","","","","","1.029","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128137","9.5126","0.0002","21.7936","0.0004","9.7318","0.0003","90","","95.48","0.002","90","","2008.32","0.08","295.75","0.1","295.75","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 F N3 O5 -","- C20 H20 F N3 O5 -","- C80 H80 F4 N12 O20 -","4","1","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","1.54184","CuKα","","0.0662","0.057","","","0.1406","0.1492","","","","","","1.105","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128138","9.5779","0.0005","11.3128","0.0007","11.849","0.0008","61.499","0.007","78.529","0.005","86.047","0.005","1105.24","0.14","290","4","290","4","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C44 H50 N6 O10 -","2","1","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","1.54184","CuKα","","0.0668","0.0619","","","0.1864","0.1923","","","","","","1.048","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128139","15.756","0.004","14.59","0.003","9.628","0.002","90","","103.67","0.02","90","","2150.6","0.9","149.98","0.1","149.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cl N2 O5 -","- C22 H23 Cl N2 O5 -","- C88 H92 Cl4 N8 O20 -","4","1","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","0.71073","MoKα","","0.1496","0.0789","","","0.1861","0.2389","","","","","","1.018","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128140","8.3393","0.0002","21.3081","0.0006","11.1096","0.0004","90","","100.128","0.003","90","","1943.35","0.1","292.8","0.4","292.8","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","1","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","1.54184","CuKα","","0.0661","0.0557","","","0.133","0.1388","","","","","","1.055","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128141","19.544","0.004","18.626","0.004","26.122","0.005","90","","90","","90","","9509","3","293","2","293","2","","","","","","","","7","P 2 2 21","P 2c 2","17","","","","- C150 H204 Au17 B Cd2 P4 S12 -","- C150 H198 Au17 B Cd2 P4 S12 -","- C300 H396 Au34 B2 Cd4 P8 S24 -","2","0.5","","Li, Tianrong; Li, Qinzhen; Yang, Sha; Xu, Liyun; Chai, Jinsong; Li, Peng; Zhu, Manzhou","Surface engineering of linearly fused Au<sub>13</sub> units using diphosphine and Cd doping.","Chemical communications (Cambridge, England)","2021","57","38","4682","4685","10.1039/d1cc00577d","","","0.71073","MoKα","","0.0948","0.0734","","","0.1965","0.2182","","","","","","0.968","","","","has coordinates,has disorder","265902","2021-06-05","17:33:27",""
"7128142","27.2386","0.0012","44.912","0.0015","25.7433","0.0013","90","","90","","90","","31493","2","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C238 H277 Au29 Cd2 Fe2 P4 S17 -","- C238 H277 Au29 Cd2 Fe2 P4 S17 -","- C952 H1108 Au116 Cd8 Fe8 P16 S68 -","4","0.5","","Li, Tianrong; Li, Qinzhen; Yang, Sha; Xu, Liyun; Chai, Jinsong; Li, Peng; Zhu, Manzhou","Surface engineering of linearly fused Au<sub>13</sub> units using diphosphine and Cd doping.","Chemical communications (Cambridge, England)","2021","57","38","4682","4685","10.1039/d1cc00577d","","","1.54186","CuKα","","0.0746","0.0582","","","0.1431","0.15","","","","","","1.051","","","","has coordinates,has disorder","265902","2021-06-05","17:33:27",""
"7128143","8.5243","0.0002","14.7793","0.0004","15.8032","0.0004","90","","90","","90","","1990.94","0.09","145","2","145","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F O5 -","- C23 H21 F O5 -","- C92 H84 F4 O20 -","4","1","","Lu, Mengxue; Xiong, Zongli; Zhou, Yuqiao; Wang, Xin; Li, Xiaoyi; Duan, Jingxiang; Yao, Weijun; Xia, Yi; Wang, Zhen","Assembly of fluorinated chromanones <i>via</i> enantioselective tandem reaction.","Chemical communications (Cambridge, England)","2021","57","38","4722","4725","10.1039/d1cc01187a","","","1.54178","CuKα","","0.0354","0.0331","","","0.0843","0.0874","","","","","","1.089","","","","has coordinates","265901","2021-06-05","17:33:05",""
"7128144","15.0201","0.0006","9.3245","0.0004","25.3352","0.0011","90","","104.918","0.001","90","","3428.7","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 F4 O P -","- C20 H15 F4 O P -","- C160 H120 F32 O8 P8 -","8","2","","Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","All-carbon phosphoranes <i>via</i> difluorocarbene trapping.","Chemical communications (Cambridge, England)","2021","57","39","4823","4826","10.1039/d1cc01075a","","x-ray","0.71073","MoKα","","0.095","0.0552","","","0.1084","0.1216","","","","","","1.099","","","","has coordinates,has disorder","265877","2021-06-05","17:27:25",""
"7128145","10.1354","0.0006","12.5827","0.0008","14.7085","0.0009","89.257","0.002","74.417","0.002","75.991","0.002","1750.37","0.19","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 F2 O2 P -","- C20 H15 F2 O2 P -","- C80 H60 F8 O8 P4 -","4","2","","Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","All-carbon phosphoranes <i>via</i> difluorocarbene trapping.","Chemical communications (Cambridge, England)","2021","57","39","4823","4826","10.1039/d1cc01075a","","","0.71073","MoKα","","0.0672","0.0511","","","0.1332","0.1483","","","","","","1.013","","","","has coordinates","265877","2021-06-05","17:27:25",""
"7128146","9.0837","0.001","22.765","0.002","9.4866","0.0011","90","","117.427","0.003","90","","1741.2","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F4 P S -","- C20 H15 F4 P S -","- C80 H60 F16 P4 S4 -","4","1","","Smirnov, Vladimir O.; Volodin, Alexander D.; Korlyukov, Alexander A.; Dilman, Alexander D.","All-carbon phosphoranes <i>via</i> difluorocarbene trapping.","Chemical communications (Cambridge, England)","2021","57","39","4823","4826","10.1039/d1cc01075a","","","0.71073","MoKα","","0.0795","0.0491","","","0.1043","0.1154","","","","","","1.033","","","","has coordinates","265877","2021-06-05","17:27:25",""
"7128147","6.6884","0.001","13.82","0.002","8.53","0.0013","90","","92.21","0.002","90","","787.9","0.2","273","2","273.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C30 H32 Br2 N2 O8 -","2","1","","Huang, Jian; Kong, Han-Han; Li, Si-Jia; Zhang, Rui-Jin; Qian, Hao-Dong; Li, Dan-Ran; He, Jin-Yu; Zheng, Yi-Nuo; Xu, Hao","Asymmetric copper-catalyzed propargylic amination with amine hydrochloride salts.","Chemical communications (Cambridge, England)","2021","57","38","4674","4677","10.1039/d1cc00663k","","","1.34139","GaKα","","0.0639","0.0638","","","0.1662","0.1663","","","","","","1.202","","","","has coordinates,has disorder","265905","2021-06-05","17:34:12",""
"7128148","43.7163","0.0005","43.7163","0.0005","43.7163","0.0005","90","","90","","90","","83546.9","1.7","175","2","175","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C24 H96 Cu6 N24 Nb68 O204 -","- C24 H96 Cu6 N24 Nb68 O204 -","- C192 H768 Cu48 N192 Nb544 O1632 -","8","0.166667","","Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb<sub>68</sub>O<sub>200</sub>} cages.","Chemical communications (Cambridge, England)","2021","57","38","4702","4705","10.1039/d1cc00388g","","","0.71073","MoKα","","0.0959","0.0721","","","0.1601","0.1719","","","","","","1.059","","","","has coordinates","265904","2021-06-05","17:34:02",""
"7128149","39.726","0.003","29.335","0.002","20.427","0.0014","90","","90.69","0.002","90","","23803","3","175","2","175","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C40 H160 Cu10 N40 Nb68 O208 -","- C40 H160 Cu10 N40 Nb68 O208 -","- C80 H320 Cu20 N80 Nb136 O416 -","2","0.25","","Lin, Yu-Diao; Zhu, Zeng-Kui; Ge, Rui; Yu, Hao; Li, Zhong; Sun, Cai; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian","Proton conductive polyoxoniobate frameworks constructed from nanoscale {Nb<sub>68</sub>O<sub>200</sub>} cages.","Chemical communications (Cambridge, England)","2021","57","38","4702","4705","10.1039/d1cc00388g","","","0.71073","MoKα","","0.0758","0.0596","","","0.1695","0.1778","","","","","","1.003","","","","has coordinates","265904","2021-06-05","17:34:03",""
"7128150","9.2183","0.0006","9.6315","0.0006","11.5543","0.0008","67.512","0.002","88.551","0.002","89.108","0.002","947.53","0.11","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 Cl7 N -","- C10 H24 Cl7 N -","- C20 H48 Cl14 N2 -","2","1","","Pröhm, Patrick; Schwarze, Nico; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Rupf, Susanne M.; Riedel, Sebastian","Non-classical polyinterhalides of chlorine monofluoride: experimental and theoretical characterization of [F(ClF)<sub>3</sub>]<sup/>.","Chemical communications (Cambridge, England)","2021","57","39","4843","4846","10.1039/d1cc01088c","","","0.71073","MoKα","","0.0325","0.0301","","","0.0763","0.0778","","","","","","1.132","","","","has coordinates","265872","2021-06-05","17:26:39",""
"7128151","11.8381","0.0002","10.0385","0.0002","9.3211","0.0002","90","","90","","90","","1107.69","0.04","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H12 Cl3 F4 N -","- C4 H12 Cl3 F4 N -","- C16 H48 Cl12 F16 N4 -","4","1","","Pröhm, Patrick; Schwarze, Nico; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Rupf, Susanne M.; Riedel, Sebastian","Non-classical polyinterhalides of chlorine monofluoride: experimental and theoretical characterization of [F(ClF)<sub>3</sub>]<sup/>.","Chemical communications (Cambridge, England)","2021","57","39","4843","4846","10.1039/d1cc01088c","","","1.54178","CuKα","","0.0204","0.0199","","","0.0517","0.0523","","","","","","1.069","","","","has coordinates","265872","2021-06-05","17:26:40",""
"7128152","11.6354","0.0009","11.6529","0.0009","11.9411","0.0009","87.746","0.002","83.905","0.001","89.123","0.001","1608.5","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","[Zn(hydrotris(5,3-Methylphenylpyrazolyl)borate)(5-fluoropicolinic acid)]","","- C36 H31 B F N7 O2 Zn -","- C36 H31 B F N7 O2 Zn -","- C72 H62 B2 F2 N14 O4 Zn2 -","2","1","","Prosser, Kathleen E.; Kohlbrand, Alysia J.; Seo, Hyeonglim; Kalaj, Mark; Cohen, Seth M.","<sup>19</sup>F-Tagged metal binding pharmacophores for NMR screening of metalloenzymes.","Chemical communications (Cambridge, England)","2021","57","40","4934","4937","10.1039/d1cc01231b","","","0.71073","MoKα","","0.0477","0.0354","","","0.0777","0.083","","","","","","1.042","","","","has coordinates","265882","2021-06-05","17:28:28",""
"7128153","12.5509","0.0014","12.1199","0.0012","23.821","0.003","90","","96.616","0.004","90","","3599.4","0.7","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B N7 O2 S Zn -","- C40 H38 B N7 O2 S Zn -","- C160 H152 B4 N28 O8 S4 Zn4 -","4","1","","Prosser, Kathleen E.; Kohlbrand, Alysia J.; Seo, Hyeonglim; Kalaj, Mark; Cohen, Seth M.","<sup>19</sup>F-Tagged metal binding pharmacophores for NMR screening of metalloenzymes.","Chemical communications (Cambridge, England)","2021","57","40","4934","4937","10.1039/d1cc01231b","","","0.71073","MoKα","","0.0866","0.0707","","","0.1548","0.163","","","","","","1.129","","","","has coordinates","265882","2021-06-05","17:28:28",""
"7128154","33.345","0.004","33.345","0.004","17.251","0.003","90","","90","","120","","16611","4","100","","100","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C37 H33 B F3 N7 O2 S Zn -","- C37 H33 B F3 N7 O2 S Zn -","- C666 H594 B18 F54 N126 O36 S18 Zn18 -","18","1","","Prosser, Kathleen E.; Kohlbrand, Alysia J.; Seo, Hyeonglim; Kalaj, Mark; Cohen, Seth M.","<sup>19</sup>F-Tagged metal binding pharmacophores for NMR screening of metalloenzymes.","Chemical communications (Cambridge, England)","2021","57","40","4934","4937","10.1039/d1cc01231b","","","0.71073","MoKα","","0.0585","0.0392","","","0.0906","0.0995","","","","","","1.03","","","","has coordinates","265882","2021-06-05","17:28:28",""
"7128155","12.6333","0.0012","5.571","0.0005","20.8717","0.0018","90","","101.874","0.003","90","","1437.5","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Hu, Yan; Nan, Jiang; Gong, Xue; Zhang, Jiawen; Yin, Jiacheng; Ma, Yangmin","Zinc-catalyzed C-H alkenylation of quinoline <i>N</i>-oxides with ynones: a new strategy towards quinoline-enol scaffolds.","Chemical communications (Cambridge, England)","2021","57","40","4930","4933","10.1039/d1cc00245g","","","0.71073","MoKα","","0.1368","0.0649","","","0.1637","0.2311","","","","","","1.03","","","","has coordinates","265885","2021-06-05","17:29:10",""
"7128156","12.837","0.0003","13.5455","0.0002","19.9735","0.0003","77.7928","0.0013","73.9712","0.0016","70.0209","0.0017","3110.67","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H64 N12 O2 -","- C72 H64 N12 O2 -","- C144 H128 N24 O4 -","2","1","","Li, Aimin; Xiong, Shenglun; Zhou, Wei; Zhai, Huijuan; Liu, Yuanchu; He, Qing","Superphane: a new lantern-like receptor for encapsulation of a water dimer.","Chemical communications (Cambridge, England)","2021","57","37","4496","4499","10.1039/d1cc01158h","","","1.54184","CuKα","","0.108","0.0888","","","0.2194","0.2336","","","","","","1.042","","","","has coordinates,has disorder","265845","2021-06-05","17:18:22",""
"7128157","11.6468","0.0005","12.4428","0.0006","14.4199","0.0007","105.247","0.004","94.682","0.004","92.488","0.004","2004.85","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","N,N'-Bis(4-(2,2-dimethylethyl)phenyl)sulfamide","","- C20 H28 N2 O2 S -","- C20 H28 N2 O2 S -","- C80 H112 N8 O8 S4 -","4","2","","Blum, Stephan P.; Schäffer, Lukas; Schollmeyer, Dieter; Waldvogel, Siegfried R.","Electrochemical synthesis of sulfamides.","Chemical communications (Cambridge, England)","2021","57","39","4775","4778","10.1039/d1cc01428e","","","0.71073","MoKα","","0.0663","0.0507","","","0.1169","0.1279","","","","","","1.056","","","","has coordinates,has disorder","265873","2021-06-05","17:26:46",""
"7128158","10.468","0.0004","11.2779","0.0004","13.2284","0.0005","66.285","0.001","69.186","0.001","78.163","0.001","1332.98","0.09","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 P S -","- C34 H33 P S -","- C68 H66 P2 S2 -","2","1","","Yang, Wenbang; Wang, Wenqing; Zhang, Leran; Zhang, Li; Ruan, Huapeng; Feng, Zhongtao; Fang, Yong; Wang, Xinping","Persistent 2<i>c</i>-3<i>e</i> σ-bonded heteronuclear radical cations centered on S/Se and P/As atoms.","Chemical communications (Cambridge, England)","2021","57","41","5067","5070","10.1039/d1cc01117k","","","0.71073","MoKα","","0.0433","0.0383","","","0.0974","0.1017","","","","","","1.045","","","","has coordinates","265855","2021-06-05","17:21:55",""
"7128159","10.457","0.0006","11.3972","0.0007","13.2662","0.0008","66.746","0.002","68.994","0.001","78.78","0.002","1353.5","0.14","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 As S -","- C34 H33 As S -","- C68 H66 As2 S2 -","2","1","","Yang, Wenbang; Wang, Wenqing; Zhang, Leran; Zhang, Li; Ruan, Huapeng; Feng, Zhongtao; Fang, Yong; Wang, Xinping","Persistent 2<i>c</i>-3<i>e</i> σ-bonded heteronuclear radical cations centered on S/Se and P/As atoms.","Chemical communications (Cambridge, England)","2021","57","41","5067","5070","10.1039/d1cc01117k","","","0.71073","MoKα","","0.0256","0.0234","","","0.0618","0.063","","","","","","1.059","","","","has coordinates","265855","2021-06-05","17:21:58",""
"7128160","10.4597","0.0005","11.332","0.0005","13.2801","0.0006","66.289","0.001","69.731","0.001","78.792","0.001","1349.18","0.11","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 P Se -","- C34 H33 P Se -","- C68 H66 P2 Se2 -","2","1","","Yang, Wenbang; Wang, Wenqing; Zhang, Leran; Zhang, Li; Ruan, Huapeng; Feng, Zhongtao; Fang, Yong; Wang, Xinping","Persistent 2<i>c</i>-3<i>e</i> σ-bonded heteronuclear radical cations centered on S/Se and P/As atoms.","Chemical communications (Cambridge, England)","2021","57","41","5067","5070","10.1039/d1cc01117k","","","1.34139","GaKα","","0.0332","0.032","","","0.0824","0.084","","","","","","1.038","","","","has coordinates","265855","2021-06-05","17:21:58",""
"7128161","10.4307","0.0004","11.4296","0.0004","13.3226","0.0004","66.958","0.001","69.688","0.001","79.648","0.001","1368.93","0.08","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 As Se -","- C34 H33 As Se -","- C68 H66 As2 Se2 -","2","1","","Yang, Wenbang; Wang, Wenqing; Zhang, Leran; Zhang, Li; Ruan, Huapeng; Feng, Zhongtao; Fang, Yong; Wang, Xinping","Persistent 2<i>c</i>-3<i>e</i> σ-bonded heteronuclear radical cations centered on S/Se and P/As atoms.","Chemical communications (Cambridge, England)","2021","57","41","5067","5070","10.1039/d1cc01117k","","","1.34139","GaKα","","0.0274","0.0258","","","0.07","0.0713","","","","","","1.041","","","","has coordinates","265855","2021-06-05","17:21:58",""
"7128162","3.8373","0.001","20.9685","0.001","9.8459","0.001","90","","94.765","0.01","90","","789.5","0.2","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N O2 -","- C9 H6 N O2 -","- C36 H24 N4 O8 -","4","1","","Tse, Yuen Cheong; Docker, Andrew; Zhang, Zongyao; Beer, Paul D.","Lithium halide ion-pair recognition with halogen bonding and chalcogen bonding heteroditopic macrocycles.","Chemical communications (Cambridge, England)","2021","57","40","4950","4953","10.1039/d1cc01287h","","","1.5418","CuKα","","0.0459","0.0405","","0.0755","0.0558","0.0558","","","","","","1.0175","","","","has coordinates","265887","2021-06-05","17:29:29",""
"7128163","25.3739","0.0002","27.4143","0.0002","14.3651","0.0001","90","","105.199","0.001","90","","9642.95","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H42 I2 N8 O6.2 -","- C45 H42 I2 N8 O6.2 -","- C360 H336 I16 N64 O49.6 -","8","1","","Tse, Yuen Cheong; Docker, Andrew; Zhang, Zongyao; Beer, Paul D.","Lithium halide ion-pair recognition with halogen bonding and chalcogen bonding heteroditopic macrocycles.","Chemical communications (Cambridge, England)","2021","57","40","4950","4953","10.1039/d1cc01287h","","","1.54178","CuKα","","0.083","0.081","","","0.2274","0.2347","","","","","","1.099","","","","has coordinates","265887","2021-06-05","17:29:30",""
"7128164","16.904","0.003","22.714","0.005","29.166","0.006","78.57","0.03","73.36","0.03","69.54","0.03","9993","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C189 H129 F48 Fe4 N27 O3 P8 -","- C181.5 H111.5 F36 Fe4 N24.5 O0.5 P6 -","- C363 H223 F72 Fe8 N49 O P12 -","2","1","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","Synchrotron","","0.0768","0.0662","","","0.1963","0.2084","","","","","","1.04","","","","has coordinates,has disorder","265883","2021-06-05","17:28:51",""
"7128165","21.2196","0.0008","21.2196","0.0008","30.9753","0.0011","90","","90","","120","","12078.7","0.8","100","0.3","100","0.3","","","","","","","","7","P -3","-P 3","147","","","","- C219 H238.5 F48 Fe4 N37.5 O9 P8 -","- C177 H148.5 F42 Fe4 N25.5 O4.5 P7 -","- C354 H297 F84 Fe8 N51 O9 P14 -","2","0.333333","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","x-ray","0.71073","MoKα","","0.1642","0.13","","","0.3195","0.3394","","","","","","1.08","","","","has coordinates,has disorder","265883","2021-06-05","17:28:52",""
"7128166","11.112","0.002","12.5","0.003","15.599","0.003","90","","90","","90","","2166.7","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H18 N4 -","- C30 H18 N4 -","- C120 H72 N16 -","4","0.5","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","Synchrotron","","0.0562","0.0467","","","0.1232","0.1302","","","","","","1.078","","","","has coordinates","265883","2021-06-05","17:28:52",""
"7128167","13.4333","0.0013","13.4333","0.0013","27.74","0.006","90","","90","","120","","4335.1","1.1","100","2","100","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C90 H54 F24 Fe2 N12 P4 -","- C90 H54 Fe2 N12 -","- C180 H108 Fe4 N24 -","2","0.166667","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","synchrotron","","0.0587","0.0552","","","0.1847","0.188","","","","","","1.181","","","","has coordinates","265883","2021-06-05","17:28:52",""
"7128168","10.673","0.002","10.211","0.002","15.278","0.003","90","","110.38","0.03","90","","1560.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 B2 O4 Si2 -","- C28 H44 B2 O4 Si2 -","- C56 H88 B4 O8 Si4 -","2","0.5","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","synchrotron","","0.0845","0.0606","","","0.1652","0.186","","","","","","1.146","","","","has coordinates","265883","2021-06-05","17:28:52",""
"7128169","7.356","0.0015","15.326","0.003","14.709","0.003","90","","99.74","0.03","90","","1634.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 Si2 -","- C36 H34 N4 Si2 -","- C72 H68 N8 Si4 -","2","0.5","","Siddique, Rashid G.; Arachchige, Kasun S. A.; Al-Fayaad, Hydar A; Brock, Aidan J.; Micallef, Aaron S.; Luis, Ena T.; Thoburn, John D.; McMurtrie, John C.; Clegg, Jack K.","The kinetics and mechanism of interconversion within a system of [Fe<sub>2</sub>L<sub>3</sub>]<sup>4+</sup> helicates and [Fe<sub>4</sub>L<sub>6</sub>]<sup>8+</sup> cages.","Chemical communications (Cambridge, England)","2021","57","40","4918","4921","10.1039/d1cc01583d","","","0.7108","synchrotron","","0.0555","0.0506","","","0.1409","0.1461","","","","","","1.063","","","","has coordinates","265883","2021-06-05","17:28:52",""
"7128170","9.5547","0.0002","10.0105","0.0003","24.6215","0.0005","90","","90","","90","","2354.98","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br N O2 -","- C27 H22 Br N O2 -","- C108 H88 Br4 N4 O8 -","4","1","","Yuan, Shu-Pei; Zhang, Xia-Yan; Jia, Yun-Qing; Wang, Zhen-Hua; Zhao, Jian-Qiang; You, Yong; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric coupling of vinylogous species <i>via</i> deconjugated butenolide addition to vinylogous imines <i>in situ</i> generated from arylsulfonyl indoles.","Chemical communications (Cambridge, England)","2021","57","40","4938","4941","10.1039/d1cc00777g","","","1.54184","CuKα","","0.0554","0.0431","","","0.0954","0.1053","","","","","","1.035","","","","has coordinates,has disorder","265880","2021-06-05","17:28:04",""
"7128171","10.2533","0.001","10.7469","0.001","11.736","0.0009","93.016","0.007","99.314","0.007","116.142","0.01","1134.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C54 H46 N2 O8 -","2","1","","Yuan, Shu-Pei; Zhang, Xia-Yan; Jia, Yun-Qing; Wang, Zhen-Hua; Zhao, Jian-Qiang; You, Yong; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric coupling of vinylogous species <i>via</i> deconjugated butenolide addition to vinylogous imines <i>in situ</i> generated from arylsulfonyl indoles.","Chemical communications (Cambridge, England)","2021","57","40","4938","4941","10.1039/d1cc00777g","","x-ray","1.54184","CuKα","","0.0874","0.0525","","","0.1223","0.1505","","","","","","1.044","","","","has coordinates","265880","2021-06-05","17:28:05",""
"7128172","11.9988","0.0003","19.1984","0.0005","7.6672","0.0002","90","","106.467","0.002","90","","1693.76","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl 10-phenylacenaphtho[1,2-c]pyridine-7-carboxylate","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Dong, Penghui; Majeed, Kashif; Wang, Lingna; Guo, Zijian; Zhou, Fengtao; Zhang, Qiuyu","Transition metal-free approach to azafluoranthene scaffolds by aldol condensation/[1+2+3] annulation tandem reaction of isocyanoacetates with 8-(alkynyl)-1-naphthaldehydes.","Chemical communications (Cambridge, England)","2021","57","39","4855","4858","10.1039/d1cc01015h","","","1.54178","CuKα","","0.0586","0.0403","","","0.1056","0.1241","","","","","","1.095","","","","has coordinates","265879","2021-06-05","17:27:38",""
"7128173","17.9842","0.0007","18.0922","0.0007","15.4453","0.0006","90","","90","","90","","5025.5","0.3","100","2","100","2","","","","","","","","8","I b a 2","I 2 -2c","45","","","","- C44 H33 Cl2 F3 Fe2 O9 P2 S2 -","- C44 H33 Cl2 F3 Fe2 O9 P2 S2 -","- C176 H132 Cl8 F12 Fe8 O36 P8 S8 -","4","0.5","","Zhang, Fanjun; Woods, Toby J.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","CO substitution by PPh<sub>3</sub> in Fe<sub>2</sub>S<sub>2</sub>(CO)<sub>6</sub> proceeds via a novel Fe<sub>2</sub>S intermediate.","Chemical communications (Cambridge, England)","2021","57","41","5079","5081","10.1039/d1cc00956g","","","0.71073","MoKα","","0.039","0.0387","","","0.1095","0.1098","","","","","","1.103","","","","has coordinates,has disorder","265849","2021-06-05","17:19:14",""
"7128174","19.9398","0.0005","10.634","0.0002","20.6693","0.0005","90","","108.761","0.0008","90","","4149.86","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Fe2 O7 P2 S -","- C46 H38 Fe2 O7 P2 S -","- C184 H152 Fe8 O28 P8 S4 -","4","1","","Zhang, Fanjun; Woods, Toby J.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","CO substitution by PPh<sub>3</sub> in Fe<sub>2</sub>S<sub>2</sub>(CO)<sub>6</sub> proceeds via a novel Fe<sub>2</sub>S intermediate.","Chemical communications (Cambridge, England)","2021","57","41","5079","5081","10.1039/d1cc00956g","","","0.71073","MoKα","","0.0687","0.0567","","","0.146","0.1537","","","","","","1.078","","","","has coordinates,has disorder","265849","2021-06-05","17:19:16",""
"7128175","10.9358","0.0004","11.7041","0.0004","18.2029","0.0006","92.9457","0.0005","101.992","0.0005","107.132","0.0006","2162.02","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H33 F3 Fe2 O9 P2 S2 -","- C44 H33 F3 Fe2 O9 P2 S2 -","- C88 H66 F6 Fe4 O18 P4 S4 -","2","1","","Zhang, Fanjun; Woods, Toby J.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","CO substitution by PPh<sub>3</sub> in Fe<sub>2</sub>S<sub>2</sub>(CO)<sub>6</sub> proceeds via a novel Fe<sub>2</sub>S intermediate.","Chemical communications (Cambridge, England)","2021","57","41","5079","5081","10.1039/d1cc00956g","","","0.71073","MoKα","","0.0226","0.0214","","","0.0542","0.0551","","","","","","1.052","","","","has coordinates","265849","2021-06-05","17:19:16",""
"7128176","12.091","0.0002","5.3579","0.0001","12.424","0.0001","90","","101.87","0.001","90","","787.65","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 I -","- C6 H5 Cl2 I -","- C24 H20 Cl8 I4 -","4","1","","Poynder, Tiffany B.; Chamorro Orué, Analia I; Tania, ?; Sharp-Bucknall, Lachlan; Flynn, Matthew T.; Wilson, David J. D.; Athukorala Arachchige, Kasun S.; Clegg, Jack K.; Dutton, Jason L.","On the activation of PhICl<sub>2</sub> with pyridine.","Chemical communications (Cambridge, England)","2021","57","40","4970","4973","10.1039/d1cc01567b","","x-ray","0.56087","AgKα","","0.0208","0.0162","","","0.0392","0.0402","","","","","","1.05","","","","has coordinates","265881","2021-06-05","17:28:15",""
"7128177","8.9394","0.0003","15.5397","0.0004","9.5747","0.0003","90","","107.339","0.004","90","","1269.63","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl2 I N -","- C11 H10 Cl2 I N -","- C44 H40 Cl8 I4 N4 -","4","1","","Poynder, Tiffany B.; Chamorro Orué, Analia I; Tania, ?; Sharp-Bucknall, Lachlan; Flynn, Matthew T.; Wilson, David J. D.; Athukorala Arachchige, Kasun S.; Clegg, Jack K.; Dutton, Jason L.","On the activation of PhICl<sub>2</sub> with pyridine.","Chemical communications (Cambridge, England)","2021","57","40","4970","4973","10.1039/d1cc01567b","","","0.71073","MoKα","","0.0358","0.0338","","","0.0773","0.0786","","","","","","1.055","","","","has coordinates","265881","2021-06-05","17:28:16",""
"7128178","7.7784","0.0002","9.3743","0.0002","16.8499","0.0005","90","","95.923","0.003","90","","1222.09","0.06","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl F3 N2 O3 S -","- C8 H10 Cl F3 N2 O3 S -","- C32 H40 Cl4 F12 N8 O12 S4 -","4","1","","Poynder, Tiffany B.; Chamorro Orué, Analia I; Tania, ?; Sharp-Bucknall, Lachlan; Flynn, Matthew T.; Wilson, David J. D.; Athukorala Arachchige, Kasun S.; Clegg, Jack K.; Dutton, Jason L.","On the activation of PhICl<sub>2</sub> with pyridine.","Chemical communications (Cambridge, England)","2021","57","40","4970","4973","10.1039/d1cc01567b","","x-ray","1.54184","CuKα","","0.0857","0.0788","","","0.2045","0.2133","","","","","","1.063","","","","has coordinates","265881","2021-06-05","17:28:16",""
"7128179","12.091","0.0002","5.3579","","12.424","","90","","101.87","","90","","787.646","0.013","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 I -","- C6 H5 Cl2 I -","- C24 H20 Cl8 I4 -","4","1","","Poynder, Tiffany B.; Chamorro Orué, Analia I; Tania, ?; Sharp-Bucknall, Lachlan; Flynn, Matthew T.; Wilson, David J. D.; Athukorala Arachchige, Kasun S.; Clegg, Jack K.; Dutton, Jason L.","On the activation of PhICl<sub>2</sub> with pyridine.","Chemical communications (Cambridge, England)","2021","57","40","4970","4973","10.1039/d1cc01567b","","","0.56086","AgKα","","0.013","0.013","","","0.0267","0.0267","","","","","","1.008","","","","has coordinates","265881","2021-06-05","17:28:16",""
"7128180","13.1045","0.0003","14.6076","0.0004","14.491","0.0004","90","","103.333","0.001","90","","2699.18","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br N O7 -","- C29 H28 Br N O7 -","- C116 H112 Br4 N4 O28 -","4","1","","Niu, Ben; Wei, Yin; Shi, Min","Palladium catalyzed divergent cycloadditions of vinylidenecyclopropane-diesters with methyleneindolinones enabled by zwitterionic π-propargyl palladium species.","Chemical communications (Cambridge, England)","2021","57","39","4783","4786","10.1039/d1cc01453f","","","0.71073","MoKα","","0.0559","0.0382","","","0.0868","0.0976","","","","","","1.014","","","","has coordinates","265875","2021-06-05","17:27:06",""
"7128181","9.492","0.0005","11.5335","0.0006","26.1458","0.0016","90","","97.433","0.002","90","","2838.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Br N O7 -","- C29 H28 Br N O7 -","- C116 H112 Br4 N4 O28 -","4","1","","Niu, Ben; Wei, Yin; Shi, Min","Palladium catalyzed divergent cycloadditions of vinylidenecyclopropane-diesters with methyleneindolinones enabled by zwitterionic π-propargyl palladium species.","Chemical communications (Cambridge, England)","2021","57","39","4783","4786","10.1039/d1cc01453f","","","0.71073","MoKα","","0.1013","0.0532","","","0.127","0.1583","","","","","","1.007","","","","has coordinates","265875","2021-06-05","17:27:06",""
"7128182","7.0612","0.0003","10.729","0.0004","16.08","0.0006","88.15","0.002","87.486","0.002","84.532","0.002","1211.02","0.08","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl3 N2 O3 -","- C26 H19 Cl3 N2 O3 -","- C52 H38 Cl6 N4 O6 -","2","1","","Chen, Xia; Zhong, Cheng; Lu, Yuling; Yao, Meng; Guan, Zhenhua; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Zhang, Yonghui","Practical access to fluorescent 2,3-naphthalimide derivatives via didehydro-Diels-Alder reaction.","Chemical communications (Cambridge, England)","2021","57","42","5155","5158","10.1039/d1cc01437d","","","1.54178","CuKα","","0.0623","0.058","","","0.1612","0.167","","","","","","1.039","","","","has coordinates,has disorder","265865","2021-06-05","17:25:32",""
"7128183","12.5476","0.0003","18.3022","0.0004","20.615","0.0005","83.0761","0.0013","77.4361","0.0013","79.336","0.0012","4525.1","0.19","100","2","100","","","","","","","","","8","P -1","-P 1","2","","Thiophosphonium salt","","- C88 H88 B Cl4 F24 N6 P S -","- C88 H88 B Cl4 F24 N6 P S -","- C176 H176 B2 Cl8 F48 N12 P2 S2 -","2","1","","Löwe, Pawel; Witteler, Tim; Dielmann, Fabian","Lewis base-free thiophosphonium ion: a cationic sulfur atom transfer reagent.","Chemical communications (Cambridge, England)","2021","57","41","5043","5046","10.1039/d1cc01273h","","","0.71073","MoKα","","0.0528","0.045","","","0.1178","0.1239","","","","","","1.005","","","","has coordinates","265850","2021-06-05","17:19:31",""
"7128184","12.4753","0.0004","15.7403","0.0005","17.5125","0.0006","70.944","0.002","82.683","0.002","75.308","0.002","3140.38","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H81 Cl3 F2 N6 P -","- C66 H81 Cl3 F2 N6 P -","- C132 H162 Cl6 F4 N12 P2 -","2","1","","Löwe, Pawel; Witteler, Tim; Dielmann, Fabian","Lewis base-free thiophosphonium ion: a cationic sulfur atom transfer reagent.","Chemical communications (Cambridge, England)","2021","57","41","5043","5046","10.1039/d1cc01273h","","","0.71073","MoKα","","0.0743","0.0565","","","0.1485","0.1615","","","","","","1.035","","","","has coordinates,has disorder","265850","2021-06-05","17:19:32",""
"7128185","12.5153","0.0003","20.6933","0.0004","21.869","0.0005","97.8224","0.001","104.482","0.001","96.7163","0.0011","5365","0.2","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C55.5 H75.5 Cl N6 P S -","- C55.5 H75.5 Cl N6 P S -","- C222 H302 Cl4 N24 P4 S4 -","4","2","","Löwe, Pawel; Witteler, Tim; Dielmann, Fabian","Lewis base-free thiophosphonium ion: a cationic sulfur atom transfer reagent.","Chemical communications (Cambridge, England)","2021","57","41","5043","5046","10.1039/d1cc01273h","","","0.71073","MoKα","","0.0495","0.0406","","","0.104","0.1095","","","","","","1.029","","","","has coordinates,has disorder","265850","2021-06-05","17:19:32",""
"7128186","19.9223","0.0009","28.8141","0.0014","17.4931","0.0007","90","","97.02","0.003","90","","9966.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Na6Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.5DMF.3Acetone.4H2O","","- C90 H97 Fe2 N11 Na6 O36 -","- C90 H97 Fe2 N11 Na6 O36 -","- C360 H388 Fe8 N44 Na24 O144 -","4","1","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.1577","0.1296","","","0.3298","0.3502","","","","","","1.051","","","","has coordinates,has disorder","265864","2021-06-05","17:25:24",""
"7128187","26.6408","0.0015","12.2924","0.0007","22.7172","0.0012","90","","110.066","0.002","90","","6987.8","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(guanidinium)4Cu2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )2.H2O.iPrOH","","- C54 H65 Cu2 N16 O19 -","- C54 H65 Cu2 N16 O19 -","- C216 H260 Cu8 N64 O76 -","4","0.5","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.0464","0.0435","","","0.1078","0.1098","","","","","","1.08","","","","has coordinates","265864","2021-06-05","17:25:25",""
"7128188","14.1272","0.0012","14.8356","0.0014","20.795","0.0018","89.584","0.004","74.544","0.003","77.368","0.004","4093","0.6","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","(guanidinium)6Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.7H2O","","- C144 H170 Fe4 N48 O61 -","- C144 H170 Fe4 N48 O61 -","- C144 H170 Fe4 N48 O61 -","1","0.5","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.1383","0.0804","","","0.1596","0.1952","","","","","","1.014","","","","has coordinates,has disorder","265864","2021-06-05","17:25:25",""
"7128189","43.027","0.004","9.8262","0.0008","20.9293","0.0018","90","","107.536","0.004","90","","8437.5","1.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(guanidinium)6Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.4H2O","","- C144 H162 Fe4 N48 O57 -","- C144 H162 Fe4 N48 O57 -","- C288 H324 Fe8 N96 O114 -","2","0.25","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.0992","0.0783","","","0.1909","0.2041","","","","","","1.076","","","","has coordinates,has disorder","265864","2021-06-05","17:25:25",""
"7128190","13.5168","0.0004","30.7906","0.0011","14.0219","0.0005","90","","94.73","0.002","90","","5815.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na4Cu2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )2.3DMF","","- C53 H47 Cu2 N7 Na4 O20 -","- C53 H47 Cu2 N7 Na4 O20 -","- C212 H188 Cu8 N28 Na16 O80 -","4","1","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.0841","0.0705","","","0.2059","0.2202","","","","","","1.073","","","","has coordinates,has disorder","265864","2021-06-05","17:25:25",""
"7128191","26.172","0.0007","17.389","0.0005","31.5009","0.0008","90","","95.918","0.002","90","","14259.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na2(NBut4)4Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.DMF","","- C266 H388 Fe4 N22 Na4 O57 -","- C266 H388 Fe4 N22 Na4 O57 -","- C532 H776 Fe8 N44 Na8 O114 -","2","0.5","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.1264","0.0905","","","0.2115","0.2296","","","","","","1.056","","","","has coordinates,has disorder","265864","2021-06-05","17:25:25",""
"7128192","23.0817","0.0005","23.3506","0.0005","10.0089","0.0002","90","","90","","90","","5394.5","0.2","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","(H2TMEDA)3Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.DMF","","- C84 H86 Fe2 N12 O26 -","- C84 H86 Fe2 N12 O26 -","- C168 H172 Fe4 N24 O52 -","2","0.5","","Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.","Chemical communications (Cambridge, England)","2021","57","42","5143","5146","10.1039/d0cc08180a","","","1.54178","CuKα","","0.0797","0.0526","","","0.1399","0.1593","","","","","","1.012","","","","has coordinates","265864","2021-06-05","17:25:25",""
"7128193","27.106","0.006","15.46","0.003","46.953","0.01","90","","90","","90","","19676","7","293","2","293","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C170 H262 O91 Sn18 -","- C170 H228 O74 Sn18 -","- C340 H456 O148 Sn36 -","2","0.25","","Zhu, Yu; Li, Qiaohong; Li, Dongsheng; Zhang, Jian; Zhang, Lei","Functional ligand directed assembly and electronic structure of Sn<sub>18</sub>-oxo wheel nanoclusters.","Chemical communications (Cambridge, England)","2021","57","42","5159","5162","10.1039/d1cc00651g","","","0.71073","MoKα","","0.0871","0.0687","","","0.1977","0.2155","","","","","","1.096","","","","has coordinates,has disorder","265863","2021-06-05","17:24:58",""
"7128194","14.2047","0.0015","21.812","0.002","14.6944","0.0015","90","","90.464","0.001","90","","4552.7","0.8","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","FeNi_AQDS_H2O_100K","","- C29 H48 Fe N14 Ni2 O11 S -","- C29 H48 Fe N14 Ni2 O11 S -","- C116 H192 Fe4 N56 Ni8 O44 S4 -","4","1","","Yoshino, Haruka; Tomokage, Narumi; Mishima, Akio; Le Ouay, Benjamin; Ohtani, Ryo; Kosaka, Wataru; Miyasaka, Hitoshi; Ohba, Masaaki","Guest-selective and reversible magnetic phase switching in a pseudo-pillared-layer porous magnet.","Chemical communications (Cambridge, England)","2021","57","42","5211","5214","10.1039/d1cc01526e","","","0.71073","MoKα","","0.0599","0.0457","","","0.1212","0.1317","","","","","","1.046","","","","has coordinates,has disorder","265866","2021-06-05","17:25:40",""
"7128195","3.8549","0.0009","11.732","0.002","27.48","0.005","90","","90","","90","","1242.8","0.4","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br1.25 N0.75 O3.5 -","- C13 H8 Br1.25 N0.75 O3.5 -","- C52 H32 Br5 N3 O14 -","4","1","","Whittaker, Jacob J.; Brock, Aidan J.; Grosjean, Arnaud; Pfrunder, Michael C.; McMurtrie, John C.; Clegg, Jack K.","Comment on ""Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic"" by S. Saha and G. R. Desiraju, <i>Chem. Commun.</i>, 2018, <b>54</b>, 6348.","Chemical communications (Cambridge, England)","2021","57","40","4974","4975","10.1039/d0cc07668f","","","0.71073","MoKα","","0.0508","0.0455","","","0.0953","0.0979","","","","","","1.056","","","","has coordinates,has disorder","265884","2021-06-05","17:29:04",""
"7128196","13.3586","0.0012","14.0431","0.0016","16.711","0.002","109.543","0.005","96.454","0.002","98.884","0.003","2873.2","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H60 F Ge P3 Pd -","- C72 H60 F Ge P3 Pd -","- C144 H120 F2 Ge2 P6 Pd2 -","2","1","","Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier","Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation.","Chemical communications (Cambridge, England)","2021","57","41","5004","5007","10.1039/d1cc01392k","","","0.710747","MoKα","","0.0614","0.0496","","","0.0955","0.1033","","","","","","1.066","","","","has coordinates","265851","2021-06-05","17:19:47",""
"7128197","12.4393","0.0005","18.8866","0.0006","18.6647","0.0008","90","","109.172","0.0016","90","","4141.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H33 F5 Ge P2 Pd -","- C48 H33 F5 Ge P2 Pd -","- C192 H132 F20 Ge4 P8 Pd4 -","4","1","","Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier","Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation.","Chemical communications (Cambridge, England)","2021","57","41","5004","5007","10.1039/d1cc01392k","","","0.7107","MoKα","","0.0551","0.0402","","","0.0831","0.0905","","","","","","1.063","","","","has coordinates","265851","2021-06-05","17:19:47",""
"7128198","20.3098","0.0006","15.2436","0.0004","22.422","0.0007","90","","104.893","0.0013","90","","6708.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H68 B Ge P3 Pd -","- C84 H68 B Ge P3 Pd -","- C336 H272 B4 Ge4 P12 Pd4 -","4","1","","Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier","Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation.","Chemical communications (Cambridge, England)","2021","57","41","5004","5007","10.1039/d1cc01392k","","","0.710747","MoKα","","0.0635","0.0477","","","0.0947","0.1029","","","","","","1.137","","","","has coordinates","265851","2021-06-05","17:19:47",""
"7128199","9.191","0.002","18.595","0.004","21.171","0.005","90","","93.617","0.003","90","","3611.1","1.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Cl Ge P2 Pd -","- C42 H33 Cl Ge P2 Pd -","- C168 H132 Cl4 Ge4 P8 Pd4 -","4","1","","Kameo, Hajime; Mushiake, Akihiro; Isasa, Tomohito; Matsuzaka, Hiroyuki; Bourissou, Didier","Pd/Ni-Catalyzed Germa-Suzuki coupling <i>via</i> dual Ge-F bond activation.","Chemical communications (Cambridge, England)","2021","57","41","5004","5007","10.1039/d1cc01392k","","","0.7107","MoKα","","0.0481","0.0407","","","0.0902","0.0948","","","","","","1.132","","","","has coordinates","265851","2021-06-05","17:19:47",""
"7128200","7.059","0.008","19.92","0.02","9.454","0.011","90","","91.125","0.012","90","","1329","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","2","","Chen, Jiangfei; Zhu, Yan-Ping; Li, Jin-Heng; Wang, Qiu-An","External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines.","Chemical communications (Cambridge, England)","2021","57","42","5215","5218","10.1039/d1cc01565f","","","0.71073","MoKα","","0.1885","0.1241","","","0.3191","0.3636","","","","","","1.053","","","","has coordinates","265868","2021-06-05","17:26:05",""
"7128201","6.5441","0.0019","8.977","0.003","28.197","0.008","90","","90","","90","","1656.5","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Chen, Jiangfei; Zhu, Yan-Ping; Li, Jin-Heng; Wang, Qiu-An","External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines.","Chemical communications (Cambridge, England)","2021","57","42","5215","5218","10.1039/d1cc01565f","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","265868","2021-06-05","17:26:06",""
"7128202","13.9958","0.0006","7.4192","0.0003","18.5276","0.0008","90","","109.796","0.005","90","","1810.17","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","2","","Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang","Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.","Chemical communications (Cambridge, England)","2021","57","42","5171","5174","10.1039/d1cc01675j","","","0.71073","MoKα","","0.0712","0.0545","","","0.1673","0.1799","","","","","","1.08","","","","has coordinates","265870","2021-06-05","17:26:20",""
"7128203","18.6138","0.0003","7.3953","0.0001","14.0162","0.0002","90","","109.918","0.002","90","","1813.98","0.05","298","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang","Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.","Chemical communications (Cambridge, England)","2021","57","42","5171","5174","10.1039/d1cc01675j","","","1.54178","CuKα","","0.12","0.1097","","","0.3184","0.3322","","","","","","1.004","","","","has coordinates","265870","2021-06-05","17:26:21",""
"7128204","7.0131","0.0007","7.1214","0.0005","19.477","0.0017","90","","93.127","0.008","90","","971.29","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H15 N O4 S -","- C7 H15 N O4 S -","- C28 H60 N4 O16 S4 -","4","1","","Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang","Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.","Chemical communications (Cambridge, England)","2021","57","42","5171","5174","10.1039/d1cc01675j","","","0.71073","MoKα","","0.0834","0.0545","","","0.1384","0.1537","","","","","","1.075","","","","has coordinates","265870","2021-06-05","17:26:21",""
"7128205","14.0095","0.0002","7.4162","0.0001","18.5511","0.0002","90","","109.791","0.002","90","","1813.56","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","2","","Li, Yibao; Du, Ye; Huang, Chao-Ran; Peng, Hang; Zeng, Yu-Ling; Liu, Jun-Chao; Liao, Wei-Qiang","Homochiral anionic modification toward the chemical design of organic enantiomeric ferroelectrics.","Chemical communications (Cambridge, England)","2021","57","42","5171","5174","10.1039/d1cc01675j","","","1.54178","CuKα","","0.0653","0.0581","","","0.1674","0.1864","","","","","","0.991","","","","has coordinates","265870","2021-06-05","17:26:21",""
"7128206","9.9343","0.0004","23.4616","0.0011","22.0737","0.0012","90","","91.875","0.005","90","","5142.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Li N4 P7 Si2 -","- C44 H70 Li N4 P7 Si2 -","- C176 H280 Li4 N16 P28 Si8 -","4","1","","Boronski, Josef T.; Seed, John A.; Wooles, Ashley J.; Liddle, Stephen T.","Fragmentation, catenation, and direct functionalisation of white phosphorus by a uranium(IV)-silyl-phosphino-carbene complex.","Chemical communications (Cambridge, England)","2021","57","41","5090","5093","10.1039/d1cc01741a","","x-ray","1.54184","CuKα","","0.0993","0.0686","","","0.1798","0.201","","","","","","1.04","","","","has coordinates,has disorder","265854","2021-06-05","17:21:37",""
"7128207","12.67099","0.00017","21.463","0.0002","16.66143","0.00017","90","","93.0428","0.0011","90","","4524.81","0.09","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H54 Cl3 Li N4 P2 Si2 U -","- C37 H54 Cl3 Li N4 P2 Si2 U -","- C148 H216 Cl12 Li4 N16 P8 Si8 U4 -","4","1","","Boronski, Josef T.; Seed, John A.; Wooles, Ashley J.; Liddle, Stephen T.","Fragmentation, catenation, and direct functionalisation of white phosphorus by a uranium(IV)-silyl-phosphino-carbene complex.","Chemical communications (Cambridge, England)","2021","57","41","5090","5093","10.1039/d1cc01741a","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1223","0.124","","","","","","1.023","","","","has coordinates,has disorder","265854","2021-06-05","17:21:37",""
"7128208","13.8687","0.0002","14.1074","0.0003","15.5642","0.0002","113.276","0.002","106.911","0.001","90.138","0.001","2652.39","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H126 N4 P10 Si6 U2 -","- C106 H126 N4 P10 Si6 U2 -","- C106 H126 N4 P10 Si6 U2 -","1","0.5","","Boronski, Josef T.; Seed, John A.; Wooles, Ashley J.; Liddle, Stephen T.","Fragmentation, catenation, and direct functionalisation of white phosphorus by a uranium(IV)-silyl-phosphino-carbene complex.","Chemical communications (Cambridge, England)","2021","57","41","5090","5093","10.1039/d1cc01741a","","x-ray","1.54184","CuKα","","0.025","0.0247","","","0.0691","0.0693","","","","","","1.113","","","","has coordinates","265854","2021-06-05","17:21:37",""
"7128209","18.6755","0.0011","12.397","0.0005","8.8081","0.0004","90","","113.055","0.001","90","","1876.38","0.16","100","","100","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Th(ITA)4","","- C32 H64 N4 O4 Th -","- C32 H64 N4 O4 Th -","- C64 H128 N8 O8 Th2 -","2","0.25","","Straub, Mark D.; Ouellette, Erik T.; Boreen, Michael A.; Branson, Jacob A.; Ditter, Alex; Kilcoyne, A. L. David; Lohrey, Trevor D.; Marcus, Matthew A.; Paley, Maria; Ramirez, José; Shuh, David K.; Minasian, Stefan G.; Arnold, John","Thorium amidates function as single-source molecular precursors for thorium dioxide.","Chemical communications (Cambridge, England)","2021","57","40","4954","4957","10.1039/d1cc00867f","","","0.7288","synchrotron","","0.0187","0.0187","","","0.0477","0.0477","","","","","","1.042","","","","has coordinates,has disorder","265886","2021-06-05","17:29:21",""
"7128210","26.5272","0.0017","11.0968","0.0007","21.0598","0.0013","90","","107.646","0.004","90","","5907.6","0.7","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Th(TPTA)4","","- C60 H88 N4 O4 Th -","- C60 H88 N4 O4 Th -","- C240 H352 N16 O16 Th4 -","4","0.5","","Straub, Mark D.; Ouellette, Erik T.; Boreen, Michael A.; Branson, Jacob A.; Ditter, Alex; Kilcoyne, A. L. David; Lohrey, Trevor D.; Marcus, Matthew A.; Paley, Maria; Ramirez, José; Shuh, David K.; Minasian, Stefan G.; Arnold, John","Thorium amidates function as single-source molecular precursors for thorium dioxide.","Chemical communications (Cambridge, England)","2021","57","40","4954","4957","10.1039/d1cc00867f","","","0.7288","synchrotron","","0.067","0.0646","","","0.1532","0.1547","","","","","","1.489","","","","has coordinates,has disorder","265886","2021-06-05","17:29:21",""
"7128211","10.7799","0.0002","14.0321","0.0003","22.2223","0.0005","90","","102.024","0.002","90","","3287.7","0.12","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","Th(ArFTA)4","","- C58 H62 F24 N4 O4 Th -","- C58 H62 F24 N4 O4 Th -","- C116 H124 F48 N8 O8 Th2 -","2","0.5","","Straub, Mark D.; Ouellette, Erik T.; Boreen, Michael A.; Branson, Jacob A.; Ditter, Alex; Kilcoyne, A. L. David; Lohrey, Trevor D.; Marcus, Matthew A.; Paley, Maria; Ramirez, José; Shuh, David K.; Minasian, Stefan G.; Arnold, John","Thorium amidates function as single-source molecular precursors for thorium dioxide.","Chemical communications (Cambridge, England)","2021","57","40","4954","4957","10.1039/d1cc00867f","","x-ray","0.71073","MoKα","","0.0244","0.0219","","","0.0535","0.0543","","","","","","1.045","","","","has coordinates,has disorder","265886","2021-06-05","17:29:21",""
"7128212","20.547","0.003","24.403","0.003","31.283","0.004","99.271","0.002","107.416","0.002","107.007","0.002","13770","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C108 Mo12 O80 Si Zr12 -","- C108 Mo12 O80 Si Zr12 -","- C216 Mo24 O160 Si2 Zr24 -","2","1","","Le Ouay, Benjamin; Yoshino, Haruka; Sasaki, Kenta; Ohtsubo, Yuta; Ohtani, Ryo; Ohba, Masaaki","Crystalline assembly of metal-organic polyhedra driven by ionic interactions with polyoxometalates.","Chemical communications (Cambridge, England)","2021","57","42","5187","5190","10.1039/d1cc01185e","","","0.71073","MoKα","","0.103","0.0811","","","0.2189","0.2322","","","","","","1.095","","","","has coordinates","265867","2021-06-05","17:25:57",""
"7128213","23.393","0.006","24.882","0.006","29.501","0.007","99.888","0.003","102.172","0.003","107.063","0.003","15537","7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C108 O80 Si W12 Zr12 -","- C108 O80 Si W12 Zr12 -","- C216 O160 Si2 W24 Zr24 -","2","1","","Le Ouay, Benjamin; Yoshino, Haruka; Sasaki, Kenta; Ohtsubo, Yuta; Ohtani, Ryo; Ohba, Masaaki","Crystalline assembly of metal-organic polyhedra driven by ionic interactions with polyoxometalates.","Chemical communications (Cambridge, England)","2021","57","42","5187","5190","10.1039/d1cc01185e","","","0.71073","MoKα","","0.1823","0.136","","","0.3261","0.3773","","","","","","1.092","","","","has coordinates","265867","2021-06-05","17:25:58",""
"7128214","12.435","0.003","12.435","0.003","15.058","0.004","90","","90","","120","","2016.5","0.9","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C32.5 H66 Cl7 Cr3 O6 -","- C24.9999 H48 Cl6.9999 Cr3 O6 -","- C49.9998 H96 Cl13.9998 Cr6 O12 -","2","0.333333","","Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko","A trinuclear chromium(iii) chlorocarbyne.","Chemical communications (Cambridge, England)","2021","57","42","5199","5202","10.1039/d1cc01514a","","","0.71075","MoKα","","0.0703","0.0623","","","0.1868","0.1955","","","","","","1.12","","","","has coordinates,has disorder","265871","2021-06-05","17:26:31",""
"7128215","11.454","0.005","12.317","0.006","14.321","0.008","106.405","0.006","102.357","0.007","92.041","0.006","1883.3","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H53 Cl6 Cr3 O6.5 -","- C25 H49 Cl6 Cr3 O6 -","- C50 H98 Cl12 Cr6 O12 -","2","1","","Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko","A trinuclear chromium(iii) chlorocarbyne.","Chemical communications (Cambridge, England)","2021","57","42","5199","5202","10.1039/d1cc01514a","","","0.71075","MoKα","","0.0747","0.0538","","","0.1252","0.1395","","","","","","1.023","","","","has coordinates,has disorder","265871","2021-06-05","17:26:32",""
"7128216","14.106","0.005","16.474","0.006","16.918","0.006","110.075","0.004","97.234","0.002","110.542","0.004","3319","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H81 Cl13 Cr6 O11 -","- C34 H65 Cl13 Cr6 O9 -","- C68 H130 Cl26 Cr12 O18 -","2","1","","Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko","A trinuclear chromium(iii) chlorocarbyne.","Chemical communications (Cambridge, England)","2021","57","42","5199","5202","10.1039/d1cc01514a","","","0.71075","MoKα","","0.0853","0.0682","","","0.1734","0.1941","","","","","","1.147","","","","has coordinates,has disorder","265871","2021-06-05","17:26:32",""
"7128217","10.107","0.003","18.184","0.005","19.257","0.005","90","","93.951","0.004","90","","3530.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H48 Cl7 Cr3 O6 -","- C25 H48 Cl7 Cr3 O6 -","- C100 H192 Cl28 Cr12 O24 -","4","1","","Kurogi, Takashi; Irifune, Keiichi; Enoki, Takahiro; Takai, Kazuhiko","A trinuclear chromium(iii) chlorocarbyne.","Chemical communications (Cambridge, England)","2021","57","42","5199","5202","10.1039/d1cc01514a","","","0.71075","MoKα","","0.0916","0.0777","","","0.1753","0.1845","","","","","","1.203","","","","has coordinates,has disorder","265871","2021-06-05","17:26:32",""
"7128218","9.3876","0.0003","11.0428","0.0003","15.2827","0.0005","90","","102.186","0.002","90","","1548.59","0.08","170","","170","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 Ag2 F12 N4 P2 -","- C24 H28 Ag2 F12 N4 P2 -","- C48 H56 Ag4 F24 N8 P4 -","2","0.5","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","","0.71073","MoKα","","0.0477","0.0345","","","0.072","0.0763","","","","","","1.038","","","","has coordinates","265853","2021-06-05","17:21:24",""
"7128219","11.6037","0.0005","12.4587","0.0003","22.322","0.0009","90","","90","","90","","3227","0.2","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F6 I N2 P -","- C12 H14 F6 I N2 P -","- C96 H112 F48 I8 N16 P8 -","8","1","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","","0.71073","MoKα","","0.0621","0.0404","","","0.1037","0.1222","","","","","","1.126","","","","has coordinates","265853","2021-06-05","17:21:25",""
"7128220","10.8641","0.0003","11.1767","0.0002","15.0419","0.0004","90","","108.62","0.001","90","","1730.86","0.07","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag F6 N2 P -","- C14 H18 Ag F6 N2 P -","- C56 H72 Ag4 F24 N8 P4 -","4","1","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","","0.71073","MoKα","","0.0598","0.0435","","","0.0971","0.1036","","","","","","1.047","","","","has coordinates,has disorder","265853","2021-06-05","17:21:25",""
"7128221","11.8384","0.0006","10.2312","0.0004","15.1646","0.0006","90","","109.654","0.005","90","","1729.74","0.14","120","0.1","120","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ag0.26 F6 I0.74 N2 P -","- C14 H18 Ag0.26 F6 I0.74 N2 P -","- C56 H72 Ag1.04 F24 I2.96 N8 P4 -","4","0.5","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","x-ray","1.54184","CuKα","","0.0384","0.038","","","0.1015","0.1026","","","","","","1.1","","","","has coordinates,has disorder","265853","2021-06-05","17:21:25",""
"7128222","11.7938","0.0003","10.2841","0.0002","15.1354","0.0003","90","","109.149","0.002","90","","1734.18","0.07","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 F6 I N2 P -","- C14 H18 F6 I N2 P -","- C56 H72 F24 I4 N8 P4 -","4","0.5","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0538","0.0542","","","","","","1.085","","","","has coordinates","265853","2021-06-05","17:21:25",""
"7128223","17.9543","0.001","20.8051","0.001","26.6647","0.001","100.468","0.004","94.508","0.004","106.703","0.005","9290.4","0.8","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 F6 I N2 P -","- C16 H22 F6 I N2 P -","- C288 H396 F108 I18 N36 P18 -","18","9","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","x-ray","1.54184","CuKα","","0.1845","0.1163","","","0.2909","0.3445","","","","","","1.024","","","","has coordinates,has disorder","265853","2021-06-05","17:21:25",""
"7128224","6.9897","0.0001","43.9504","0.0004","20.8689","0.0003","90","","94.294","0.001","90","","6392.93","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Ag F12 I N4 P2 -","- C24 H28 Ag F12 I N4 P2 -","- C192 H224 Ag8 F96 I8 N32 P16 -","8","2","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","x-ray","1.54184","CuKα","","0.0609","0.0555","","","0.1458","0.1506","","","","","","1.04","","","","has coordinates","265853","2021-06-05","17:21:25",""
"7128225","10.2094","0.0002","10.2353","0.0003","19.2604","0.0004","100.476","0.002","102.846","0.002","91.053","0.002","1925.92","0.08","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Ag F6 N2 P -","- C16 H22 Ag F6 N2 P -","- C64 H88 Ag4 F24 N8 P4 -","4","2","","Ward, Jas S.; Frontera, Antonio; Rissanen, Kari","Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(I) and silver(I) complexes.","Chemical communications (Cambridge, England)","2021","57","41","5094","5097","10.1039/d1cc01505b","","x-ray","1.54184","CuKα","","0.0268","0.0244","","","0.062","0.0639","","","","","","1.035","","","","has coordinates","265853","2021-06-05","17:21:25",""
"7128226","9.6552","0.0007","17.3124","0.0013","15.8733","0.0013","90","","99.979","0.007","90","","2613.2","0.4","293","","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54.5 H78 Cl4 N2 Zn2 -","- C44 H66 Cl4 N2 Zn2 -","- C88 H132 Cl8 N4 Zn4 -","2","0.5","","Rajendran, N. M.; Gautam, Nimisha; Sarkar, Pallavi; Ahmed, Jasimuddin; Das, Arpan; Das, Shubhajit; Pati, Swapan K.; Mandal, Swadhin K.","Bicyclic (alkyl)(amino)carbene stabilized zinc(0) complex with singlet biradicaloid ground state.","Chemical communications (Cambridge, England)","2021","57","43","5282","5285","10.1039/d1cc01298c","","","0.71073","MoKα","","0.0647","0.0497","","","0.1288","0.1447","","","","","","1.034","","","","has coordinates,has disorder","265858","2021-06-05","17:24:15",""
"7128227","9.85","0.0004","12.5419","0.0005","16.7728","0.0006","79.912","0.003","85.521","0.003","70.669","0.004","1924.57","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H132 N4 Zn2 -","- C88 H132 N4 Zn2 -","- C88 H132 N4 Zn2 -","1","0.5","","Rajendran, N. M.; Gautam, Nimisha; Sarkar, Pallavi; Ahmed, Jasimuddin; Das, Arpan; Das, Shubhajit; Pati, Swapan K.; Mandal, Swadhin K.","Bicyclic (alkyl)(amino)carbene stabilized zinc(0) complex with singlet biradicaloid ground state.","Chemical communications (Cambridge, England)","2021","57","43","5282","5285","10.1039/d1cc01298c","","","1.54184","CuKα","","0.0572","0.0472","","","0.1041","0.1085","","","","","","1.142","","","","has coordinates,has disorder","265858","2021-06-05","17:24:15",""
"7128228","40.5682","0.0004","14.3248","0.0001","21.1084","0.0002","90","","98.962","0.001","90","","12117","0.19","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H49 B F20 Mg N2 -","- C60 H49 B F20 Mg N2 -","- C480 H392 B8 F160 Mg8 N16 -","8","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","x-ray","1.54184","CuKα","","0.0443","0.0393","","","0.0947","0.0977","","","","","","1.025","","","","has coordinates","265857","2021-06-05","17:24:06",""
"7128229","14.1185","0.0003","25.0351","0.0005","25.6684","0.0005","111.804","0.0019","101.01","0.0017","100.407","0.0016","7947.3","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C174 H174 B2 F40 Mg4 N8 -","- C174 H174 B2 F40 Mg4 N8 -","- C348 H348 B4 F80 Mg8 N16 -","2","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","x-ray","1.54184","CuKα","","0.0676","0.0485","","","0.13","0.1433","","","","","","1.02","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128230","9.2377","0.0004","12.4708","0.0007","13.7451","0.0006","74.655","0.004","87.535","0.004","78.126","0.004","1494.22","0.13","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Mg N2 -","- C34 H46 Mg N2 -","- C68 H92 Mg2 N4 -","2","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","","1.54184","CuKα","","0.0549","0.0509","","","0.1335","0.1384","","","","","","1.046","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128231","12.6804","0.0004","16.3144","0.0005","22.7319","0.0007","90.874","0.002","90.208","0.003","92.266","0.003","4698.4","0.3","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H97 B F22 Mg2 N4 -","- C99 H97 B F22 Mg2 N4 -","- C198 H194 B2 F44 Mg4 N8 -","2","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","","1.54184","CuKα","","0.0492","0.0436","","","0.1133","0.1191","","","","","","1.014","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128232","15.9261","0.0002","20.4561","0.0002","17.1852","0.0002","90","","106.937","0.0014","90","","5355.86","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H47 B F20 Mg N2 -","- C58 H47 B F20 Mg N2 -","- C232 H188 B4 F80 Mg4 N8 -","4","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","x-ray","1.54184","CuKα","","0.0555","0.0406","","","0.0991","0.1082","","","","","","1.035","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128233","12.5647","0.0006","13.9361","0.0006","18.4496","0.0004","97.935","0.003","98.421","0.003","115.012","0.004","2823.1","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C63 H53 B F20 Mg N2 -","- C63 H53 B F20 Mg N2 -","- C126 H106 B2 F40 Mg2 N4 -","2","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","x-ray","1.54184","CuKα","","0.057","0.0402","","","0.0965","0.1057","","","","","","1.015","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128234","17.66188","0.00008","20.93276","0.00009","19.46075","0.0001","90","","93.1584","0.0004","90","","7183.94","0.06","100","0.2","100","0.2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H59 Al Cl2 F36 Mg N2 O4 -","- C58 H54 Al Cl F36 Mg N2 O4 -","- C232 H216 Al4 Cl4 F144 Mg4 N8 O16 -","4","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","x-ray","1.54184","CuKα","","0.0578","0.0549","","","0.1463","0.1489","","","","","","1.032","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128235","19.6397","0.0003","21.7453","0.0003","20.3018","0.0004","90","","90.637","0.002","90","","8669.8","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H87 Al F36 Mg2 N4 O4 -","- C79 H87 Al F36 Mg2 N4 O4 -","- C316 H348 Al4 F144 Mg8 N16 O16 -","4","1","","Thum, Katharina; Pahl, Jürgen; Eyselein, Jonathan; Elsen, Holger; Langer, Jens; Harder, Sjoerd","Retro-Diels-Alder decomposition of norbornadiene mediated by a cationic magnesium complex.","Chemical communications (Cambridge, England)","2021","57","43","5278","5281","10.1039/d1cc01691a","","x-ray","1.54184","CuKα","","0.0759","0.0707","","","0.21","0.2217","","","","","","1.149","","","","has coordinates,has disorder","265857","2021-06-05","17:24:06",""
"7128236","12.8409","0.0015","15.0587","0.0015","12.4189","0.0014","90","","106.043","0.004","90","","2307.9","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 S -","- C13 H9 N3 S -","- C104 H72 N24 S8 -","8","2","","Ma, Shi-Tang; Zhu, Xiao-Xiao; Xu, Jing-Yu; Li, Ying; Zhang, Xiao-Mei; Feng, Cheng-Tao; Yan, Yizhe","Iodide-promoted transformations of imidazopyridines into sulfur-bridged imidazopyridines or 1,2,4-thiadiazoles.","Chemical communications (Cambridge, England)","2021","57","43","5338","5341","10.1039/d1cc01044a","","","0.71073","MoKα","","0.0777","0.0438","","","0.1023","0.1209","","","","","","1.024","","","","has coordinates","265859","2021-06-05","17:24:21",""
"7128237","9.856","0.004","4.9044","0.0018","12.905","0.005","90","","92.965","0.007","90","","623","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C32 H28 N4 -","2","0.5","","Ma, Jin-Tian; Wang, Li-Sheng; Chai, Zhi; Chen, Xin-Feng; Tang, Bo-Cheng; Chen, Xiang-Long; He, Cai; Wu, Yan-Dong; Wu, An-Xin","Access to 2-arylquinazolines <i>via</i> catabolism/reconstruction of amino acids with the insertion of dimethyl sulfoxide.","Chemical communications (Cambridge, England)","2021","57","44","5414","5417","10.1039/d1cc00623a","","","0.71073","MoKα","","0.1493","0.1243","","","0.3495","0.3918","","","","","","1.604","","","","has coordinates,has disorder","265833","2021-06-05","17:16:30",""
"7128238","29.4116","0.0011","6.0927","0.0002","10.9457","0.0003","90","","99.118","0.003","90","","1936.64","0.11","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R,2R,6R)-2-(4-methoxyphenyl)-6-[(E)-4-methoxystyryl]-4-oxocyclohexane-1-carbaldehyde","","- C23 H24 O4 -","- C23 H24 O4 -","- C92 H96 O16 -","4","1","","Bora, Pranjal; Jakkampudi, Satish; Parella, Ramarao; Sakkani, Nagaraju; Dai, Qipu; Bihani, Manisha; Arman, Hadi D.; Zhao, John C.-G.","Diastereodivergent synthesis of 4-oxocyclohexanecarbaldehydes by using the modularly designed organocatalysts upon switching on their iminium catalysis.","Chemical communications (Cambridge, England)","2021","57","43","5334","5337","10.1039/d1cc01020d","","x-ray","0.71073","MoKα","","0.072","0.068","","","0.1156","0.1175","","","","","","1.043","","","","has coordinates","265861","2021-06-05","17:24:39",""
"7128239","22.889","0.003","38.418","0.006","10.5749","0.0015","90","","90","","90","","9299","2","98","2","98","2","","","","","","","","5","F d d 2","F 2 -2d","43","","2-Benzyl-6-(2-chloro-phenyl)-4-methyl-4-styrl-tetrahydro- pyrrolo[3,4-c]pyrrole-1,3-dione","","- C28 H25 Cl N2 O2 -","- C28 H25 Cl N2 O2 -","- C448 H400 Cl16 N32 O32 -","16","1","","Bora, Pranjal; Jakkampudi, Satish; Parella, Ramarao; Sakkani, Nagaraju; Dai, Qipu; Bihani, Manisha; Arman, Hadi D.; Zhao, John C.-G.","Diastereodivergent synthesis of 4-oxocyclohexanecarbaldehydes by using the modularly designed organocatalysts upon switching on their iminium catalysis.","Chemical communications (Cambridge, England)","2021","57","43","5334","5337","10.1039/d1cc01020d","","","0.71073","MoKα","","0.0429","0.0409","","","0.1093","0.1116","","","","","","1","","","","has coordinates","265861","2021-06-05","17:24:39",""
"7128240","21.52","0.0004","5.2234","0.0001","16.801","0.0003","90","","93.046","0.002","90","","1885.89","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","(1R,2R,6S)-2-(4-nitrophenyl)-6-[(E)-4-nitrostyryl]-4-oxocyclohexane-1-carbaldehyde","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","","Bora, Pranjal; Jakkampudi, Satish; Parella, Ramarao; Sakkani, Nagaraju; Dai, Qipu; Bihani, Manisha; Arman, Hadi D.; Zhao, John C.-G.","Diastereodivergent synthesis of 4-oxocyclohexanecarbaldehydes by using the modularly designed organocatalysts upon switching on their iminium catalysis.","Chemical communications (Cambridge, England)","2021","57","43","5334","5337","10.1039/d1cc01020d","","x-ray","1.54184","CuKα","","0.0664","0.0553","","","0.1343","0.1373","","","","","","1.081","","","","has coordinates","265861","2021-06-05","17:24:39",""
"7128241","8.81","0.05","17.21","0.1","18.39","0.1","90","","95","0.3","90","","2778","3","100","2","100","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C21 H41 B F3 N3 O Si3 -","- C21 H41 B F3 N3 O Si3 -","- C84 H164 B4 F12 N12 O4 Si12 -","4","2","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1426","0.0688","","","0.1298","0.1579","","","","","","1.064","","","","has coordinates","265852","2021-06-05","17:20:01",""
"7128242","9.356","0.012","9.434","0.012","13.182","0.017","95.79","0.03","106.56","0.03","116.5","0.02","962","2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H66 F2 N2 Si6 -","- C32 H66 F2 N2 Si6 -","- C32 H66 F2 N2 Si6 -","1","0.5","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.2559","0.1075","","","0.1847","0.238","","","","","","1.019","","","","has coordinates","265852","2021-06-05","17:20:02",""
"7128243","18.85","0.011","8.419","0.005","18.595","0.011","90","","117.495","0.011","90","","2618","3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 F2 Ge N3 Si2 -","- C21 H41 F2 Ge N3 Si2 -","- C84 H164 F8 Ge4 N12 Si8 -","4","1","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1465","0.0662","","","0.1073","0.1339","","","","","","1.017","","","","has coordinates","265852","2021-06-05","17:20:02",""
"7128244","18.489","0.008","8.832","0.004","18.866","0.008","90","","118.897","0.012","90","","2697","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 F2 N3 Si2 Sn -","- C21 H41 F2 N3 Si2 Sn -","- C84 H164 F8 N12 Si8 Sn4 -","4","1","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1109","0.0529","","","0.108","0.1276","","","","","","1.033","","","","has coordinates","265852","2021-06-05","17:20:02",""
"7128245","8.74","0.02","17.01","0.04","18.55","0.03","90","","95.21","0.09","90","","2746","10","100","2","100","","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C21 H41 B F3 Ge N3 O Si2 -","- C21 H41 B F3 Ge N3 O Si2 -","- C84 H164 B4 F12 Ge4 N12 O4 Si8 -","4","2","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1262","0.0675","","","0.1184","0.1409","","","","","","1.026","","","","has coordinates","265852","2021-06-05","17:20:02",""
"7128246","17.156","0.0008","17.9049","0.0009","17.405","0.0008","90","","112.89","0.002","90","","4925.4","0.4","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C99 H123 B4 F6 N8 O6 P2 Sn2 -","- C99 H123 B4 F6 N8 O6 P2 Sn2 -","- C198 H246 B8 F12 N16 O12 P4 Sn4 -","2","0.5","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.1102","0.0659","","","0.1615","0.2126","","","","","","1.157","","","","has coordinates,has disorder","265852","2021-06-05","17:20:02",""
"7128247","18.681","0.007","8.385","0.003","18.595","0.007","90","","116.752","0.009","90","","2601","1.7","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 F2 N3 Si3 -","- C21 H41 F2 N3 Si3 -","- C84 H164 F8 N12 Si12 -","4","1","","Parvin, Nasrina; Sen, Nilanjana; Muhasina, Puthan Veetil; Tothadi, Srinu; Parameswaran, Pattiyil; Khan, Shabana","The diverse reactivity of NOBF<sub>4</sub> towards silylene, disilene, germylene and stannylene.","Chemical communications (Cambridge, England)","2021","57","41","5008","5011","10.1039/d1cc01034d","","","0.71073","MoKα","","0.0664","0.0407","","","0.0822","0.0928","","","","","","1.035","","","","has coordinates","265852","2021-06-05","17:20:02",""
"7128248","12.5252","0.0019","13.3924","0.0019","19.02","0.003","90.778","0.005","95.203","0.005","106.28","0.005","3047.4","0.8","104","2","104","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H54 N12 O27 Re6 -","- C42 H54 N12 O27 Re6 -","- C84 H108 N24 O54 Re12 -","2","1","","Ghosh, Rajib; Ghosh, Tamal Kanti; Ghosh, Pradyut","Superiority of a polymeric scavenger over its hexapodal monomer towards efficient ReO<sub>4</sub><sup>-</sup> removal in water.","Chemical communications (Cambridge, England)","2021","57","45","5578","5581","10.1039/d1cc01890f","","","0.71073","MoKα","","0.0986","0.0714","","","0.1746","0.1941","","","","","","1.036","","","","has coordinates","265895","2021-06-05","17:31:45",""
"7128249","9.4904","0.0007","9.8661","0.0007","12.9696","0.0009","71.155","0.002","70.007","0.002","61.631","0.002","985.04","0.12","301","2","300.88","","","","","","","","","5","P 1","P 1","1","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C44 H44 N4 O4 S2 -","2","2","","Huang, Lin; Xie, Jia-Hao; Cai, Yue; Zheng, Chao; Hou, Xue-Long; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of polycyclic pyrrole derivatives by iridium-catalyzed asymmetric allylic dearomatization and ring-expansive migration reactions.","Chemical communications (Cambridge, England)","2021","57","44","5390","5393","10.1039/d1cc01929e","","","0.71073","MoKα","","0.086","0.0764","","","0.1843","0.2003","","","","","","1.048","","","","has coordinates","265835","2021-06-05","17:16:51",""
"7128250","23.5649","0.0002","23.5649","0.0002","23.5649","0.0002","90","","90","","90","","13085.7","0.19","123","2","123","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 Cu4 N12 Na8 O24 Rh4 S12 -","- C36 H60 Cu4 N12 Na8.0001 O24 Rh4 S12 -","- C144 H240 Cu16 N48 Na32.0004 O96 Rh16 S48 -","4","0.333333","","Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi","Transformations of empty Cu core to CuCuO and CuS cores <i>via</i> oxide and sulfide insertions.","Chemical communications (Cambridge, England)","2021","57","44","5386","5389","10.1039/d1cc01572a","","x-ray","0.71073","MoKα","","0.0462","0.0384","","","0.1101","0.1151","","","","","","0.991","","","","has coordinates","265836","2021-06-05","17:17:04",""
"7128251","23.6536","0.0015","23.6536","0.0015","23.6536","0.0015","90","","90","","90","","13234","1.5","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 Cu4 N12 Na8 O25 Rh4 S12 -","- C36 H60 Cu4 N12 Na7.9998 O25 Rh4 S12 -","- C144 H240 Cu16 N48 Na31.9992 O100 Rh16 S48 -","4","0.333333","","Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi","Transformations of empty Cu core to CuCuO and CuS cores <i>via</i> oxide and sulfide insertions.","Chemical communications (Cambridge, England)","2021","57","44","5386","5389","10.1039/d1cc01572a","","","0.4126","synchrotron","","0.0731","0.0592","","","0.1678","0.1792","","","","","","0.98","","","","has coordinates","265836","2021-06-05","17:17:04",""
"7128252","15.6933","0.0003","29.5973","0.0004","15.8253","0.0003","90","","119.634","0.002","90","","6389.1","0.2","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H60 Cu6 N12 Na3 O36 Rh4 S13 -","- C36 H60 Cu6 N12 Na3 O36 Rh4 S13 -","- C72 H120 Cu12 N24 Na6 O72 Rh8 S26 -","2","1","","Fukuda, Yosuke; Yoshinari, Nobuto; Yamagami, Kohei; Konno, Takumi","Transformations of empty Cu core to CuCuO and CuS cores <i>via</i> oxide and sulfide insertions.","Chemical communications (Cambridge, England)","2021","57","44","5386","5389","10.1039/d1cc01572a","","","0.4126","synchrotron","","0.1056","0.0651","","","0.1468","0.1583","","","","","","0.981","","","","has coordinates,has disorder","265836","2021-06-05","17:17:04",""
"7128253","9.957","0.003","15.514","0.005","19.041","0.006","77.394","0.004","85.946","0.003","71.397","0.003","2720.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H24 Cl6 N2 O6 -","- C84 H24 Cl6 N2 O6 -","- C168 H48 Cl12 N4 O12 -","2","1","","Hashikawa, Yoshifumi; Kizaki, Kazuro; Murata, Yasujiro","Pressure-induced annulative orifice closure of a cage-opened C<sub>60</sub> derivative.","Chemical communications (Cambridge, England)","2021","57","43","5322","5325","10.1039/d1cc01662h","","","0.71073","MoKα","","0.0748","0.0491","","","0.1194","0.1322","","","","","","1.053","","","","has coordinates,has disorder","265860","2021-06-05","17:24:29",""
"7128254","10.198","0.007","28.838","0.019","17.362","0.011","90","","104.033","0.008","90","","4954","6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H21.62 Cl2 N2 O5.81 -","- C86 H21.616 Cl2 N2 O5.808 -","- C344 H86.464 Cl8 N8 O23.232 -","4","1","","Hashikawa, Yoshifumi; Kizaki, Kazuro; Murata, Yasujiro","Pressure-induced annulative orifice closure of a cage-opened C<sub>60</sub> derivative.","Chemical communications (Cambridge, England)","2021","57","43","5322","5325","10.1039/d1cc01662h","","","0.71073","MoKα","","0.054","0.0406","","","0.101","0.1072","","","","","","1.025","","","","has coordinates,has disorder","265860","2021-06-05","17:24:29",""
"7128255","9.4654","0.0005","11.0784","0.0006","18.2148","0.001","90","","90","","90","","1910.03","0.18","297.5","0.7","297.5","0.7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 F5 P -","- C24 H14 F5 P -","- C96 H56 F20 P4 -","4","1","","Ponce-de-León, Jaime; Infante, Rebeca; Espinet, Pablo","Easy wide scope access to luminescent fluorophosphoranes.","Chemical communications (Cambridge, England)","2021","57","44","5458","5461","10.1039/d1cc00976a","","x-ray","0.71073","MoKα","","0.0703","0.0442","","","0.0825","0.0985","","","","","","1.058","","","","has coordinates","265839","2021-06-05","17:17:28",""
"7128256","9.4899","0.0004","11.6773","0.0004","18.4024","0.0006","90","","102.701","0.004","90","","1989.39","0.13","294","","294","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 F P -","- C24 H30 F P -","- C96 H120 F4 P4 -","4","1","","Ponce-de-León, Jaime; Infante, Rebeca; Espinet, Pablo","Easy wide scope access to luminescent fluorophosphoranes.","Chemical communications (Cambridge, England)","2021","57","44","5458","5461","10.1039/d1cc00976a","","x-ray","0.71073","MoKα","","0.0993","0.0561","","","0.1174","0.1469","","","","","","1.046","","","","has coordinates","265839","2021-06-05","17:17:28",""
"7128257","8.5949","0.0005","17.1989","0.001","29.961","0.002","90","","90","","90","","4428.9","0.5","219.9","0.4","219.9","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H22 F9 P -","- C24 H22 F9 P -","- C192 H176 F72 P8 -","8","1","","Ponce-de-León, Jaime; Infante, Rebeca; Espinet, Pablo","Easy wide scope access to luminescent fluorophosphoranes.","Chemical communications (Cambridge, England)","2021","57","44","5458","5461","10.1039/d1cc00976a","","x-ray","0.71073","MoKα","","0.1505","0.071","","","0.1862","0.2309","","","","","","1.041","","","","has coordinates,has disorder","265839","2021-06-05","17:17:28",""
"7128258","23.1307","0.0001","11.0429","0.0001","24.4853","0.0001","90","","97.165","0.001","90","","6205.44","0.07","180","0.1","180","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H57 B O2 -","- C33 H57 B O2 -","- C264 H456 B8 O16 -","8","4","","Sun, Beiqi; Zheng, Sihan; Mo, Fanyang","Transition metal- and light-free radical borylation of alkyl bromides and iodides using silane.","Chemical communications (Cambridge, England)","2021","57","46","5674","5677","10.1039/d1cc02134f","","x-ray","1.54184","CuKα","","0.0607","0.0588","","","0.1656","0.1681","","","","","","1.045","","","","has coordinates,has disorder","267018","2021-07-05","16:16:41",""
"7128259","24.74","0.08","8.05","0.02","25.1","0.09","90","","94.46","0.06","90","","4984","3","150.15","","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C107 H68 N16 S8 -","- C107 H68 N16 S8 -","- C214 H136 N32 S16 -","2","1","","Hong, Juan; Xiao, Xuxian; Liu, Haoliang; Fu, Lin; Wang, Xin-Chang; Zhou, Long; Wang, Xiao-Ye; Qiu, Zijie; Cao, Xiao-Yu; Narita, Akimitsu; Müllen, Klaus; Hu, Yunbin","X-shaped thiadiazole-containing double [7]heterohelicene with strong chiroptical response and π-stacked homochiral assembly.","Chemical communications (Cambridge, England)","2021","57","45","5566","5569","10.1039/d1cc01631h","","x-ray","0.71073","MoKα","","0.0861","0.0667","","","0.1761","0.1861","","","","","","1.062","","","","has coordinates","265897","2021-06-05","17:32:27",""
"7128260","12.6199","0.0003","12.6719","0.0003","16.2469","0.0003","89.862","0.001","78.768","0.001","73.099","0.001","2434.27","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H32 Cl6 N8 O0 S4 -","- C52 H32 Cl6 N8 S4 -","- C104 H64 Cl12 N16 S8 -","2","1","","Hong, Juan; Xiao, Xuxian; Liu, Haoliang; Fu, Lin; Wang, Xin-Chang; Zhou, Long; Wang, Xiao-Ye; Qiu, Zijie; Cao, Xiao-Yu; Narita, Akimitsu; Müllen, Klaus; Hu, Yunbin","X-shaped thiadiazole-containing double [7]heterohelicene with strong chiroptical response and π-stacked homochiral assembly.","Chemical communications (Cambridge, England)","2021","57","45","5566","5569","10.1039/d1cc01631h","","","0.71073","MoKα","","0.172","0.0879","","","0.2369","0.2898","","","","","","1.033","","","","has coordinates","265897","2021-06-05","17:32:27",""
"7128261","15.056","0.003","16.373","0.003","19.923","0.004","94.827","0.014","107.933","0.012","94.992","0.013","4622.9","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H70 Cl2 N16 S8 -","- C101 H70 Cl2 N16 S8 -","- C202 H140 Cl4 N32 S16 -","2","1","","Hong, Juan; Xiao, Xuxian; Liu, Haoliang; Fu, Lin; Wang, Xin-Chang; Zhou, Long; Wang, Xiao-Ye; Qiu, Zijie; Cao, Xiao-Yu; Narita, Akimitsu; Müllen, Klaus; Hu, Yunbin","X-shaped thiadiazole-containing double [7]heterohelicene with strong chiroptical response and π-stacked homochiral assembly.","Chemical communications (Cambridge, England)","2021","57","45","5566","5569","10.1039/d1cc01631h","","","0.71073","MoKα","","0.2487","0.084","","","0.168","0.2147","","","","","","0.852","","","","has coordinates,has disorder","265897","2021-06-05","17:32:27",""
"7128262","24.3648","0.0009","9.5584","0.0004","25.854","0.001","90","","94.315","0.007","90","","6004","0.4","100","","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C79 H56 O12 -","- C79 H56 O12 -","- C316 H224 O48 -","4","1","","Kasahara, Yotaro; Hisaki, Ichiro; Akutagawa, Tomoyuki; Takeda, Takashi","Fluorescent molecular glass based on hexadehydrotribenzo[12]annulene.","Chemical communications (Cambridge, England)","2021","57","44","5374","5377","10.1039/d1cc01356d","","","1.54187","CuKα","","0.1689","0.0973","","","0.2507","0.3107","","","","","","1.033","","","","has coordinates,has disorder","265840","2021-06-05","17:17:35",""
"7128263","14.3651","0.0012","10.7385","0.001","13.3772","0.0013","90","","94.475","0.006","90","","2057.3","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Br O2 -","- C27 H19 Br O2 -","- C108 H76 Br4 O8 -","4","1","","Jiang, Chengzhou; Wu, Jiamin; Han, Jiabin; Chen, Kai; Qian, Yang; Zhang, Zhengyu; Jiang, Yaojia","An expedient synthesis of highly functionalized 1,3-dienes by employing cyclopropenes as <i>C</i><sub>4</sub> units.","Chemical communications (Cambridge, England)","2021","57","46","5710","5713","10.1039/d1cc01254a","","","0.71073","MoKα","","0.1379","0.0868","","","0.1579","0.1735","","","","","","1.185","","","","has coordinates","267015","2021-07-05","16:16:17",""
"7128264","12.789","0.003","10.573","0.002","13.888","0.003","90","","101.041","0.006","90","","1843.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Design, synthesis and application of spiro[4.5]cyclohexadienones <i>via</i> one-pot sequential <i>p</i>-hydroxybenzylation/oxidative dearomatization.","Chemical communications (Cambridge, England)","2021","57","45","5574","5577","10.1039/d1cc01752g","","","0.71073","MoKα","","0.0587","0.0463","","","0.1193","0.1311","","","","","","1.029","","","","has coordinates,has disorder","265899","2021-06-05","17:32:40",""
"7128265","7.543","0.005","7.946","0.006","16.011","0.011","94.693","0.017","95.845","0.013","97.337","0.014","942.5","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Patil, Vaibhav B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Design, synthesis and application of spiro[4.5]cyclohexadienones <i>via</i> one-pot sequential <i>p</i>-hydroxybenzylation/oxidative dearomatization.","Chemical communications (Cambridge, England)","2021","57","45","5574","5577","10.1039/d1cc01752g","","","0.71073","MoKα","","0.0684","0.0502","","","0.1284","0.1408","","","","","","1.039","","","","has coordinates","265899","2021-06-05","17:32:41",""
"7128266","8.496","0.003","14.455","0.005","11.052","0.004","90","","95.66","0.005","90","","1350.7","0.8","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl4 Ir2 O2 -","- C24 H36 Cl4 Ir2 O2 -","- C48 H72 Cl8 Ir4 O4 -","2","0.5","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0353","","","","0.0923","","","","","","1.003","","","","has coordinates","265896","2021-06-05","17:32:02",""
"7128267","8.3245","0.0011","19.219","0.003","20.158","0.003","90","","90","","90","","3225","0.8","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Cl F5 N2 O3 Rh S -","- C32 H32 Cl F5 N2 O3 Rh S -","- C128 H128 Cl4 F20 N8 O12 Rh4 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0396","","","","0.1008","","","","","","1","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128268","8.051","0.003","20.321","0.007","20.535","0.006","90","","90","","90","","3360","2","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl3 F4 N2 O3 Rh S -","- C33 H34 Cl3 F4 N2 O3 Rh S -","- C132 H136 Cl12 F16 N8 O12 Rh4 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.076","","","","0.1633","","","","","","1","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128269","7.886","0.0016","19.686","0.004","20.376","0.004","90","","90","","90","","3163.2","1.1","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Cl F4 Ir N2 O3 S -","- C32 H30 Cl F4 Ir N2 O3 S -","- C128 H120 Cl4 F16 Ir4 N8 O12 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0402","","","","0.1083","","","","","","1.007","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128270","8.17","0.002","15.036","0.004","27.939","0.007","90","","90","","90","","3432.1","1.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl3 F5 Ir N2 O3 S -","- C33 H35 Cl3 F5 Ir N2 O3 S -","- C132 H140 Cl12 F20 Ir4 N8 O12 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0353","","","","0.0856","","","","","","1","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128271","7.9971","0.0011","11.5082","0.0019","32.026","0.005","90","","90","","90","","2947.4","0.8","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl F5 N2 O2 Rh S -","- C30 H29 Cl F5 N2 O2 Rh S -","- C120 H116 Cl4 F20 N8 O8 Rh4 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","0.0539","0.0471","","","0.1089","0.1137","","","","","","1.016","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128272","11.0733","0.0007","8.0039","0.0004","24.5775","0.0011","90","","99.546","0.005","90","","2148.1","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H26 B Cl2 O6 S16 -","- C36 H26 B Cl2 O6 S16 -","- C72 H52 B2 Cl4 O12 S32 -","2","1","","Blundell, Toby J.; Brannan, Michael; Nishimoto, Hiroshi; Kadoya, Tomofumi; Yamada, Jun-Ichi; Akutsu, Hiroki; Nakazawa, Yasuhiro; Martin, Lee","Chiral metal down to 4.2 K - a BDH-TTP radical-cation salt with spiroboronate anion B(2-chloromandelate)<sub>2</sub><sup/>.","Chemical communications (Cambridge, England)","2021","57","44","5406","5409","10.1039/d1cc01441b","","x-ray","0.71073","MoKα","","0.0476","0.0402","","","0.0846","0.0886","","","","","","1.04","","","","has coordinates,has disorder","265838","2021-06-05","17:17:19",""
"7128273","11.556","0.0005","7.8413","0.0003","14.0984","0.0007","90","","109.338","0.005","90","","1205.44","0.1","123","","123","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C20 H22 Cl3 N4 O4 Rh -","- C20 H22 Cl3 N4 O4 Rh -","- C40 H44 Cl6 N8 O8 Rh2 -","2","0.5","","Yatabe, Takeshi; Kamitakahara, Kazuki; Higashijima, Kaede; Ando, Tatsuya; Matsumoto, Takahiro; Yoon, Ki-Seok; Enomoto, Takao; Ogo, Seiji","Synthesis of acetic acid from CO<sub>2</sub>, CH<sub>3</sub>I and H<sub>2</sub> using a water-soluble electron storage catalyst.","Chemical communications (Cambridge, England)","2021","57","39","4772","4774","10.1039/d1cc01611c","","","0.71073","MoKα","","0.061","0.0501","","","0.1337","0.1405","","","","","","1.081","","","","has coordinates,has disorder","265876","2021-06-05","17:27:16",""
"7128274","8.54","0.003","11.981","0.003","12.495","0.003","96.879","0.005","96.143","0.009","99.625","0.008","1240.8","0.6","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H20 F6 I N5 P Rh -","- C23 H20 F6 I N5 P Rh -","- C46 H40 F12 I2 N10 P2 Rh2 -","2","1","","Yatabe, Takeshi; Kamitakahara, Kazuki; Higashijima, Kaede; Ando, Tatsuya; Matsumoto, Takahiro; Yoon, Ki-Seok; Enomoto, Takao; Ogo, Seiji","Synthesis of acetic acid from CO<sub>2</sub>, CH<sub>3</sub>I and H<sub>2</sub> using a water-soluble electron storage catalyst.","Chemical communications (Cambridge, England)","2021","57","39","4772","4774","10.1039/d1cc01611c","","","0.71075","MoKα","","0.0602","0.0436","","","0.1116","0.1183","","","","","","0.694","","","","has coordinates","265876","2021-06-05","17:27:16",""
"7128275","28.4028","0.0006","25.8252","0.0006","6.40719","0.00018","90","","90","","90","","4699.7","0.2","123","","123","","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C21 H14 F3 N4 O3 Rh S -","- C21 H14 F3 N4 O3 Rh S -","- C168 H112 F24 N32 O24 Rh8 S8 -","8","1","","Yatabe, Takeshi; Kamitakahara, Kazuki; Higashijima, Kaede; Ando, Tatsuya; Matsumoto, Takahiro; Yoon, Ki-Seok; Enomoto, Takao; Ogo, Seiji","Synthesis of acetic acid from CO<sub>2</sub>, CH<sub>3</sub>I and H<sub>2</sub> using a water-soluble electron storage catalyst.","Chemical communications (Cambridge, England)","2021","57","39","4772","4774","10.1039/d1cc01611c","","","0.71073","MoKα","","0.0578","0.0487","","","0.1377","0.144","","","","","","1.035","","","","has coordinates,has disorder","265876","2021-06-05","17:27:16",""
"7128276","16.843","0.011","5.48","0.002","15.129","0.006","90","","111.15","0.02","90","","1302.3","1.1","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","","Wang, Siqi; Miao, Erfei; Wang, Hao; Song, Bichao; Huang, Wei; Yang, Weibo","Rh-Catalyzed cascade C-H activation/C-C cleavage/cyclization of carboxylic acids with cyclopropanols.","Chemical communications (Cambridge, England)","2021","57","48","5929","5932","10.1039/d1cc01778k","","","0.71073","MoKα","","0.1339","0.0997","","","0.2488","0.2709","","","","","","1.17","","","","has coordinates","267034","2021-07-05","16:20:36",""
"7128277","29.694","0.005","10.5922","0.0016","32.967","0.005","90","","90","","90","","10369","3","143.15","","143.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","(N,N-bis(2-(diphenylphosphinomethylamido)phenyl)methylamine)-(dimethyl(phenyl)silyl)-(μ-pyridin-2-yl)-aluminium-rhodium","","- C52 H50 Al N4 P2 Rh Si -","- C52 H50 Al N4 P2 Rh Si -","- C416 H400 Al8 N32 P16 Rh8 Si8 -","8","1","","Hara, Naofumi; Uemura, Nao; Nakao, Yoshiaki","C2-Selective silylation of pyridines by a rhodium-aluminum complex.","Chemical communications (Cambridge, England)","2021","57","48","5957","5960","10.1039/d1cc00278c","","x-ray","0.71075","MoKα","","0.0797","0.0611","","","0.1147","0.1239","","","","","","1.094","","","","has coordinates","267036","2021-07-05","16:21:04",""
"7128278","10.528","0.018","11.89","0.03","20.18","0.03","90.03","0.05","97.48","0.05","105.32","0.05","2414","8","143.15","","143.15","","","","","","","","","6","P -1","-P 1","2","","(η2,η2-bicyclo[2.2.1]hepta-2,5-diene)-(N,N-bis(2-(diphenylphosphinomethylamido)phenyl)methylamine)-(4-dimethylaminopyridine)-aluminium-rhodium","","- C53 H53 Al N5 P2 Rh -","- C53 H53 Al N5 P2 Rh -","- C106 H106 Al2 N10 P4 Rh2 -","2","1","","Hara, Naofumi; Uemura, Nao; Nakao, Yoshiaki","C2-Selective silylation of pyridines by a rhodium-aluminum complex.","Chemical communications (Cambridge, England)","2021","57","48","5957","5960","10.1039/d1cc00278c","","x-ray","0.71075","MoKα","","0.0562","0.0464","","","0.0915","0.0969","","","","","","1.073","","","","has coordinates","267036","2021-07-05","16:21:05",""
"7128279","8.0707","0.0001","18.5864","0.0003","11.3791","0.0002","90","","101.789","0.0006","90","","1670.92","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl N O3 S -","- C18 H16 Cl N O3 S -","- C72 H64 Cl4 N4 O12 S4 -","4","1","","Deng, Yongming; Zhang, Jason; Bankhead, Bradley; Markham, Jonathan P.; Zeller, Matthias","Photoinduced oxidative cyclopropanation of ene-ynamides: synthesis of 3-aza[<i>n</i>.1.0]bicycles <i>via</i> vinyl radicals.","Chemical communications (Cambridge, England)","2021","57","43","5254","5257","10.1039/d1cc02016a","","","1.54178","CuKα","","0.032","0.0307","","","0.0792","0.0801","","","","","","1.043","","","","has coordinates","265862","2021-06-05","17:24:47",""
"7128280","10.2711","0.0002","8.2248","0.0002","21.6325","0.0004","90","","95.3585","0.0006","90","","1819.48","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O3 S -","- C20 H20 Cl N O3 S -","- C80 H80 Cl4 N4 O12 S4 -","4","1","","Deng, Yongming; Zhang, Jason; Bankhead, Bradley; Markham, Jonathan P.; Zeller, Matthias","Photoinduced oxidative cyclopropanation of ene-ynamides: synthesis of 3-aza[<i>n</i>.1.0]bicycles <i>via</i> vinyl radicals.","Chemical communications (Cambridge, England)","2021","57","43","5254","5257","10.1039/d1cc02016a","","","1.54178","CuKα","","0.0348","0.033","","","0.0827","0.0839","","","","","","1.064","","","","has coordinates","265862","2021-06-05","17:24:47",""
"7128281","5.6716","0.0002","13.841","0.0006","22.4239","0.0009","86.8683","0.0017","89.7811","0.0017","89.8515","0.0018","1757.64","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl N O3 S -","- C19 H18 Cl N O3 S -","- C76 H72 Cl4 N4 O12 S4 -","4","2","","Deng, Yongming; Zhang, Jason; Bankhead, Bradley; Markham, Jonathan P.; Zeller, Matthias","Photoinduced oxidative cyclopropanation of ene-ynamides: synthesis of 3-aza[<i>n</i>.1.0]bicycles <i>via</i> vinyl radicals.","Chemical communications (Cambridge, England)","2021","57","43","5254","5257","10.1039/d1cc02016a","","","1.54178","CuKα","","0.0482","0.0425","","","0.0948","0.0978","","","","","","1.135","","","","has coordinates,has disorder","265862","2021-06-05","17:24:47",""
"7128282","10.4364","0.0017","12.3676","0.0018","14.215","0.002","90","","90","","90","","1834.8","0.5","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DM-3-84","","- C22 H17 Cl N2 O -","- C22 H17 Cl N2 O -","- C88 H68 Cl4 N8 O4 -","4","1","","Mondal, Debasmita; Pal, Gargi; Chowdhury, Chinmay","Palladium(0)-catalysed regioselective cyclisations of 2-amino(tosyl) benzamides/sulphonamides: the stereoselective synthesis of 3-ylidene-[1,4]benzodiazepin-5-ones/benzo[<i>f</i>][1,2,5]thiadiazepine-1,1-dioxides.","Chemical communications (Cambridge, England)","2021","57","44","5462","5465","10.1039/d1cc00793a","","","1.54178","CuKα","","0.0351","0.0334","","","0.0823","0.085","","","","","","1.034","","","","has coordinates","265837","2021-06-05","17:17:13",""
"7128283","8.13","0.003","10.804","0.006","12.33","0.005","82.36","0.02","88.815","0.012","80.34","0.02","1058.2","0.8","273","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C48 H44 N4 O6 S2 -","2","1","","Mondal, Debasmita; Pal, Gargi; Chowdhury, Chinmay","Palladium(0)-catalysed regioselective cyclisations of 2-amino(tosyl) benzamides/sulphonamides: the stereoselective synthesis of 3-ylidene-[1,4]benzodiazepin-5-ones/benzo[<i>f</i>][1,2,5]thiadiazepine-1,1-dioxides.","Chemical communications (Cambridge, England)","2021","57","44","5462","5465","10.1039/d1cc00793a","","","0.71073","MoKα","","0.0626","0.0475","","","0.1193","0.1318","","","","","","1.077","","","","has coordinates","265837","2021-06-05","17:17:13",""
"7128284","9.4643","0.0006","18.163","0.0012","10.9267","0.0007","90","","113.234","0.002","90","","1725.97","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Mondal, Debasmita; Pal, Gargi; Chowdhury, Chinmay","Palladium(0)-catalysed regioselective cyclisations of 2-amino(tosyl) benzamides/sulphonamides: the stereoselective synthesis of 3-ylidene-[1,4]benzodiazepin-5-ones/benzo[<i>f</i>][1,2,5]thiadiazepine-1,1-dioxides.","Chemical communications (Cambridge, England)","2021","57","44","5462","5465","10.1039/d1cc00793a","","","1.54178","CuKα","","0.04","0.0396","","","0.1006","0.101","","","","","","1.093","","","","has coordinates","265837","2021-06-05","17:17:13",""
"7128285","15.9293","0.0011","8.0486","0.0005","16.3016","0.0011","90","","103.033","0.004","90","","2036.2","0.2","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N O2 S -","- C11 H10 N O2 S -","- C88 H80 N8 O16 S8 -","8","2","","Mondal, Debasmita; Pal, Gargi; Chowdhury, Chinmay","Palladium(0)-catalysed regioselective cyclisations of 2-amino(tosyl) benzamides/sulphonamides: the stereoselective synthesis of 3-ylidene-[1,4]benzodiazepin-5-ones/benzo[<i>f</i>][1,2,5]thiadiazepine-1,1-dioxides.","Chemical communications (Cambridge, England)","2021","57","44","5462","5465","10.1039/d1cc00793a","","","1.54184","CuKα","","0.067","0.0667","","","0.1408","0.141","","","","","","1.274","","","","has coordinates","265837","2021-06-05","17:17:13",""
"7128286","6.7868","0.0003","24.2929","0.001","6.8686","0.0003","90","","102.298","0.002","90","","1106.45","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2","2-pentafluorophenylindene","","- C15 H7 F5 -","- C15 H7 F5 -","- C60 H28 F20 -","4","1","","Hasenbeck, Max; Wech, Felix; Averdunk, Arthur; Becker, Jonathan; Gellrich, Urs","Indene formation upon borane-induced cyclization of arylallenes, 1,1-carboboration, and retro-hydroboration.","Chemical communications (Cambridge, England)","2021","57","45","5518","5521","10.1039/d1cc01750k","","","0.71073","MoKα","","0.0563","0.0381","","","0.098","0.1118","","","","","","1.065","","","","has coordinates,has disorder","265898","2021-06-05","17:32:34",""
"7128287","22.0147","0.0002","4.4172","0.0001","31.4419","0.0004","90","","98.588","0.001","90","","3023.23","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","2","","Bennett, Ryan M.; Sun, Wei; Wilson, Dharyl C.; Light, Mark E.; Harrowven, David C.","A new mode of cyclobutenedione ring opening for the synthesis of 2-oxobut-3-enamides and tetrasubstituted furans.","Chemical communications (Cambridge, England)","2021","57","46","5694","5697","10.1039/d1cc02097h","","x-ray","1.54184","CuKα","","0.0537","0.0454","","","0.115","0.1211","","","","","","1.03","","","","has coordinates","267017","2021-07-05","16:16:32",""
"7128288","14.7511","0.0002","10.2609","0.0001","12.1428","0.0002","90","","95.817","0.001","90","","1828.46","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Br N2 O3 -","- C18 H25 Br N2 O3 -","- C72 H100 Br4 N8 O12 -","4","1","","Bennett, Ryan M.; Sun, Wei; Wilson, Dharyl C.; Light, Mark E.; Harrowven, David C.","A new mode of cyclobutenedione ring opening for the synthesis of 2-oxobut-3-enamides and tetrasubstituted furans.","Chemical communications (Cambridge, England)","2021","57","46","5694","5697","10.1039/d1cc02097h","","x-ray","0.71073","MoKα","K-L~3~","0.0516","0.038","","","0.0751","0.0801","","","","","","1.056","","","","has coordinates","267017","2021-07-05","16:16:33",""
"7128289","6.0189","0.0003","10.6268","0.0006","14.7651","0.0006","70.26","0.004","88.043","0.004","78.758","0.004","871.33","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H30 N2 O3 -","- C16 H30 N2 O3 -","- C32 H60 N4 O6 -","2","1","","Bennett, Ryan M.; Sun, Wei; Wilson, Dharyl C.; Light, Mark E.; Harrowven, David C.","A new mode of cyclobutenedione ring opening for the synthesis of 2-oxobut-3-enamides and tetrasubstituted furans.","Chemical communications (Cambridge, England)","2021","57","46","5694","5697","10.1039/d1cc02097h","","x-ray","0.71073","MoKα","K-L~3~","0.0634","0.0482","","","0.129","0.1367","","","","","","1.05","","","","has coordinates","267017","2021-07-05","16:16:33",""
"7128290","10.6332","0.0003","17.0344","0.0004","13.7271","0.0003","90","","109.336","0.001","90","","2346.14","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C120 H104 O16 -","4","1","","Zhou, Liejin; Liu, Lu","Highly enantioselective tandem cycloisomerization/Diels-Alder reaction of 2-(1-alkynyl)-2-alken-1-ones and enals: dual catalysis with platinum and amines.","Chemical communications (Cambridge, England)","2021","57","46","5690","5693","10.1039/d1cc02080c","","","1.54178","CuKα","","0.0397","0.0391","","","0.1081","0.1087","","","","","","1.063","","","","has coordinates","267016","2021-07-05","16:16:24",""
"7128291","9.5167","0.0014","11.0235","0.0017","13.535","0.002","94.069","0.011","97.179","0.01","99.905","0.011","1381.6","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Cl N O -","- C33 H22 Cl N O -","- C66 H44 Cl2 N2 O2 -","2","1","","Kundu, Samrat; Banerjee, Ankush; Pal, Shyam Chand; Ghosh, Meghna; Maji, Modhu Sudan","Cascade annulative π-extension for the rapid construction of carbazole based polyaromatic hydrocarbons.","Chemical communications (Cambridge, England)","2021","57","47","5762","5765","10.1039/d1cc00668a","","","0.71073","MoKα","","0.2816","0.0845","","","0.1889","0.2585","","","","","","0.741","","","","has coordinates","267030","2021-07-05","16:19:49",""
"7128292","10.249","0.004","10.824","0.006","11.279","0.004","80.26","0.013","67.268","0.013","85.1","0.02","1137.1","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N O -","- C34 H23 N O -","- C68 H46 N2 O2 -","2","1","","Kundu, Samrat; Banerjee, Ankush; Pal, Shyam Chand; Ghosh, Meghna; Maji, Modhu Sudan","Cascade annulative π-extension for the rapid construction of carbazole based polyaromatic hydrocarbons.","Chemical communications (Cambridge, England)","2021","57","47","5762","5765","10.1039/d1cc00668a","","","0.71073","MoKα","","0.1253","0.0613","","","0.1497","0.2084","","","","","","1.054","","","","has coordinates","267030","2021-07-05","16:19:49",""
"7128293","16.09","0.03","5.262","0.013","23.54","0.05","90","","96.07","0.02","90","","1982","7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 N -","- C33 H19 N -","- C132 H76 N4 -","4","1","","Kundu, Samrat; Banerjee, Ankush; Pal, Shyam Chand; Ghosh, Meghna; Maji, Modhu Sudan","Cascade annulative π-extension for the rapid construction of carbazole based polyaromatic hydrocarbons.","Chemical communications (Cambridge, England)","2021","57","47","5762","5765","10.1039/d1cc00668a","","","0.71073","MoKα","","0.1462","0.0624","","","0.151","0.1961","","","","","","1.029","","","","has coordinates","267030","2021-07-05","16:19:49",""
"7128294","29.4033","0.0013","34.6034","0.0015","9.5921","0.0005","90","","90","","90","","9759.5","0.8","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C34 H25 N O -","- C34 H25 N O -","- C544 H400 N16 O16 -","16","1","","Kundu, Samrat; Banerjee, Ankush; Pal, Shyam Chand; Ghosh, Meghna; Maji, Modhu Sudan","Cascade annulative π-extension for the rapid construction of carbazole based polyaromatic hydrocarbons.","Chemical communications (Cambridge, England)","2021","57","47","5762","5765","10.1039/d1cc00668a","","","0.71073","MoKα","","0.1599","0.0686","","","0.1718","0.2219","","","","","","0.972","","","","has coordinates","267030","2021-07-05","16:19:49",""
"7128295","16.6969","0.0008","10.4621","0.0005","18.3","0.0008","90","","99.112","0.002","90","","3156.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 P2 Ti -","- C37 H44 P2 Ti -","- C148 H176 P8 Ti4 -","4","1","","Fischer, Malte; Reiß, Fabian; Hering-Junghans, Christian","Titanocene pnictinidene complexes.","Chemical communications (Cambridge, England)","2021","57","46","5626","5629","10.1039/d1cc01305j","","","1.54178","CuKα","","0.0321","0.0311","","","0.0854","0.087","","","","","","1.057","","","","has coordinates","267019","2021-07-05","16:16:54",""
"7128296","17.7808","0.0005","19.3646","0.0005","21.7658","0.0005","79.424","0.002","81.436","0.002","89.781","0.002","7282.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H74.67 As P Ti -","- C43 H56 As P Ti -","- C258 H336 As6 P6 Ti6 -","6","3","","Fischer, Malte; Reiß, Fabian; Hering-Junghans, Christian","Titanocene pnictinidene complexes.","Chemical communications (Cambridge, England)","2021","57","46","5626","5629","10.1039/d1cc01305j","","","1.54178","CuKα","","0.0711","0.0505","","","0.1275","0.1423","","","","","","1.025","","","","has coordinates,has disorder","267019","2021-07-05","16:16:54",""
"7128297","13.2848","0.001","14.6046","0.0012","16.1967","0.0013","97.9377","0.0029","97.4838","0.0028","96.5107","0.0029","3058.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H86 As2 P0 -","- C72 H86 As2 -","- C144 H172 As4 -","2","1","","Fischer, Malte; Reiß, Fabian; Hering-Junghans, Christian","Titanocene pnictinidene complexes.","Chemical communications (Cambridge, England)","2021","57","46","5626","5629","10.1039/d1cc01305j","","","0.71073","MoKα","","0.037","0.0297","","","0.0761","0.08","","","","","","1.036","","","","has coordinates,has disorder","267019","2021-07-05","16:16:54",""
"7128298","21.4486","0.0015","14.9005","0.001","16.023","0.0011","90","","95.227","0.0013","90","","5099.6","0.6","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 As2 -","- C60 H74 As2 -","- C240 H296 As8 -","4","0.5","","Fischer, Malte; Reiß, Fabian; Hering-Junghans, Christian","Titanocene pnictinidene complexes.","Chemical communications (Cambridge, England)","2021","57","46","5626","5629","10.1039/d1cc01305j","","","0.71073","MoKα","","0.0479","0.0315","","","0.0758","0.0836","","","","","","1.024","","","","has coordinates","267019","2021-07-05","16:16:54",""
"7128299","17.1874","0.0005","7.5058","0.0003","37.0743","0.0018","90","","90","","90","","4782.8","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H23 N O2 -","- C36 H23 N O2 -","- C288 H184 N8 O16 -","8","1","","Wang, Yali; Jiang, Haiyan; Liu, Xueling; Xu, Jun; Gao, Yan; Finney, Nathaniel S.","A palate of fluorescent corannulene derivatives: synthesis, spectroscopic properties, and bio-imaging application.","Chemical communications (Cambridge, England)","2021","57","47","5818","5821","10.1039/d1cc02307a","","x-ray","1.54184","CuKα","","0.077","0.0573","","","0.1464","0.1606","","","","","","1.049","","","","has coordinates","267031","2021-07-05","16:20:01",""
"7128300","9.1567","0.0001","7.7528","0.0001","34.6394","0.0003","90","","91.116","0.001","90","","2458.59","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H25 B F2 N2 -","- C34 H25 B F2 N2 -","- C136 H100 B4 F8 N8 -","4","1","","Wang, Yali; Jiang, Haiyan; Liu, Xueling; Xu, Jun; Gao, Yan; Finney, Nathaniel S.","A palate of fluorescent corannulene derivatives: synthesis, spectroscopic properties, and bio-imaging application.","Chemical communications (Cambridge, England)","2021","57","47","5818","5821","10.1039/d1cc02307a","","x-ray","1.54184","CuKα","","0.0443","0.0414","","","0.1074","0.1096","","","","","","1.039","","","","has coordinates","267031","2021-07-05","16:20:01",""
"7128301","7.7592","0.0002","11.1022","0.0003","14.1866","0.0004","90","","90","","90","","1222.09","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C1.5 H4.5 I1.5 O0.5 Pb0.5 S0.5 -","- C1.5 H4.5 I1.5 O0.5 Pb0.5 S0.5 -","- C12 H36 I12 O4 Pb4 S4 -","8","1","","Tanaka, Yuki; Bai, Shiqiang; Wang, Xizu; Tee, Si Yin; Lim, Siew Lay; Ke, Lin; Dolmanan, Surani B.; Lee, Coryl Jing Jun; Lim, Poh Chong; Yao, Xiang; Wu, Jishan; Han, Ming-Yong","Synthesis and optical and electronic properties of one-dimensional sulfoxonium-based hybrid metal halide (CH<sub>3</sub>)<sub>3</sub>SOPbI<sub>3</sub>.","Chemical communications (Cambridge, England)","2021","57","47","5790","5793","10.1039/d1cc01386f","","","0.71073","MoKα","","0.026","0.0225","","","0.0458","0.0471","","","","","","1.155","","","","has coordinates","267028","2021-07-05","16:19:24",""
"7128302","13.5937","0.0009","17.9179","0.0012","11.5204","0.0007","90","","100.389","0.006","90","","2760","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C54 H48 N6 O10 -","- C54 H46 N6 O10 -","- C108 H92 N12 O20 -","2","0.25","","Luo, Yang-Hui; Zhang, Lan; Fang, Wen-Xia; Ma, Shu-Hua; Dong, Hui; Su, Shan; Zheng, Zi-Yue; Li, Di-Ning; Zhai, Li-Hai","2D hydrogen-bonded organic frameworks: in-site generation and subsequent exfoliation.","Chemical communications (Cambridge, England)","2021","57","48","5901","5904","10.1039/d1cc01626a","","","1.54184","CuKα","","0.1647","0.1565","","","0.4304","0.4569","","","","","","2.212","","","","has coordinates","267037","2021-07-05","16:21:12",""
"7128303","13.3968","0.0004","18.0672","0.0004","11.3731","0.0003","90","","100.927","0.003","90","","2702.87","0.13","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C54 H52 N6 O12 -","- C54 H52 N6 O12 -","- C108 H104 N12 O24 -","2","0.25","","Luo, Yang-Hui; Zhang, Lan; Fang, Wen-Xia; Ma, Shu-Hua; Dong, Hui; Su, Shan; Zheng, Zi-Yue; Li, Di-Ning; Zhai, Li-Hai","2D hydrogen-bonded organic frameworks: in-site generation and subsequent exfoliation.","Chemical communications (Cambridge, England)","2021","57","48","5901","5904","10.1039/d1cc01626a","","","1.54178","CuKα","","0.1744","0.1695","","","0.4806","0.496","","","","","","2.495","","","","has coordinates","267037","2021-07-05","16:21:13",""
"7128304","11.134","0.003","13.954","0.003","15.979","0.004","84.307","0.007","74.689","0.006","79.427","0.007","2350.4","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cd N O S -","- C5.52381 H4.09524 Cd0.0952381 N0.285714 O0.666667 S0.0952381 -","- C116 H86 Cd2 N6 O14 S2 -","21","10.5","","Mir, Mohammad Hedayetullah; Bera, Sambhunath; Khan, Samim; Maity, Suvendu; Sinha, Chittaranjan; Dutta, Basudeb","Sunlight assisted SCSC dimerization of a 1D coordination polymer impacts the selectivity of Pd(II) sensing in water.","Chemical communications (Cambridge, England)","2021","57","50","6197","6200","10.1039/d1cc02121d","","","0.71073","MoKα","","0.1338","0.1249","","","0.361","0.3767","","","","","","2.599","","","","has coordinates","267026","2021-07-05","16:19:07",""
"7128305","11.0879","0.0019","13.986","0.002","15.953","0.003","83.286","0.005","73.056","0.005","79.719","0.005","2323","0.7","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 Cd N3 O7 S -","- C58 H46 Cd N3 O7 S -","- C116 H92 Cd2 N6 O14 S2 -","2","1","","Mir, Mohammad Hedayetullah; Bera, Sambhunath; Khan, Samim; Maity, Suvendu; Sinha, Chittaranjan; Dutta, Basudeb","Sunlight assisted SCSC dimerization of a 1D coordination polymer impacts the selectivity of Pd(II) sensing in water.","Chemical communications (Cambridge, England)","2021","57","50","6197","6200","10.1039/d1cc02121d","","","0.71073","MoKα","","0.0982","0.0821","","","0.21","0.2367","","","","","","1.036","","","","has coordinates","267026","2021-07-05","16:19:08",""
"7128306","21.9888","0.0009","17.1848","0.0006","10.7513","0.0004","90","","117.164","0.003","90","","3614.5","0.3","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C74 H106 Al6 As4 -","- C67 H98 Al6 As4 -","- C134 H196 Al12 As8 -","2","0.25","","Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","Reactivity of mono- and divalent aluminium compounds towards group 15 nanoparticles.","Chemical communications (Cambridge, England)","2021","57","45","5503","5506","10.1039/d1cc01475g","","x-ray","0.71073","MoKα","","0.0524","0.0386","","","0.0988","0.1063","","","","","","1.024","","","","has coordinates,has disorder","265900","2021-06-05","17:32:54",""
"7128307","18.8354","0.001","18.8354","0.001","8.3709","0.0006","90","","90","","120","","2571.9","0.3","150","","150","","","","","","","","","5","R 3 :H","R 3","146","","","","- C30 H45 Al3 As I3 -","- C30 H45 Al3 As I3 -","- C90 H135 Al9 As3 I9 -","3","0.333333","","Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","Reactivity of mono- and divalent aluminium compounds towards group 15 nanoparticles.","Chemical communications (Cambridge, England)","2021","57","45","5503","5506","10.1039/d1cc01475g","","x-ray","0.71073","MoKα","","0.0231","0.0209","","","0.0473","0.0476","","","","","","1.069","","","","has coordinates","265900","2021-06-05","17:32:54",""
"7128308","11.3402","0.0004","16.7244","0.0007","18.6143","0.0008","95.614","0.003","90.722","0.003","108.785","0.003","3322.6","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H45 Al3 As Br3 -","- C30 H45 Al3 As Br3 -","- C120 H180 Al12 As4 Br12 -","4","2","","Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","Reactivity of mono- and divalent aluminium compounds towards group 15 nanoparticles.","Chemical communications (Cambridge, England)","2021","57","45","5503","5506","10.1039/d1cc01475g","","x-ray","0.71073","MoKα","","0.0791","0.0476","","","0.1123","0.1291","","","","","","1.015","","","","has coordinates","265900","2021-06-05","17:32:54",""
"7128309","31.0554","0.001","17.2141","0.0004","13.6117","0.0003","90","","90","","90","","7276.7","0.3","100","","100","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C72 H102 Al7 As5 -","- C72 H102 Al7 As5 -","- C288 H408 Al28 As20 -","4","0.5","","Hauser, Adrian; Münzfeld, Luca; Roesky, Peter W.","Reactivity of mono- and divalent aluminium compounds towards group 15 nanoparticles.","Chemical communications (Cambridge, England)","2021","57","45","5503","5506","10.1039/d1cc01475g","","x-ray","0.71073","MoKα","","0.0556","0.0337","","","0.0652","0.0722","","","","","","1.023","","","","has coordinates,has disorder","265900","2021-06-05","17:32:54",""
"7128310","9.4482","0.0004","12.6347","0.0004","5.7085","0.0002","90","","110.407","0.003","90","","638.68","0.04","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","Triglycine sulfate","","","- C6 H17 N3 O10 S -","- C6 H17 N3 O10 S -","- C12 H34 N6 O20 S2 -","2","1","","Kawasaki, Tsuneomi; Kaimori, Yoshiyasu; Shimada, Seiya; Hara, Natsuki; Sato, Susumu; Suzuki, Kenta; Asahi, Toru; Matsumoto, Arimasa; Soai, Kenso","Asymmetric autocatalysis triggered by triglycine sulfate with switchable chirality by altering the direction of the applied electric field.","Chemical communications (Cambridge, England)","2021","57","49","5999","6002","10.1039/d1cc02162a","","","0.71073","MoKα","","0.026","0.0243","","","0.0647","0.0656","","","","","","1.055","","","","has coordinates","267042","2021-07-05","16:22:51",""
"7128311","9.4396","0.0004","12.6268","0.0004","5.6979","0.0002","90","","110.395","0.003","90","","636.57","0.04","100","","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Triglycine sulfate","","","- C6 H17 N3 O10 S -","- C6 H17 N3 O10 S -","- C12 H34 N6 O20 S2 -","2","1","","Kawasaki, Tsuneomi; Kaimori, Yoshiyasu; Shimada, Seiya; Hara, Natsuki; Sato, Susumu; Suzuki, Kenta; Asahi, Toru; Matsumoto, Arimasa; Soai, Kenso","Asymmetric autocatalysis triggered by triglycine sulfate with switchable chirality by altering the direction of the applied electric field.","Chemical communications (Cambridge, England)","2021","57","49","5999","6002","10.1039/d1cc02162a","","","0.71073","MoKα","","0.0319","0.0295","","","0.0751","0.077","","","","","","1.052","","","","has coordinates","267042","2021-07-05","16:22:52",""
"7128312","13.6224","0.0009","16.1549","0.001","22.493","0.0016","90","","105.752","0.003","90","","4764.1","0.6","140","2","140","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48.97 B Cl Co Fe N13 O8 -","- C42 H48.96 B Cl Co Fe N13 O8 -","- C168 H195.84 B4 Cl4 Co4 Fe4 N52 O32 -","4","1","","Yadav, Jyoti; Mondal, Dibya Jyoti; Konar, Sanjit","High-temperature electron transfer coupled spin transition (ETCST) with hysteresis in a discrete [Fe<sub>2</sub>Co<sub>2</sub>] Prussian blue analogue.","Chemical communications (Cambridge, England)","2021","57","48","5925","5928","10.1039/d1cc01160j","","","0.71073","MoKα","","0.1005","0.0546","","","0.0866","0.0993","","","","","","1.053","","","","has coordinates,has disorder","267033","2021-07-05","16:20:30",""
"7128313","23.1444","0.0016","18.7701","0.0009","17.1873","0.0008","90","","110.277","0.002","90","","7003.8","0.7","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64.33 H73.45 B2 Cl2.48 F6 Fe N4 O5.4 P3 -","- C64.328 H73.45 B2 Cl2.48 F6 Fe N4 O5.397 P3 -","- C257.312 H293.8 B8 Cl9.92 F24 Fe4 N16 O21.588 P12 -","4","1","","Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.","Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.","Chemical communications (Cambridge, England)","2021","57","46","5718","5721","10.1039/d1cc01407b","","","0.71073","MoKα","","0.1219","0.0672","","","0.1751","0.2202","","","","","","1.019","","","","has coordinates,has disorder","267020","2021-07-05","16:17:12",""
"7128314","19.7052","0.0003","7.9644","0.0001","22.605","0.0003","90","","100.994","0.001","90","","3482.52","0.08","85","2","85","2","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C38 H34 Cl2 Fe N2 O P2 -","- C38 H34 Cl2 Fe N2 O P2 -","- C152 H136 Cl8 Fe4 N8 O4 P8 -","4","1","","Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.","Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.","Chemical communications (Cambridge, England)","2021","57","46","5718","5721","10.1039/d1cc01407b","","","1.54178","CuKα","","0.0307","0.0302","","","0.0807","0.0814","","","","","","1.032","","","","has coordinates","267020","2021-07-05","16:17:15",""
"7128315","15.2634","0.0003","20.6508","0.0004","24.3094","0.0003","85.532","0.001","81.354","0.001","82.679","0.002","7500","0.2","85","2","85","2","","","","","","","","9","P -1","-P 1","2","","","","- C157.51 H154.77 Br0.87 Cl2.13 F18 Fe3 N13 O4.38 P9 -","- C157.508 H154.77 Br0.875 Cl2.125 F18 Fe3 N13 O4.377 P9 -","- C315.016 H309.54 Br1.75 Cl4.25 F36 Fe6 N26 O8.754 P18 -","2","1","","Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.","Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.","Chemical communications (Cambridge, England)","2021","57","46","5718","5721","10.1039/d1cc01407b","","","1.54178","CuKα","","0.0742","0.061","","","0.1543","0.1673","","","","","","1.022","","","","has coordinates,has disorder","267020","2021-07-05","16:17:15",""
"7128316","19.7512","0.0002","18.6528","0.0001","17.5182","0.0002","90","","114.124","0.001","90","","5890.3","0.11","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60.45 H66.79 Cl F6 Fe N4.67 O1.28 P3 -","- C60.448 H66.788 Cl F6 Fe N4.666 O1.279 P3 -","- C241.792 H267.152 Cl4 F24 Fe4 N18.664 O5.116 P12 -","4","1","","Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.","Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.","Chemical communications (Cambridge, England)","2021","57","46","5718","5721","10.1039/d1cc01407b","","","1.54178","CuKα","","0.0424","0.041","","","0.1107","0.1121","","","","","","1.062","","","","has coordinates,has disorder","267020","2021-07-05","16:17:15",""
"7128317","18.042","0.0002","18.7721","0.0002","17.1927","0.0002","90","","112.116","0.001","90","","5394.5","0.11","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54.09 H47.75 Cl F12 Fe N4.73 O1.16 P3 -","- C54.088 H47.752 Cl F12 Fe N4.734 O1.155 P3 -","- C216.352 H191.008 Cl4 F48 Fe4 N18.936 O4.62 P12 -","4","1","","Taher, Deeb; Wilson, Jessica R.; Ritch, Grayson; Zeller, Matthias; Szymczak, Nathaniel K.","Late-stage ligand functionalization <i>via</i> the Staudinger reaction using phosphine-appended 2,2'-bipyridine.","Chemical communications (Cambridge, England)","2021","57","46","5718","5721","10.1039/d1cc01407b","","","1.54178","CuKα","","0.0491","0.0441","","","0.1184","0.1242","","","","","","1.062","","","","has coordinates,has disorder","267020","2021-07-05","16:17:15",""
"7128318","18.7088","0.0007","16.0003","0.0007","26.2937","0.0012","90","","95.453","0.004","90","","7835.3","0.6","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H144 Au8 N2 P8 -","- C164 H144 Au8 N2 P8 -","- C328 H288 Au16 N4 P16 -","2","0.5","","Yang, Biao; Wu, Han; Zhao, Liang","Photoluminescence enhancement by controllable aggregation and polymerization of octanuclear gold clusters.","Chemical communications (Cambridge, England)","2021","57","47","5770","5773","10.1039/d1cc01162f","","x-ray","1.54184","CuKα","","0.2187","0.1457","","","0.2994","0.3487","","","","","","1.064","","","","has coordinates","267029","2021-07-05","16:19:36",""
"7128319","17.5317","0.0003","19.3738","0.0003","20.9396","0.0003","88.829","0.001","71.633","0.001","70.71","0.001","6343.14","0.18","172.99","0.1","172.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C124 H116 Au8 N2 P8 -","- C124 H116 Au8 N2 P8 -","- C248 H232 Au16 N4 P16 -","2","1","","Yang, Biao; Wu, Han; Zhao, Liang","Photoluminescence enhancement by controllable aggregation and polymerization of octanuclear gold clusters.","Chemical communications (Cambridge, England)","2021","57","47","5770","5773","10.1039/d1cc01162f","","x-ray","1.54184","CuKα","","0.0908","0.0795","","","0.2134","0.2265","","","","","","1.021","","","","has coordinates","267029","2021-07-05","16:19:36",""
"7128320","37.3667","0.0005","37.3667","0.0005","4.75497","0.00013","90","","90","","90","","6639.2","0.2","293","2","293","2","","","","","","","","7","I 41","I 4bw","80","","","","- C20 H32 Cl Cu N4 O6 S2 -","- C20 H32 Cl Cu N4 O6 S2 -","- C160 H256 Cl8 Cu8 N32 O48 S16 -","8","1","","Luo, Bi; Chen, Liguang; Hong, Zhaoguo; You, Xin; Huang, Fu-Ping; Bian, He-Dong; Zhang, Liangliang; Zhao, Shulin","A simple and feasible atom-precise biotinylated Cu(i) complex for tumor-targeted chemodynamic therapy.","Chemical communications (Cambridge, England)","2021","57","49","6046","6049","10.1039/d1cc00515d","","x-ray","0.71073","MoKα","","0.097","0.0706","","","0.1961","0.222","","","","","","1.064","","","","has coordinates,has disorder","267041","2021-07-05","16:22:45",""
"7128321","21.2553","0.0016","21.2553","0.0016","21.2553","0.0016","90","","90","","90","","9602.9","1.3","253","2","253","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","catena-[bis(m-hydroxo)-bis(m-oxo)-tris(m-terephthalato)-tri-Thulium]","","- C24 H12 O16 Tm3 -","- C24 H12 O16 Tm3 -","- C192 H96 O128 Tm24 -","8","0.0416667","","Donnarumma, P. Rafael; Frojmovic, Sahara; Marino, Paola; Bicalho, Hudson A.; Titi, Hatem M.; Howarth, Ashlee J.","Synthetic approaches for accessing rare-earth analogues of UiO-66.","Chemical communications (Cambridge, England)","2021","57","50","6121","6124","10.1039/d1cc01552d","","","1.54178","CuKα","","0.0433","0.0369","","","0.095","0.1065","","","","","","1.091","","","","has coordinates","267027","2021-07-05","16:19:18",""
"7128322","33.177","0.0009","10.4724","0.0003","22.8239","0.0006","90","","100.412","0.003","90","","7799.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H60 B10 N4 O2.5 P Si -","- C29 H60 B10 N4 O2.5 P Si -","- C232 H480 B80 N32 O20 P8 Si8 -","8","2","","Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias","Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","48","5965","5968","10.1039/d1cc01939b","","","1.54184","CuKα","","0.1325","0.0668","","","0.1418","0.1823","","","","","","1.027","","","","has coordinates","267035","2021-07-05","16:20:54",""
"7128323","19.7759","0.0005","9.9587","0.0002","37.0968","0.0011","90","","98.741","0.002","90","","7221.1","0.3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C27 H55 B10 N4 O P Si -","- C27 H55 B10 N4 O P Si -","- C216 H440 B80 N32 O8 P8 Si8 -","8","1","","Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias","Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","48","5965","5968","10.1039/d1cc01939b","","","1.54184","CuKα","","0.062","0.0448","","","0.1135","0.1277","","","","","","1.02","","","","has coordinates","267035","2021-07-05","16:20:54",""
"7128324","16.6462","0.0007","15.4729","0.0005","16.1445","0.0007","90","","117.67","0.006","90","","3682.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H55 B10 N4 O3 P Si -","- C28 H55 B10 N4 O3 P Si -","- C112 H220 B40 N16 O12 P4 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias","Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","48","5965","5968","10.1039/d1cc01939b","","","1.54184","CuKα","","0.0746","0.0523","","","0.1333","0.1546","","","","","","1.027","","","","has coordinates,has disorder","267035","2021-07-05","16:20:54",""
"7128325","15.43","0.0002","20.2433","0.0002","14.5257","0.0002","90","","96.073","0.001","90","","4511.7","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H64 B10 N4 O2 Si2 -","- C39 H64 B10 N4 O2 Si2 -","- C156 H256 B40 N16 O8 Si8 -","4","0.5","","Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias","Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","48","5965","5968","10.1039/d1cc01939b","","","1.54184","CuKα","","0.0466","0.0447","","","0.1232","0.1257","","","","","","1.052","","","","has coordinates,has disorder","267035","2021-07-05","16:20:54",""
"7128326","9.7706","0.0002","22.3265","0.0004","17.6158","0.0004","90","","103.718","0.002","90","","3733.15","0.14","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H55 B10 N4 O3 P Si -","- C28 H55 B10 N4 O3 P Si -","- C112 H220 B40 N16 O12 P4 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Ruzicka, Ales; Driess, Matthias","Distinctly different reactivity of bis(silylenyl)-<i>versus</i> phosphanyl-silylenyl-substituted <i>o</i>-dicarborane towards O<sub>2</sub>, N<sub>2</sub>O and CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","48","5965","5968","10.1039/d1cc01939b","","","1.54184","CuKα","","0.0601","0.0423","","","0.1013","0.1147","","","","","","1.023","","","","has coordinates","267035","2021-07-05","16:20:54",""
"7128327","7.89131","0.00005","11.97867","0.00007","16.9967","0.00009","90","","90","","90","","1606.65","0.016","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2?-methylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0253","0.0249","","","0.0647","0.0651","","","","","","1.056","","","","has coordinates","267032","2021-07-05","16:20:17",""
"7128328","8.2374","0.0002","12.4665","0.0002","13.7074","0.0003","64.328","0.002","88.439","0.002","86.714","0.002","1266.59","0.05","99.97","0.1","99.97","0.1","","","","","","","","4","P 1","P 1","1","","(2?,4?-dichlorophenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C15 H20 Cl2 O5 -","- C15 H20 Cl2 O5 -","- C45 H60 Cl6 O15 -","3","3","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.022","0.0218","","","0.0573","0.0574","","","","","","1.021","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128329","7.7564","0.0002","13.7188","0.0004","25.4041","0.0008","90","","97.463","0.003","90","","2680.31","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","(2?-methylphenyl)-6-O-triisopropylsilyl-2,3,4-tri-O-methyl-α-D-mannopyranoside","","- C25 H44 O6 Si -","- C25 H44 O6 Si -","- C100 H176 O24 Si4 -","4","2","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0555","0.0531","","","0.1505","0.1523","","","","","","1.126","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128330","10.18301","0.0001","13.55501","0.00011","13.69931","0.00014","90","","90","","90","","1890.93","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2?-t-butylphenyl)-α-L-rhamnopyranoside","","- C19 H28 O6 -","- C19 H28 O6 -","- C76 H112 O24 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0284","0.0271","","","0.0666","0.0679","","","","","","1.05","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128331","7.71828","0.00006","13.89043","0.0001","17.59797","0.00013","90","","90","","90","","1886.68","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2?-t-butylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.029","0.0279","","","0.0701","0.0708","","","","","","1.036","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128332","7.72846","0.00011","13.3986","0.0002","17.3987","0.0003","90","","90","","90","","1801.64","0.05","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","S-5 (2?-isopropylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C18 H28 O5 -","- C18 H28 O5 -","- C72 H112 O20 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0422","0.0409","","","0.1013","0.1025","","","","","","1.037","","","","has coordinates,has disorder","267032","2021-07-05","16:20:18",""
"7128333","23.99","0.02","38.69","0.04","5.573","0.006","90","","90","","90","","5173","9","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 -","- C16 H15 N3 -","- C256 H240 N48 -","16","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1527","0.071","","","0.1542","0.1794","","","","","","1.047","","","","has coordinates,has disorder","267021","2021-07-05","16:18:05",""
"7128334","9.464","0.003","7.518","0.002","12.116","0.003","90","","92.972","0.013","90","","860.9","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C40 H46 N6 -","2","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0541","0.0369","","","0.0785","0.0822","","","","","","0.967","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128335","11.0959","0.0005","15.0897","0.0007","16.0556","0.0006","90","","90","","90","","2688.3","0.2","149","2","149","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F N3 -","- C16 H14 F N3 -","- C128 H112 F8 N24 -","8","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0425","0.0335","","","0.0777","0.0805","","","","","","1.033","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128336","8.704","0.003","15.441","0.005","12.626","0.004","90","","91.212","0.017","90","","1696.5","1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N5 -","- C19 H19 N5 -","- C76 H76 N20 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.104","0.0574","","","0.131","0.1509","","","","","","1.038","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128337","11.11","0.007","12.493","0.009","14.899","0.012","75.149","0.018","73.5","0.02","87.94","0.04","1915","2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H23 N3 -","- C24 H23 N3 -","- C96 H92 N12 -","4","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.2094","0.0704","","","0.1076","0.1326","","","","","","0.895","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128338","8.327","0.007","14.46","0.01","29.68","0.02","90","","93.26","0.03","90","","3568","5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C168 H200 N24 O8 -","8","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1933","0.1096","","","0.2428","0.2983","","","","","","1.152","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128339","12.944","0.004","9.04","0.004","14.465","0.005","90","","100.393","0.012","90","","1664.8","1.1","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 -","- C20 H23 N3 -","- C80 H92 N12 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0729","0.0462","","","0.1348","0.1448","","","","","","1.1","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128340","22.126","0.007","22.131","0.006","17.067","0.005","90","","91.565","0.013","90","","8354","4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C400 H400 N48 -","16","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1502","0.084","","","0.2117","0.2441","","","","","","1.054","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128341","6.907","0.003","10.401","0.004","12.709","0.004","102.837","0.012","102.334","0.013","99.423","0.014","848","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 Cl2 N5 -","- C17 H15 Cl2 N5 -","- C34 H30 Cl4 N10 -","2","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0693","0.0452","","","0.1157","0.1261","","","","","","1.079","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128342","7.9028","0.0007","12.5696","0.0008","20.7598","0.0018","90","","95.571","0.003","90","","2052.4","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C100 H100 N12 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0669","0.0452","","","0.118","0.1291","","","","","","1.052","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128343","13.3","0.007","7.486","0.004","14.731","0.007","90","","93.762","0.017","90","","1463.5","1.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N3 -","- C16 H23 N3 -","- C64 H92 N12 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.115","0.0603","","","0.1287","0.1515","","","","","","1.008","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128344","11.812","0.006","11.965","0.006","13.312","0.006","115.153","0.014","99.218","0.015","109.557","0.014","1500.5","1.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H12 F3 N5 -","- C17 H12 F3 N5 -","- C68 H48 F12 N20 -","4","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1023","0.0614","","","0.1417","0.1561","","","","","","1.049","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128345","7.229","0.002","7.692","0.002","13.893","0.004","100.422","0.01","93.394","0.011","101.959","0.011","739.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 F3 N5 -","- C16 H10 F3 N5 -","- C32 H20 F6 N10 -","2","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0566","0.0371","","","0.0991","0.1044","","","","","","0.999","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128346","14.645","0.005","12.306","0.003","10.398","0.003","90","","96.185","0.01","90","","1863","0.9","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N5 O -","- C21 H23 N5 O -","- C84 H92 N20 O4 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.13","0.0636","","","0.154","0.1867","","","","","","1.012","","","","has coordinates,has disorder","267021","2021-07-05","16:18:06",""
"7128347","6.858","0.002","15.868","0.005","17.842","0.005","66.888","0.009","89.896","0.01","82.855","0.01","1769.6","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H21 N5 -","- C20 H21 N5 -","- C80 H84 N20 -","4","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1381","0.0726","","","0.1696","0.1983","","","","","","1.043","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128348","13.043","0.004","16.924","0.005","7.147","0.002","90","","97.239","0.017","90","","1565.1","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N5 -","- C16 H21 N5 -","- C64 H84 N20 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1049","0.0609","","","0.1646","0.1883","","","","","","1.046","","","","has coordinates,has disorder","267021","2021-07-05","16:18:06",""
"7128349","8.6431","0.0016","15.692","0.002","13.006","0.002","90","","91.965","0.006","90","","1762.9","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N5 -","- C20 H21 N5 -","- C80 H84 N20 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0459","0.0407","","","0.1155","0.1196","","","","","","1.038","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128350","14.323","0.006","15.575","0.007","14.988","0.007","90","","103.939","0.015","90","","3245","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 F3 N6 O -","- C36 H37 F3 N6 O -","- C144 H148 F12 N24 O4 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1458","0.0859","","","0.2298","0.2667","","","","","","1.042","","","","has coordinates,has disorder","267021","2021-07-05","16:18:06",""
"7128351","19.342","0.007","7.811","0.003","27.328","0.01","90","","90","","90","","4129","3","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C25 H23 N5 -","- C25 H23 N5 -","- C200 H184 N40 -","8","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0554","0.0432","","","0.1143","0.122","","","","","","1.065","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128352","7.2146","0.0014","11.816","0.002","16.161","0.004","90","","102.558","0.007","90","","1344.7","0.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 F N5 -","- C16 H12 F N5 -","- C64 H48 F4 N20 -","4","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0496","0.0348","","","0.0797","0.0827","","","","","","0.988","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128353","14.919","0.006","16.332","0.006","8.526","0.003","90","","92.459","0.014","90","","2075.5","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 I2 N8 -","- C38 H40 I2 N8 -","- C76 H80 I4 N16 -","2","0.5","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0909","0.0536","","","0.1232","0.1374","","","","","","1.027","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128354","32.987","0.016","16.616","0.007","11.427","0.005","90","","105.17","0.02","90","","6045","5","149","2","149","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 F3 N6 -","- C26 H25 F3 N6 -","- C208 H200 F24 N48 -","8","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1845","0.0967","","","0.2684","0.311","","","","","","1.045","","","","has coordinates,has disorder","267021","2021-07-05","16:18:06",""
"7128355","12.612","0.007","19.074","0.012","8.914","0.005","90","","99.301","0.019","90","","2116","2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 -","- C24 H21 N5 -","- C96 H84 N20 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.1365","0.0797","","","0.2278","0.2595","","","","","","1.054","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128356","15.0815","0.0008","11.828","0.0006","12.836","0.0007","90","","113.055","0.003","90","","2106.9","0.2","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ni-P_8e","Ni-P_8e","","- C60 H28 N4 Ni -","- C60 H28 N4 Ni -","- C120 H56 N8 Ni2 -","2","0.5","","Chida, Koki; Yoshii, Takeharu; Takahashi, Kazuma; Yamamoto, Masanori; Kanamaru, Kazuya; Ohwada, Mao; Deerattrakul, Varisara; Maruyama, Jun; Kamiya, Kazuhide; Hayasaka, Yuichiro; Inoue, Masataka; Tani, Fumito; Nishihara, Hirotomo","Force-responsive ordered carbonaceous frameworks synthesized from Ni-porphyrin.","Chemical communications (Cambridge, England)","2021","57","49","6007","6010","10.1039/d1cc01618k","powder diffraction","","1.54186","CuKα","","","","","","","","","0.0311","2.1409","","","","","","","has coordinates","267040","2021-07-05","16:22:38",""
"7128357","36.6049","0.0006","36.6049","0.0006","36.6049","0.0006","90","","90","","90","","49047.6","1.4","173","2","173","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C108 H60 Cl6 N6 O40 Zr12 -","- C108 H60 Cl6 N6 O40 Zr12 -","- C864 H480 Cl48 N48 O320 Zr96 -","8","0.0416667","","Liu, Guoliang; Yang, Ziqi; Zhou, Mi; Wang, Yuxiang; Yuan, Daqiang; Zhao, Dan","Heterogeneous postassembly modification of zirconium metal-organic cages in supramolecular frameworks.","Chemical communications (Cambridge, England)","2021","57","51","6276","6279","10.1039/d1cc01606g","","","1.54184","CuKα","","0.1268","0.0889","","","0.2618","0.3196","","","","","","1.022","","","","has coordinates","266996","2021-07-05","16:12:02",""
"7128358","14.6283","0.0011","14.6283","0.0011","7.9366","0.0005","90","","90","","120","","1470.8","0.18","150","0.2","150","0.2","","","","","","","","4","P -3","-P 3","147","","","","- C25 H57 Li N6 -","- C25 H56.9997 Li N6 -","- C50 H113.999 Li2 N12 -","2","0.333333","","Davison, Nathan; Falbo, Emanuele; Waddell, Paul G.; Penfold, Thomas J.; Lu, Erli","A monomeric methyllithium complex: synthesis and structure.","Chemical communications (Cambridge, England)","2021","57","50","6205","6208","10.1039/d1cc01420j","","x-ray","1.54184","CuKα","","0.0696","0.0473","","","0.1034","0.1157","","","","","","0.956","","","","has coordinates,has disorder","267022","2021-07-05","16:18:17",""
"7128359","24.7909","0.0008","14.7339","0.0004","22.7185","0.0008","90","","101.23","0.003","90","","8139.4","0.5","100","","100","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C42 H48 N6 -","- C42 H48 N6 -","- C336 H384 N48 -","8","1","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.1002","0.0628","","","0.1346","0.1503","","","","","","1.042","","","","has coordinates","267024","2021-07-05","16:18:52",""
"7128360","11.1919","0.00007","15.1847","0.00008","15.7355","0.00008","104.505","0.0004","91.577","0.0005","105.639","0.0005","2480.11","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H68 N6 -","- C58 H68 N6 -","- C116 H136 N12 -","2","1","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.6889","Synchrotron","","0.0741","0.0674","","","0.1899","0.1955","","","","","","1.077","","","","has coordinates,has disorder","267024","2021-07-05","16:18:52",""
"7128361","14.3324","0.0006","14.3555","0.0006","25.1851","0.0009","89.815","0.003","77.839","0.004","60.849","0.004","4393.8","0.4","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C92 H112 N12 O6 -","- C92 H112 N12 O6 -","- C184 H224 N24 O12 -","2","1","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.1241","0.0821","","","0.2118","0.2277","","","","","","1.203","","","","has coordinates,has disorder","267024","2021-07-05","16:18:52",""
"7128362","20.45","0.002","20.45","0.002","5.9423","0.0005","90","","90","","120","","2152.1","0.3","100","","100","","","","","","","","","4","P 63","P 6c","173","","","","- C42.75 H51 N6 O0.75 -","- C42.75 H51 N6 O0.75 -","- C85.5 H102 N12 O1.5 -","2","0.333333","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.0757","0.0646","","","0.1554","0.1637","","","","","","1.078","","","","has coordinates,has disorder","267024","2021-07-05","16:18:52",""
"7128363","25.2103","0.0004","14.0669","0.0002","25.3934","0.0004","90","","102.506","0.002","90","","8791.6","0.2","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H58 N6 -","- C50 H58 N6 -","- C400 H464 N48 -","8","1","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.0963","0.0637","","","0.1397","0.1559","","","","","","1.015","","","","has coordinates","267024","2021-07-05","16:18:52",""
"7128364","29.9687","0.0005","22.3149","0.0003","14.6297","0.0002","90","","103.221","0.002","90","","9524.3","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H126.2 N12 O0.1 -","- C108 H126 N12 O0.1 -","- C432 H504 N48 O0.4 -","4","1","","He, Donglin; Clowes, Rob; Little, Marc A.; Liu, Ming; Cooper, Andrew I.","Creating porosity in a trianglimine macrocycle by heterochiral pairing.","Chemical communications (Cambridge, England)","2021","57","50","6141","6144","10.1039/d1cc01650d","","x-ray","0.71073","MoKα","","0.0999","0.0668","","","0.1351","0.1481","","","","","","1.065","","","","has coordinates,has disorder","267024","2021-07-05","16:18:52",""
"7128365","17.099","0.0017","18.593","0.002","21.71","0.002","110.622","0.003","112.963","0.003","90.689","0.003","5857.8","1","150","2","150.08","","","","","","","","","4","P -1","-P 1","2","","","","- C198 H264 Al6 N18 -","- C198 H264 Al6 N18 -","- C198 H264 Al6 N18 -","1","0.5","","Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan","Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.","Chemical communications (Cambridge, England)","2021","57","51","6268","6271","10.1039/d1cc00318f","","","0.71073","MoKα","","0.1689","0.0827","","","0.1623","0.1919","","","","","","1.033","","","","has coordinates","267000","2021-07-05","16:12:38",""
"7128366","12.469","0.008","13.297","0.008","19.852","0.013","90","","97.499","0.019","90","","3263","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H98 Al2 N6 -","- C73 H97 Al2 N6 -","- C146 H194 Al4 N12 -","2","0.5","","Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan","Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.","Chemical communications (Cambridge, England)","2021","57","51","6268","6271","10.1039/d1cc00318f","","","0.71073","MoKα","","0.1177","0.0988","","","0.2331","0.247","","","","","","1.086","","","","has coordinates","267000","2021-07-05","16:12:38",""
"7128367","14.224","0.003","11.946","0.002","19.65","0.004","90","","92.092","0.007","90","","3336.7","1.1","159","2","159","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H102 Al2 N6 -","- C75 H101 Al2 N6 -","- C150 H202 Al4 N12 -","2","0.5","","Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan","Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.","Chemical communications (Cambridge, England)","2021","57","51","6268","6271","10.1039/d1cc00318f","","","0.71073","MoKα","","0.0456","0.0408","","","0.0859","0.0884","","","","","","1.07","","","","has coordinates","267000","2021-07-05","16:12:38",""
"7128368","13.5982","0.0006","15.1449","0.0007","14.8412","0.0007","90","","92.994","0.002","90","","3052.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H94 Al2 N6 -","- C68 H94 Al2 N6 -","- C136 H188 Al4 N12 -","2","0.5","","Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan","Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.","Chemical communications (Cambridge, England)","2021","57","51","6268","6271","10.1039/d1cc00318f","","","0.71073","MoKα","","0.0478","0.0415","","","0.1402","0.1483","","","","","","1.13","","","","has coordinates","267000","2021-07-05","16:12:38",""
"7128369","12.9942","0.0004","21.2069","0.0006","22.7887","0.0007","90","","90","","90","","6279.8","0.3","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H87 Al2 N5 -","- C62 H87 Al2 N5 -","- C248 H348 Al8 N20 -","4","1","","Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan","Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.","Chemical communications (Cambridge, England)","2021","57","51","6268","6271","10.1039/d1cc00318f","","","0.71073","MoKα","","0.0748","0.0519","","","0.0892","0.0979","","","","","","1.108","","","","has coordinates","267000","2021-07-05","16:12:38",""
"7128370","9.8863","0.0006","12.8738","0.0009","13.3885","0.0008","62.963","0.006","69.397","0.006","81.811","0.005","1420.4","0.18","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 As4 Au2 Cl8 Cu2 -","- C52 H48 As4 Au2 Cl8 Cu2 -","- C52 H48 As4 Au2 Cl8 Cu2 -","1","0.5","","Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(I)-Cu(I) double salts.","Chemical communications (Cambridge, England)","2021","57","44","5382","5385","10.1039/d1cc01316e","","x-ray","0.71073","MoKα","","0.0506","0.0351","","","0.0615","0.0673","","","","","","0.988","","","","has coordinates","265834","2021-06-05","17:16:44",""
"7128371","9.9269","0.0003","12.6985","0.0008","13.1817","0.0008","110.431","0.006","111.146","0.005","98.196","0.004","1382.04","0.17","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 Au2 Cl8 Cu2 P4 -","- C52 H48 Au2 Cl8 Cu2 P4 -","- C52 H48 Au2 Cl8 Cu2 P4 -","1","0.5","","Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(I)-Cu(I) double salts.","Chemical communications (Cambridge, England)","2021","57","44","5382","5385","10.1039/d1cc01316e","","x-ray","0.71073","MoKα","","0.0351","0.0281","","","0.0626","0.0659","","","","","","1.025","","","","has coordinates","265834","2021-06-05","17:16:45",""
"7128372","24.0857","0.0016","9.8217","0.0004","26.0584","0.0019","90","","116.602","0.009","90","","5511.9","0.7","93.15","","93.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H46 Au2 Cl6 Cu2 P4 -","- C51 H46 Au2 Cl6 Cu2 P4 -","- C204 H184 Au8 Cl24 Cu8 P16 -","4","0.5","","Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(I)-Cu(I) double salts.","Chemical communications (Cambridge, England)","2021","57","44","5382","5385","10.1039/d1cc01316e","","x-ray","0.71073","MoKα","","0.0466","0.0321","","","0.0705","0.0764","","","","","","1.051","","","","has coordinates","265834","2021-06-05","17:16:45",""
"7128373","22.036","0.004","15.6209","0.0018","16.343","0.003","90","","114.38","0.006","90","","5124","1.5","298.15","","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 As4 Au2 Cl4 Cu2 -","- C50 H44 As4 Au2 Cl4 Cu2 -","- C200 H176 As16 Au8 Cl16 Cu8 -","4","0.5","","Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(I)-Cu(I) double salts.","Chemical communications (Cambridge, England)","2021","57","44","5382","5385","10.1039/d1cc01316e","","","0.71075","MoKα","","0.0817","0.0485","","","0.1168","0.1364","","","","","","1.044","","","","has coordinates,has disorder","265834","2021-06-05","17:16:45",""
"7128374","24.4022","0.0013","9.8331","0.0004","26.3594","0.0015","90","","116.103","0.007","90","","5679.8","0.6","93.15","","93.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.27 H46.55 As4 Au2 Cl6.55 Cu2 -","- C51.274 H46.548 As4 Au2 Cl6.548 Cu2 -","- C205.096 H186.192 As16 Au8 Cl26.192 Cu8 -","4","0.5","","Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(I)-Cu(I) double salts.","Chemical communications (Cambridge, England)","2021","57","44","5382","5385","10.1039/d1cc01316e","","x-ray","0.71073","MoKα","","0.0477","0.0318","","","0.0695","0.0756","","","","","","1.031","","","","has coordinates,has disorder","265834","2021-06-05","17:16:45",""
"7128375","11.9552","0.0004","14.8332","0.0004","14.8676","0.0005","78.576","0.002","78.834","0.003","69.834","0.003","2403.25","0.14","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 Au4 Cl8 Cu4 P8 -","- C100 H88 Au4 Cl8 Cu4 P8 -","- C100 H88 Au4 Cl8 Cu4 P8 -","1","0.5","","Kobayashi, Ryosuke; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Homo- and hetero-metallophilicity-driven synthesis of highly emissive and stimuli-responsive Au(I)-Cu(I) double salts.","Chemical communications (Cambridge, England)","2021","57","44","5382","5385","10.1039/d1cc01316e","","x-ray","0.71073","MoKα","","0.0709","0.0374","","","0.0587","0.0675","","","","","","0.988","","","","has coordinates","265834","2021-06-05","17:16:45",""
"7128376","9.5493","0.0006","14.0781","0.0008","7.7339","0.0005","86.029","0.005","89.324","0.005","79.883","0.005","1021.09","0.11","228","0.1","228","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Bi Cl6 K N2 -","- C10 H24 Bi Cl6 K N2 -","- C20 H48 Bi2 Cl12 K2 N4 -","2","1","","Meng, Qian-Ru; Xu, Wei-Jian; Hu, Wang-Hua; Ye, Hui; Chen, Xiao-Xian; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","An unprecedented hexagonal double perovskite organic-inorganic hybrid ferroelastic material: (piperidinium)<sub>2</sub>[KBiCl<sub>6</sub>].","Chemical communications (Cambridge, England)","2021","57","51","6292","6295","10.1039/d1cc02085d","","x-ray","0.71073","MoKα","","0.0417","0.0376","","","0.0856","0.0905","","","","","","1.077","","","","has coordinates","266999","2021-07-05","16:12:24",""
"7128377","17.4817","0.0009","7.7663","0.0004","7.7181","0.0003","90","","91.632","0.004","90","","1047.45","0.09","298","0.1","298","0.1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C10 H24 Bi Cl6 K N2 -","- C10 H24 Bi Cl6 K N2 -","- C20 H48 Bi2 Cl12 K2 N4 -","2","0.25","","Meng, Qian-Ru; Xu, Wei-Jian; Hu, Wang-Hua; Ye, Hui; Chen, Xiao-Xian; Yuan, Wei; Zhang, Wei-Xiong; Chen, Xiao-Ming","An unprecedented hexagonal double perovskite organic-inorganic hybrid ferroelastic material: (piperidinium)<sub>2</sub>[KBiCl<sub>6</sub>].","Chemical communications (Cambridge, England)","2021","57","51","6292","6295","10.1039/d1cc02085d","","x-ray","0.71073","MoKα","","0.0206","0.0201","","","0.0384","0.0386","","","","","","1.034","","","","has coordinates,has disorder","266999","2021-07-05","16:12:25",""
"7128378","7.6819","0.0001","5.895","0.0001","20.1743","0.0001","90","","91.416","0.001","90","","913.31","0.02","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O2 S -","- C20 H18 Br N O2 S -","- C40 H36 Br2 N2 O4 S2 -","2","1","","Wu, Hui-Min; Zhang, Zongpeng; Wei, Liang; Dong, Xiu-Qin; Wang, Chun-Jiang","Synergistic Cu/Pd-catalyzed asymmetric allylation: a facile access to α-quaternary cysteine derivatives.","Chemical communications (Cambridge, England)","2021","57","53","6538","6541","10.1039/d1cc01754c","","x-ray","1.54184","CuKα","","0.0214","0.0213","","","0.0579","0.0579","","","","","","1.08","","","","has coordinates","267007","2021-07-05","16:14:27",""
"7128379","25.049","0.002","10.4508","0.0009","36.994","0.003","90","","106.546","0.005","90","","9283.4","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H54 Cl0.99 Co N6 O6.97 -","- C40 H54 Cl0.991 Co N6 O6.964 -","- C320 H432 Cl7.928 Co8 N48 O55.712 -","8","1","","Bonanno, Nico M.; Watts, Zackery; Mauws, Cole; Patrick, Brian O.; Wiebe, Christopher R.; Shibano, Yuki; Sugisaki, Kenji; Matsuoka, Hideto; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Lemaire, Martin T.","Valence tautomerism in a [2 ×2] Co<sub>4</sub> grid complex containing a ditopic arylazo ligand.","Chemical communications (Cambridge, England)","2021","57","50","6213","6216","10.1039/d1cc01991k","","x-ray","0.71073","MoKα","","0.0835","0.0772","","","0.1786","0.1812","","","","","","1.112","","","","has coordinates,has disorder","267023","2021-07-05","16:18:31",""
"7128380","39.4401","0.0013","39.4401","0.0013","10.415","0.0005","90","","90","","90","","16200.8","1.1","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C128 H168 Co4 N24 O8 -","- C128 H168 Co4 N24 O8 -","- C512 H672 Co16 N96 O32 -","4","0.5","","Bonanno, Nico M.; Watts, Zackery; Mauws, Cole; Patrick, Brian O.; Wiebe, Christopher R.; Shibano, Yuki; Sugisaki, Kenji; Matsuoka, Hideto; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Lemaire, Martin T.","Valence tautomerism in a [2 ×2] Co<sub>4</sub> grid complex containing a ditopic arylazo ligand.","Chemical communications (Cambridge, England)","2021","57","50","6213","6216","10.1039/d1cc01991k","","x-ray","0.71073","MoKα","","0.0926","0.0681","","","0.1588","0.1693","","","","","","1.03","","","","has coordinates,has disorder","267023","2021-07-05","16:18:32",""
"7128381","7.32916","0.00012","16.4248","0.0002","18.857","0.0003","90","","100.201","0.0016","90","","2234.12","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H33 B O5 Si -","- C20 H33 B O5 Si -","- C80 H132 B4 O20 Si4 -","4","1","","Salvado, Oriol; Fernández, Elena","A modular olefination reaction between aldehydes and diborylsilylmethide lithium salts.","Chemical communications (Cambridge, England)","2021","57","51","6300","6303","10.1039/d1cc01882e","","","0.71075","MoKα","","0.033","0.0298","","","0.0884","0.0903","","","","","","1.045","","","","has coordinates","266997","2021-07-05","16:12:09",""
"7128382","10.9996","0.0006","12.127","0.0006","23.4345","0.0012","76.694","0.003","86.042","0.003","85.353","0.003","3028","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 N2 O -","- C39 H30 N2 O -","- C156 H120 N8 O4 -","4","2","","Changmai, Sumi; Sultana, Sabera; Sarma, Bipul; Gogoi, Sanjib","Pd(II)-Catalyzed alkyne annulation through allylic isomerization: synthesis of spiro-cyclopentadiene pyrazolones.","Chemical communications (Cambridge, England)","2021","57","49","6027","6030","10.1039/d1cc02155a","","","0.71073","MoKα","","0.1479","0.0606","","","0.1449","0.192","","","","","","0.937","","","","has coordinates","267038","2021-07-05","16:21:49",""
"7128383","10.6306","0.0008","15.1263","0.0011","17.9884","0.0014","90","","90","","90","","2892.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 N2 O -","- C38 H28 N2 O -","- C152 H112 N8 O4 -","4","1","","Changmai, Sumi; Sultana, Sabera; Sarma, Bipul; Gogoi, Sanjib","Pd(II)-Catalyzed alkyne annulation through allylic isomerization: synthesis of spiro-cyclopentadiene pyrazolones.","Chemical communications (Cambridge, England)","2021","57","49","6027","6030","10.1039/d1cc02155a","","","0.71073","MoKα","","0.0832","0.0517","","","0.1127","0.1312","","","","","","1.024","","","","has coordinates","267038","2021-07-05","16:21:49",""
"7128384","12.4069","0.0003","13.0169","0.0003","19.7043","0.0004","76.2476","0.0016","89.8441","0.0017","86.8028","0.0016","3086.01","0.12","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H101 B N4 O3 Sr -","- C66 H101 B N4 O3 Sr -","- C132 H202 B2 N8 O6 Sr2 -","2","1","","Höllerhage, Thomas; Carpentier, Ambre; Spaniol, Thomas P.; Maron, Laurent; Englert, Ulli; Okuda, Jun","Cationic strontium hydride complexes supported by an NNNN-type macrocycle.","Chemical communications (Cambridge, England)","2021","57","51","6316","6319","10.1039/d1cc02040d","","x-ray","1.54178","CuKα","","0.1116","0.1064","","","0.2691","0.2798","","","","","","1.321","","","","has coordinates,has disorder","267001","2021-07-05","16:13:00",""
"7128385","8.8102","0.0018","9.0828","0.0018","19.687","0.004","88.58","0.03","87.44","0.03","70.78","0.03","1486","0.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H50 N4 O Sr -","- C30 H50 N4 O Sr -","- C60 H100 N8 O2 Sr2 -","2","1","","Höllerhage, Thomas; Carpentier, Ambre; Spaniol, Thomas P.; Maron, Laurent; Englert, Ulli; Okuda, Jun","Cationic strontium hydride complexes supported by an NNNN-type macrocycle.","Chemical communications (Cambridge, England)","2021","57","51","6316","6319","10.1039/d1cc02040d","","x-ray","1.54178","CuKα","","0.0238","0.021","","","0.0553","0.0561","","","","","","1.048","","","","has coordinates,has disorder","267001","2021-07-05","16:13:01",""
"7128386","22.3924","0.0003","12.75071","0.00015","35.5684","0.0004","90","","101.73","0.0009","90","","9943.4","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C204 H316 B4 Ca2.52 N16 O7 Sr1.49 -","- C204 H316 B4 Ca2.514 N16 O7 Sr1.486 -","- C408 H632 B8 Ca5.028 N32 O14 Sr2.972 -","2","0.5","","Höllerhage, Thomas; Carpentier, Ambre; Spaniol, Thomas P.; Maron, Laurent; Englert, Ulli; Okuda, Jun","Cationic strontium hydride complexes supported by an NNNN-type macrocycle.","Chemical communications (Cambridge, England)","2021","57","51","6316","6319","10.1039/d1cc02040d","","x-ray","1.54178","CuKα","","0.0744","0.0431","","","0.0936","0.1006","","","","","","0.857","","","","has coordinates,has disorder","267001","2021-07-05","16:13:01",""
"7128387","17.2794","0.0002","24.7939","0.0004","28.3335","0.0005","109.873","0.0012","90.2679","0.0012","90.7112","0.0012","11414.5","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","compound 4","","","- C228 H375.93 B4 I0.07 N24 O7 Sr6 -","- C208 H335.93 B4 I0.07 N24 O2 Sr6 -","- C416 H671.86 B8 I0.14 N48 O4 Sr12 -","2","1","","Höllerhage, Thomas; Carpentier, Ambre; Spaniol, Thomas P.; Maron, Laurent; Englert, Ulli; Okuda, Jun","Cationic strontium hydride complexes supported by an NNNN-type macrocycle.","Chemical communications (Cambridge, England)","2021","57","51","6316","6319","10.1039/d1cc02040d","","x-ray","1.54178","CuKα","","0.0932","0.067","","","0.1616","0.1788","","","","","","1.014","","","","has coordinates,has disorder","287892","2023-11-30","16:04:10",""
"7128388","23.318","0.011","8.609","0.004","8.942","0.004","90","","94.033","0.006","90","","1790.6","1.4","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Ba5 Cl2 S8 -","- B2 Ba5 Cl2 S8 -","- B8 Ba20 Cl8 S32 -","4","0.5","","Zhou, Jiazheng; Chu, Yu; Li, Junjie; Pan, Shilie","Ba<sub>2</sub>BS<sub>3</sub>Cl and Ba<sub>5</sub>B<sub>2</sub>S<sub>8</sub>Cl<sub>2</sub>: first alkaline-earth metal thioborate halides with [BS<sub>3</sub>] units.","Chemical communications (Cambridge, England)","2021","57","52","6440","6443","10.1039/d1cc01510a","","","0.71073","MoKα","","0.033","0.0277","","","0.0588","0.0609","","","","","","1.027","","","","has coordinates","267010","2021-07-05","16:15:15",""
"7128389","8.617","0.002","8.999","0.003","9.323","0.003","90","","90","","90","","722.9","0.4","296","2","296.15","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- B Ba2 Cl S3 -","- B Ba2 Cl S3 -","- B4 Ba8 Cl4 S12 -","4","0.5","","Zhou, Jiazheng; Chu, Yu; Li, Junjie; Pan, Shilie","Ba<sub>2</sub>BS<sub>3</sub>Cl and Ba<sub>5</sub>B<sub>2</sub>S<sub>8</sub>Cl<sub>2</sub>: first alkaline-earth metal thioborate halides with [BS<sub>3</sub>] units.","Chemical communications (Cambridge, England)","2021","57","52","6440","6443","10.1039/d1cc01510a","","","0.71073","MoKα","","0.0267","0.0222","","","0.0475","0.0491","","","","","","1.074","","","","has coordinates","267010","2021-07-05","16:15:15",""
"7128390","14.2727","0.0006","9.0999","0.0004","20.3049","0.001","90","","101.367","0.004","90","","2585.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C124 H108 N4 O16 S4 -","4","1","","Kumar, Shreemoyee; Nair, Akshay M.; Volla, Chandra M. R.","Ru(II)-catalyzed allenylation and sequential annulation of <i>N</i>-tosylbenzamides with propargyl alcohols.","Chemical communications (Cambridge, England)","2021","57","51","6280","6283","10.1039/d1cc01768c","","x-ray","0.71073","MoKα","","0.0731","0.0498","","","0.1114","0.1313","","","","","","1.063","","","","has coordinates","266998","2021-07-05","16:12:17",""
"7128391","6.7413","0.0005","11.063","0.0008","11.1739","0.0008","65.911","0.002","76.843","0.003","81.307","0.003","739.2","0.09","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 Br O -","- C16 H19 Br O -","- C32 H38 Br2 O2 -","2","1","","Kimaru, Natsuki; Komatsuki, Keiichi; Saito, Kodai; Yamada, Tohru","Decarboxylation-triggered homo-Nazarov cyclization of cyclic enol carbonates catalyzed by rhenium complex.","Chemical communications (Cambridge, England)","2021","57","50","6133","6136","10.1039/d1cc01144h","","","0.71073","MoKα","","0.0543","0.0481","","","0.1466","0.15","","","","","","1.53","","","","has coordinates","267025","2021-07-05","16:19:00",""
"7128392","20.086","0.0005","10.8034","0.0003","12.6109","0.0004","90","","106.226","0.001","90","","2627.52","0.13","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O -","- C15 H18 O -","- C120 H144 O8 -","8","2","","Kimaru, Natsuki; Komatsuki, Keiichi; Saito, Kodai; Yamada, Tohru","Decarboxylation-triggered homo-Nazarov cyclization of cyclic enol carbonates catalyzed by rhenium complex.","Chemical communications (Cambridge, England)","2021","57","50","6133","6136","10.1039/d1cc01144h","","","0.71073","MoKα","","0.0745","0.062","","","0.1774","0.1888","","","","","","1.069","","","","has coordinates","267025","2021-07-05","16:19:00",""
"7128393","4.1619","0.0007","13.023","0.002","21.315","0.004","90","","90","","90","","1155.3","0.3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Zhou, Zhan-Yu; Xu, Zhong-Yang; Shen, Qiao-Yu; Huang, Li-Sha; Zhang, Xing; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","<i>In situ</i> generation of highly reactive allenes from nitrocyclopropanes: controllable synthesis of enynes and enesters.","Chemical communications (Cambridge, England)","2021","57","52","6424","6427","10.1039/d1cc01573g","","","0.71073","MoKα","","0.0866","0.0393","","","0.105","0.1413","","","","","","0.835","","","","has coordinates","267012","2021-07-05","16:15:39",""
"7128394","9.5108","0.0002","9.997","0.0002","14.6139","0.0003","87.758","0.001","89.571","0.001","80.969","0.001","1371.21","0.05","170","2","170.01","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O8 -","- C30 H32 O8 -","- C60 H64 O16 -","2","1","","Zhou, Zhan-Yu; Xu, Zhong-Yang; Shen, Qiao-Yu; Huang, Li-Sha; Zhang, Xing; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","<i>In situ</i> generation of highly reactive allenes from nitrocyclopropanes: controllable synthesis of enynes and enesters.","Chemical communications (Cambridge, England)","2021","57","52","6424","6427","10.1039/d1cc01573g","","","1.34139","GaKα","","0.0564","0.045","","","0.1034","0.1119","","","","","","1.074","","","","has coordinates","267012","2021-07-05","16:15:40",""
"7128395","14.1448","0.0001","21.9288","0.0001","26.0721","0.0002","90","","98.309","0.001","90","","8002.12","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C78 H136 B3 Dy3 -","- C78 H136 B3 Dy3 -","- C312 H544 B12 Dy12 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis and single-molecule magnet properties of a trimetallic dysprosium metallocene cation.","Chemical communications (Cambridge, England)","2021","57","52","6396","6399","10.1039/d1cc02139g","","x-ray","1.54184","CuKα","","0.0458","0.0402","","","0.0999","0.104","","","","","","1.021","","","","has coordinates,has disorder","267014","2021-07-05","16:15:57",""
"7128396","14.2955","0.0005","17.6222","0.0007","19.9866","0.0006","80.945","0.003","88.122","0.003","88.861","0.003","4969","0.3","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C102 H132 B3 Dy3 F20 -","- C102 H132 B3 Dy3 F20 -","- C204 H264 B6 Dy6 F40 -","2","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis and single-molecule magnet properties of a trimetallic dysprosium metallocene cation.","Chemical communications (Cambridge, England)","2021","57","52","6396","6399","10.1039/d1cc02139g","","x-ray","1.54184","CuKα","","0.0611","0.0474","","","0.1141","0.1225","","","","","","1.015","","","","has coordinates","267014","2021-07-05","16:15:58",""
"7128397","5.0662","0.0002","12.5792","0.0008","10.2257","0.0006","90","","100.078","0.003","90","","641.62","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","alpha-III","","- H5 O7 P2 Ti -","- H5 O7 P2 Ti -","- H20 O28 P8 Ti4 -","4","1","","Hung, Ling-I; Hsieh, Tsung-Hsiu; Syu, Jhao-Yang; Chen, Pei-Lin; Lin, Chia-Her; Wang, Sue-Lein","A titanium(iii) phosphite exhibits polymorph-distinct redox activity involving proton-coupled electron transfer.","Chemical communications (Cambridge, England)","2021","57","53","6542","6545","10.1039/d1cc01190a","","","0.71073","MoKα","","0.0321","0.0258","","","0.0682","0.0722","","","","","","1.118","","","","has coordinates,has disorder","267002","2021-07-05","16:13:22",""
"7128398","7.0671","0.001","7.3832","0.001","12.0992","0.0016","90","","102.341","0.004","90","","616.72","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 O7 P2 Ti -","- H4 O7 P2 Ti -","- H16 O28 P8 Ti4 -","4","1","","Hung, Ling-I; Hsieh, Tsung-Hsiu; Syu, Jhao-Yang; Chen, Pei-Lin; Lin, Chia-Her; Wang, Sue-Lein","A titanium(iii) phosphite exhibits polymorph-distinct redox activity involving proton-coupled electron transfer.","Chemical communications (Cambridge, England)","2021","57","53","6542","6545","10.1039/d1cc01190a","","","0.71073","MoKα","","0.0422","0.0362","","","0.0965","0.0995","","","","","","1.154","","","","has coordinates","267002","2021-07-05","16:13:22",""
"7128399","7.4859","0.0006","7.5154","0.0006","12.1997","0.001","90","","102.801","0.002","90","","669.29","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H5 O7 P2 Ti -","- H5 O7 P2 Ti -","- H20 O28 P8 Ti4 -","4","1","","Hung, Ling-I; Hsieh, Tsung-Hsiu; Syu, Jhao-Yang; Chen, Pei-Lin; Lin, Chia-Her; Wang, Sue-Lein","A titanium(iii) phosphite exhibits polymorph-distinct redox activity involving proton-coupled electron transfer.","Chemical communications (Cambridge, England)","2021","57","53","6542","6545","10.1039/d1cc01190a","","","0.71073","MoKα","","0.0436","0.0395","","","0.084","0.0857","","","","","","1.095","","","","has coordinates,has disorder","267002","2021-07-05","16:13:22",""
"7128400","5.0907","0.0003","12.1407","0.0007","10.2327","0.0006","90","","102.663","0.003","90","","617.05","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H4 O7 P2 Ti -","- H4 O7 P2 Ti -","- H16 O28 P8 Ti4 -","4","1","","Hung, Ling-I; Hsieh, Tsung-Hsiu; Syu, Jhao-Yang; Chen, Pei-Lin; Lin, Chia-Her; Wang, Sue-Lein","A titanium(iii) phosphite exhibits polymorph-distinct redox activity involving proton-coupled electron transfer.","Chemical communications (Cambridge, England)","2021","57","53","6542","6545","10.1039/d1cc01190a","","","0.71073","MoKα","","0.062","0.0399","","","0.0957","0.1044","","","","","","1.128","","","","has coordinates,has disorder","267002","2021-07-05","16:13:22",""
"7128401","6.5241","0.0002","9.3333","0.0003","27.7177","0.0009","90","","90.516","0.003","90","","1687.7","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cl6 N2 O2 S2 -","- C34 H26 Cl6 N2 O2 S2 -","- C68 H52 Cl12 N4 O4 S4 -","2","0.5","","Mastropasqua Talamo, Maurizio; Pop, Flavia; Avarvari, Narcis","Straightforward <i>N</i>-alkylation of diketopyrrolopyrroles through the Mitsunobu reaction with benzyl, α-branched, and chiral alcohols.","Chemical communications (Cambridge, England)","2021","57","53","6514","6517","10.1039/d1cc02472h","","","1.54184","CuKα","","0.0489","0.0439","","","0.113","0.118","","","","","","1.042","","","","has coordinates,has disorder","267003","2021-07-05","16:13:30",""
"7128402","13.0653","0.0011","5.5363","0.0003","16.2264","0.001","90","","109.093","0.008","90","","1109.14","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O2 S2 -","- C24 H28 N2 O2 S2 -","- C48 H56 N4 O4 S4 -","2","0.5","","Mastropasqua Talamo, Maurizio; Pop, Flavia; Avarvari, Narcis","Straightforward <i>N</i>-alkylation of diketopyrrolopyrroles through the Mitsunobu reaction with benzyl, α-branched, and chiral alcohols.","Chemical communications (Cambridge, England)","2021","57","53","6514","6517","10.1039/d1cc02472h","","","1.54184","CuKα","","0.0526","0.0455","","","0.1224","0.1312","","","","","","1.05","","","","has coordinates,has disorder","267003","2021-07-05","16:13:31",""
"7128403","11.5078","0.0009","5.6097","0.0004","16.8043","0.0011","90","","106.234","0.008","90","","1041.55","0.14","200.4","0.6","200.4","0.6","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O2 -","- C24 H26 N4 O2 -","- C48 H52 N8 O4 -","2","0.5","","Mastropasqua Talamo, Maurizio; Pop, Flavia; Avarvari, Narcis","Straightforward <i>N</i>-alkylation of diketopyrrolopyrroles through the Mitsunobu reaction with benzyl, α-branched, and chiral alcohols.","Chemical communications (Cambridge, England)","2021","57","53","6514","6517","10.1039/d1cc02472h","","","1.54184","CuKα","","0.0622","0.0548","","","0.1372","0.143","","","","","","1.074","","","","has coordinates,has disorder","267003","2021-07-05","16:13:31",""
"7128404","10.6491","0.0007","10.9218","0.0007","16.5496","0.0011","76.8917","0.0014","72.639","0.0014","64.8651","0.0014","1652","0.19","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C40.5 H31 Br Cl N2 O2 -","- C40.5 H31 Br Cl N2 O2 -","- C81 H62 Br2 Cl2 N4 O4 -","2","2","","Zhang, Wande; Wei, Shiqiang; Wang, Wenyao; Qu, Jingping; Wang, Baomin","Catalytic asymmetric construction of C-4 alkenyl substituted pyrazolone derivatives bearing multiple stereoelements.","Chemical communications (Cambridge, England)","2021","57","53","6550","6553","10.1039/d1cc01123e","","","0.71073","MoKα","","0.0708","0.0467","","","0.1134","0.1223","","","","","","1.042","","","","has coordinates","267005","2021-07-05","16:14:11",""
"7128405","11.0439","0.0003","5.6164","0.0002","12.2401","0.0003","90","","97.184","0.002","90","","753.26","0.04","150","2","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C34 H38 N2 O8 -","2","1","","Dunås, Petter; Paterson, Andrew J.; Kociok-Köhn, Gabriele; Rahm, Martin; Lewis, Simon E.; Kann, Nina","Palladium-catalyzed stereoselective domino arylation-acylation: an entry to chiral tetrahydrofluorenone scaffolds.","Chemical communications (Cambridge, England)","2021","57","53","6518","6521","10.1039/d1cc02160e","","x-ray","1.54184","CuKα","","0.036","0.0334","","","0.0835","0.0851","","","","","","1.046","","","","has coordinates","267008","2021-07-05","16:14:33",""
"7128406","17.589","0.001","17.0252","0.001","26.7962","0.0014","90","","106.593","0.002","90","","7690.1","0.8","113","2","113.03","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H53 N4 Ni S2 Th -","- C126 H53 N4 Ni S2 Th1.0006 -","- C504 H212 N16 Ni4 S8 Th4.0024 -","4","1","","Yan, Yingjing; Morales-Martínez, Roser; Zhuang, Jiaxin; Yao, Yang-Rong; Li, Xiaomeng; Poblet, Josep M.; Rodríguez-Fortea, Antonio; Chen, Ning","Th@<i>D</i><sub>5h</sub>(6)-C<sub>80</sub>: a highly symmetric fullerene cage stabilized by a single metal ion.","Chemical communications (Cambridge, England)","2021","57","54","6624","6627","10.1039/d1cc02339j","","","1.54178","CuKα","","0.0901","0.0874","","","0.2275","0.2299","","","","","","1.03","","","","has coordinates,has disorder","268597","2021-09-06","09:37:48",""
"7128407","12.0838","0.0007","15.3449","0.0009","16.0627","0.001","84.6388","0.0014","89.249","0.0014","88.299","0.0012","2963.9","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C128 H138 Cl6 O20 -","- C128 H138 Cl6 O20 -","- C128 H138 Cl6 O20 -","1","0.5","","Li, Zheng; Li, Lu; Wang, Yan; Yang, Ying-Wei","Pillararene-enriched linear conjugated polymer materials with thiazolo[5,4-<i>d</i>]thiazole linkages for photocatalysis.","Chemical communications (Cambridge, England)","2021","57","53","6546","6549","10.1039/d1cc02373j","","","0.71073","MoKα","","0.2327","0.1064","","","0.287","0.3827","","","","","","1.003","","","","has coordinates,has disorder","267006","2021-07-05","16:14:17",""
"7128408","3.927","0.004","11.665","0.012","27.84","0.03","90","","90","","90","","1275","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C52 H28 Cl12 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Reply to the 'Comment on ""Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic""' by J. J. Whittaker, A. J. Brock, A. Grosjean, M. C. Pfrunder, J. C. McMurtrie and J. K. Clegg, <i>Chem. Commun.</i>, 2021, <b>57</b>, DOI: 10.1039/D0CC07668F.","Chemical communications (Cambridge, England)","2021","57","40","4976","4978","10.1039/d1cc00159k","","","0.71073","MoKα","","0.0726","0.0623","","","0.1233","0.1294","","","","","","1.083","","","","has coordinates","265777","2021-06-04","08:05:49",""
"7128409","24.9668","0.0012","24.9668","0.0012","44.274","0.0011","90","","90","","120","","23900.4","1.7","103","2","103.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C132 H93 Ag29 N13 Na4 O3 S24 -","- C132 H93 Ag29 N13 Na4 O3 S24 -","- C528 H372 Ag116 N52 Na16 O12 S96 -","4","0.333333","","Ishii, Wataru; Katao, Shohei; Nishikawa, Yoshiko; Okajima, Yasuo; Hatori, Atsuya; Ehara, Masahiro; Kawai, Tsuyoshi; Nakashima, Takuya","The emergence of intense near-infrared photoluminescence by photoactivation of silver nanoclusters.","Chemical communications (Cambridge, England)","2021","57","53","6483","6486","10.1039/d1cc02119b","","x-ray","0.71075","MoKα","","0.1174","0.0867","","","0.2944","0.3369","","","","","","1.076","","","","has coordinates,has disorder","267009","2021-07-05","16:14:49",""
"7128410","21.9574","0.001","5.9872","0.0003","14.5153","0.0008","90","","92.023","0.005","90","","1907.04","0.17","293","2","293","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li","Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones <i>via</i> organocatalytic one-pot reactions.","Chemical communications (Cambridge, England)","2021","57","55","6764","6767","10.1039/d1cc02570h","","x-ray","1.54184","CuKα","","0.0713","0.0636","","","0.1766","0.1874","","","","","","1.083","","","","has coordinates","268513","2021-09-06","09:03:51",""
"7128411","12.5529","0.0007","6.608","0.0005","19.3655","0.0012","90","","90","","90","","1606.36","0.18","149.99","0.1","149.99","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H10 Br2 O4 -","- C18 H10 Br2 O4 -","- C72 H40 Br8 O16 -","4","0.5","","Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li","Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones <i>via</i> organocatalytic one-pot reactions.","Chemical communications (Cambridge, England)","2021","57","55","6764","6767","10.1039/d1cc02570h","","x-ray","1.54184","CuKα","","0.1041","0.0995","","","0.2587","0.2644","","","","","","1.097","","","","has coordinates","268513","2021-09-06","09:03:52",""
"7128412","23.3436","0.0014","4.9735","0.0003","11.5943","0.0005","90","","90","","90","","1346.09","0.13","149.99","0.1","149.99","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H12 O4 -","- C18 H12 O4 -","- C72 H48 O16 -","4","1","","Zhang, Min; He, Xue-Wen; Xiong, Ya; Zuo, Xiong; Zhou, Wei; Liu, Xiong-Li","Asymmetric construction of six vicinal stereogenic centers on hexahydroxanthones <i>via</i> organocatalytic one-pot reactions.","Chemical communications (Cambridge, England)","2021","57","55","6764","6767","10.1039/d1cc02570h","","x-ray","1.54184","CuKα","","0.0364","0.0348","","","0.0876","0.09","","","","","","1.074","","","","has coordinates","268513","2021-09-06","09:03:52",""
"7128413","15.469","0.004","15.469","0.004","14.15","0.006","90","","90","","120","","2932.3","1.6","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C12 H15.33 Co1.67 N2 O9.33 S -","- C12 H8 Co1.66667 N2 O9.33317 S -","- C72 H48 Co10 N12 O55.999 S6 -","6","0.5","","Du, Shaowu; Cui, Meiyan; He, Zhangzhen","A pentanuclear {Co<sub>5</sub>} cluster motif forming a capped breathing kagomé lattice.","Chemical communications (Cambridge, England)","2021","57","54","6616","6619","10.1039/d1cc01987b","","","0.71073","MoKα","","0.0511","0.0507","","","0.1265","0.1268","","","","","","1.248","","","","has coordinates,has disorder","268601","2021-09-06","09:38:15",""
"7128414","8.3202","0.0008","12.3819","0.0008","17.5192","0.0009","81.925","0.005","78.76","0.006","85.352","0.006","1750","0.2","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate acetonitrile solvate","","- C28 H27 Cl2 Fe N13 O10 -","- C28 H27 Cl2 Fe N13 O10 -","- C56 H54 Cl4 Fe2 N26 O20 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0963","0.0875","","","0.252","0.2599","","","","","","1.096","","","","has coordinates,has disorder","267004","2021-07-05","16:14:01",""
"7128415","8.296","0.0002","12.6295","0.0005","18.001","0.0007","84.076","0.003","80.16","0.003","81.045","0.003","1829.95","0.11","250","2","250","2","","","","","","","","8","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) tetrafluoroborate(2/0.9) perchlorate(2/1.1) propionitrile solvate","","- C29 H29 B0.9 Cl1.1 F3.6 Fe N13 O6.4 -","- C29 H29 B0.9 Cl1.1 F3.6 Fe N13 O6.4 -","- C58 H58 B1.8 Cl2.2 F7.2 Fe2 N26 O12.8 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0809","0.0727","","","0.2001","0.2078","","","","","","1.089","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128416","8.2794","0.0003","12.611","0.0005","17.7349","0.0008","82.848","0.004","79.767","0.003","80.613","0.003","1789.15","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate acetonitrile solvate","","- C28 H27 Cl2 Fe N13 O10 -","- C28 H27 Cl2 Fe N13 O10 -","- C56 H54 Cl4 Fe2 N26 O20 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0633","0.0594","","","0.1523","0.1551","","","","","","1.05","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128417","8.341","0.0003","12.3849","0.0004","17.686","0.0005","82.187","0.003","78.664","0.003","85.14","0.003","1771.57","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate propionitrile solvate","","- C29 H29 Cl2 Fe N13 O10 -","- C29 H29 Cl2 Fe N13 O10 -","- C58 H58 Cl4 Fe2 N26 O20 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0612","0.0579","","","0.1856","0.1883","","","","","","1.101","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128418","8.0578","0.00018","12.7729","0.0004","18.7921","0.0006","96.071","0.003","102.311","0.002","101.565","0.002","1828.85","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate di-acetonitrile solvate","","- C30 H30 B2 F8 Fe N14 O2 -","- C30 H30 B2 F8 Fe N14 O2 -","- C60 H60 B4 F16 Fe2 N28 O4 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0442","0.0422","","","0.1089","0.1107","","","","","","1.051","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128419","8.2204","0.0005","12.3298","0.001","17.2739","0.0014","82.969","0.007","79.317","0.006","85.481","0.006","1704.7","0.2","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate acetonitrile solvate","","- C28 H27 B2 F8 Fe N13 O2 -","- C28 H27 B2 F8 Fe N13 O2 -","- C56 H54 B4 F16 Fe2 N26 O4 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.1117","0.0862","","","0.2333","0.2517","","","","","","1.048","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128420","20.7377","0.0003","8.8852","0.0002","19.6895","0.0003","90","","90","","90","","3627.96","0.11","120","2","120","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate bis-nitromethane solvate","","- C28 H30 B2 F8 Fe N14 O6 -","- C28 H30 B2 F8 Fe N14 O6 -","- C112 H120 B8 F32 Fe4 N56 O24 -","4","0.5","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0408","0.0343","","","0.0838","0.0874","","","","","","1.022","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128421","8.2454","0.0003","12.6105","0.0006","17.821","0.0009","84.191","0.004","80.215","0.004","81.291","0.004","1799.57","0.14","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate propionitrile solvate","","- C29 H29 B2 F8 Fe N13 O2 -","- C29 H29 B2 F8 Fe N13 O2 -","- C58 H58 B4 F16 Fe2 N26 O4 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.071","0.0581","","","0.1573","0.1646","","","","","","1.076","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128422","8.3297","0.0004","12.6635","0.0008","18.0861","0.001","83.662","0.005","80.003","0.004","80.933","0.005","1848.56","0.18","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate propionitrile solvate","","- C29 H29 Cl2 Fe N13 O10 -","- C29 H29 Cl2 Fe N13 O10 -","- C58 H58 Cl4 Fe2 N26 O20 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.092","0.076","","","0.2052","0.2177","","","","","","1.09","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128423","8.2279","0.0003","12.5396","0.0006","17.5742","0.0011","83.354","0.005","79.986","0.004","80.831","0.004","1755.53","0.16","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate acetonitrile solvate","","- C28 H27 B2 F8 Fe N13 O2 -","- C28 H27 B2 F8 Fe N13 O2 -","- C56 H54 B4 F16 Fe2 N26 O4 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0771","0.0702","","","0.206","0.2112","","","","","","1.093","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128424","20.7926","0.0004","8.837","0.0003","20.0553","0.0005","90","","90","","90","","3685.05","0.17","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate bis-nitromethane solvate","","- C28 H30 Cl2 Fe N14 O14 -","- C28 H30 Cl2 Fe N14 O14 -","- C112 H120 Cl8 Fe4 N56 O56 -","4","0.5","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0465","0.0383","","","0.0971","0.1036","","","","","","1.03","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128425","8.3169","0.0003","20.4484","0.0007","22.6673","0.0008","107.978","0.003","99.002","0.003","95.195","0.003","3581.8","0.2","180.15","","180","2","","","","","","","","8","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) tetrafluoroborate(2/0.9) perchlorate(2/1.1) propionitrile solvate","","- C29 H29 B0.9 Cl1.1 F3.6 Fe N13 O6.4 -","- C29 H29 B0.9 Cl1.1 F3.6 Fe N13 O6.4 -","- C116 H116 B3.6 Cl4.4 F14.4 Fe4 N52 O25.6 -","4","2","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.086","0.0676","","","0.1799","0.195","","","","","","1.052","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128426","8.3123","0.0005","12.3617","0.0005","17.5779","0.0006","82.678","0.003","78.686","0.004","85.091","0.004","1753.25","0.14","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) tetrafluoroborate(2/0.9) perchlorate(2/1.1) propionitrile solvate","","- C29 H29 B0.9 Cl1.1 F3.6 Fe N13 O6.4 -","- C29 H29 B0.9 Cl1.1 F3.6 Fe N13 O6.4 -","- C58 H58 B1.8 Cl2.2 F7.2 Fe2 N26 O12.8 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0626","0.0495","","","0.1166","0.1245","","","","","","1.029","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128427","8.2085","0.0002","38.9652","0.0011","10.8625","0.0003","90","","105.691","0.003","90","","3344.85","0.16","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate methanol solvate","","","- C27 H28 B2 F8 Fe N12 O3 -","- C27 H28 B2 F8 Fe N12 O3 -","- C108 H112 B8 F32 Fe4 N48 O12 -","4","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0645","0.0615","","","0.1407","0.1424","","","","","","1.141","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128428","8.2658","0.0005","12.3645","0.001","17.5585","0.0011","83.555","0.006","79.079","0.005","84.39","0.006","1745.5","0.2","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate propionitrile solvate","","- C29 H29 B2 F8 Fe N13 O2 -","- C29 H29 B2 F8 Fe N13 O2 -","- C58 H58 B4 F16 Fe2 N26 O4 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0836","0.0631","","","0.1595","0.1746","","","","","","1.059","","","","has coordinates","267004","2021-07-05","16:14:02",""
"7128429","8.2123","0.0007","10.9318","0.001","20.008","0.002","79.143","0.009","78.844","0.009","75.48","0.008","1687.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate hemi-ethanol solvate","","- C27 H27 Cl2 Fe N12 O10.5 -","- C27 H27 Cl2 Fe N12 O10.5 -","- C54 H54 Cl4 Fe2 N24 O21 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0566","0.0472","","","0.1186","0.1269","","","","","","1.027","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128430","8.2464","0.0003","12.534","0.0009","17.7464","0.0009","83.832","0.005","79.727","0.004","82.425","0.005","1782.48","0.17","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) ditetrafluoroborate propionitrile solvate","","- C29 H29 B2 F8 Fe N13 O2 -","- C29 H29 B2 F8 Fe N13 O2 -","- C58 H58 B4 F16 Fe2 N26 O4 -","2","1","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.0783","0.0614","","","0.1619","0.1724","","","","","","1.083","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128431","8.339","0.0002","20.3671","0.0005","22.8144","0.0007","108.029","0.003","98.689","0.002","95.458","0.002","3600.56","0.18","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","Bis-[N-(2,6-di{pyrazol-1-yl}pyrid-4-yl)acetamide]iron(II) diperchlorate propionitrile solvate","","- C29 H29 Cl2 Fe N13 O10 -","- C29 H29 Cl2 Fe N13 O10 -","- C116 H116 Cl8 Fe4 N52 O40 -","4","2","","Berdiell, Izar Capel; Kulmaczewski, Rafal; Shahid, Namrah; Cespedes, Oscar; Halcrow, Malcolm A.","The number and shape of lattice solvent molecules controls spin-crossover in an isomorphous series of crystalline solvate salts.","Chemical communications (Cambridge, England)","2021","57","53","6566","6569","10.1039/d1cc02624k","","x-ray","1.54184","CuKα","","0.096","0.0749","","","0.1991","0.2156","","","","","","1.039","","","","has coordinates,has disorder","267004","2021-07-05","16:14:02",""
"7128432","9.523","0.0007","10.6568","0.0008","10.7489","0.0008","115.937","0.002","108.831","0.002","95.796","0.003","890.09","0.12","200.15","","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 F4 N8 O9 Sb2 -","- C6 H16 F4 N8 O9 Sb2 -","- C12 H32 F8 N16 O18 Sb4 -","2","1","","Chen, Yangxin; Zhu, Tingting; Xiong, Zheyao; Zhou, Yang; Li, Yanqiang; Ding, Qingran; Liu, Youchao; Chen, Xin; Zhao, Sangen; Luo, Junhua","An organic-inorganic hybrid birefringent material with diverse functional groups.","Chemical communications (Cambridge, England)","2021","57","54","6668","6671","10.1039/d1cc02548a","","","0.71073","MoKα","","0.0231","0.0206","","","0.0418","0.0427","","","","","","1.183","","","","has coordinates","268598","2021-09-06","09:37:54",""
"7128433","10.2944","0.0006","12.0674","0.0007","15.9401","0.0008","68.586","0.002","89.702","0.003","78.26","0.003","1799.73","0.18","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 F6 N2 O4 -","- C40 H43 F6 N2 O4 -","- C80 H86 F12 N4 O8 -","2","1","","Xie, Yu-Yang; Wang, Yun-Peng; Zhao, Xiao-Jing; Wang, Ai-Fang; Chen, Zhi-Min; Tu, Yong-Qiang","Oxyallyl cation promoted dearomative semipinacol rearrangement: a facile stereodivergent synthesis of spiro-indolines with contiguous quaternary centers.","Chemical communications (Cambridge, England)","2021","57","54","6632","6635","10.1039/d1cc02033a","","","1.54178","CuKα","","0.1297","0.0924","","","0.2598","0.2891","","","","","","1.634","","","","has coordinates","268599","2021-09-06","09:38:03",""
"7128434","10.432","","10.4321","0.0005","32.8983","0.0016","90","","90","","90","","3580.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 F3 N O2 -","- C20 H22 F3 N O2 -","- C160 H176 F24 N8 O16 -","8","1","","Xie, Yu-Yang; Wang, Yun-Peng; Zhao, Xiao-Jing; Wang, Ai-Fang; Chen, Zhi-Min; Tu, Yong-Qiang","Oxyallyl cation promoted dearomative semipinacol rearrangement: a facile stereodivergent synthesis of spiro-indolines with contiguous quaternary centers.","Chemical communications (Cambridge, England)","2021","57","54","6632","6635","10.1039/d1cc02033a","","","1.54178","CuKα","","0.0753","0.0663","","","0.1961","0.2081","","","","","","1.065","","","","has coordinates","268599","2021-09-06","09:38:03",""
"7128435","9.2267","0.0007","21.642","0.0017","8.7088","0.0007","90","","112.336","0.002","90","","1608.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Xie, Yu-Yang; Wang, Yun-Peng; Zhao, Xiao-Jing; Wang, Ai-Fang; Chen, Zhi-Min; Tu, Yong-Qiang","Oxyallyl cation promoted dearomative semipinacol rearrangement: a facile stereodivergent synthesis of spiro-indolines with contiguous quaternary centers.","Chemical communications (Cambridge, England)","2021","57","54","6632","6635","10.1039/d1cc02033a","","","1.54178","CuKα","","0.0535","0.0511","","","0.145","0.1478","","","","","","1.057","","","","has coordinates","268599","2021-09-06","09:38:03",""
"7128436","6.1119","0.0002","14.5023","0.0005","6.945","0.0002","90","","90.477","0.004","90","","615.56","0.03","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl4 Mn N2 -","- C6 H16 Cl4 Mn N2 -","- C12 H32 Cl8 Mn2 N4 -","2","0.5","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54184","CuKα","","0.0442","0.0417","","","0.1188","0.1232","","","","","","1.047","","","","has coordinates","268515","2021-09-06","09:04:39",""
"7128437","11.5561","0.0002","9.7596","0.0002","23.9095","0.0005","90","","90","","90","","2696.58","0.09","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H16 Cl4 Mn N2 -","- C6 H16 Cl4 Mn N2 -","- C48 H128 Cl32 Mn8 N16 -","8","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54184","CuKα","","0.0437","0.039","","","0.1054","0.1194","","","","","","1.007","","","","has coordinates","268515","2021-09-06","09:04:41",""
"7128438","9.996","0.0002","14.3566","0.0002","15.378","0.0003","90","","128.657","0.001","90","","1723.35","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H23 Cl4 Mn N3 -","- C9 H23 Cl4 Mn N3 -","- C36 H92 Cl16 Mn4 N12 -","4","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54178","CuKα","","0.0417","0.0351","","","0.0962","0.1083","","","","","","1.042","","","","has coordinates","268515","2021-09-06","09:04:41",""
"7128439","16.387","0.004","15.292","0.004","18.81","0.005","90","","90","","90","","4714","2","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H30 Cl4 Mn N4 -","- C16 H30 Cl4 Mn N4 -","- C128 H240 Cl32 Mn8 N32 -","8","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","0.71073","MoKα","","0.0602","0.0563","","","0.1634","0.1667","","","","","","1.068","","","","has coordinates,has disorder","268515","2021-09-06","09:04:41",""
"7128440","8.0465","0.0001","15.391","0.0001","16.9396","0.0001","90","","90","","90","","2097.86","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl6 Mn N4 -","- C10 H28 Cl6 Mn N4 -","- C40 H112 Cl24 Mn4 N16 -","4","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54178","CuKα","","0.026","0.0246","","","0.061","0.0621","","","","","","1.038","","","","has coordinates","268515","2021-09-06","09:04:41",""
"7128441","11.302","0.003","13.079","0.004","17.093","0.005","90","","103.306","0.005","90","","2458.8","1.2","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","[(Cp*)ScMe2]2","","","- C24 H42 Sc2 -","- C24 H42 Sc2 -","- C96 H168 Sc8 -","4","1","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.13","0.0629","","","0.1451","0.1768","","","","","","0.968","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7128442","19.234","0.005","19.234","0.005","8.042","0.005","90","0.005","90","0.005","120","0.005","2576.5","1.9","193","2","193","2","","","","","","","","4","R 3 :H","R 3","146","[(Cp*)Sc]3(CH)","","","- C31 H46 Br3 Sc3 -","- C31 H46 Br3 Sc3 -","- C93 H138 Br9 Sc9 -","3","0.333333","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.0405","0.0353","","","0.0747","0.0759","","","","","","0.943","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7128443","8.4677","0.0005","11.4252","0.0006","18.6662","0.0009","90.449","0.002","90.296","0.002","100.656","0.002","1774.63","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","[(Cp*)Sc(OMe)]3(CH)","","","- C34 H55 O3 Sc3 -","- C34 H55 O3 Sc3 -","- C68 H110 O6 Sc6 -","2","1","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.0692","0.0581","","","0.1595","0.1733","","","","","","1.022","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7128444","11.1532","0.0007","11.2183","0.0007","16.765","0.0009","98.58","0.002","97.778","0.002","110.9","0.002","1896.9","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","[(Cp*)Sc](Br)2(CH)(CH2tBu)","","","- C36 H57 Br2 Sc3 -","- C36 H57 Br2 Sc3 -","- C72 H114 Br4 Sc6 -","2","1","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.0581","0.0485","","","0.1274","0.1353","","","","","","1.033","","","","has coordinates,has disorder","267011","2021-07-05","16:15:32",""
"7128445","12.17","0.0006","19.2637","0.0009","19.9851","0.001","63.681","0.002","77.428","0.002","76.109","0.002","4043.3","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[(Cp*)Sc(OMe)]3(CHCNtBu)","","","- C78 H128 N2 O6 Sc6 -","- C78 H128 N2 O6 Sc6 -","- C156 H256 N4 O12 Sc12 -","2","1","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.0569","0.0419","","","0.1038","0.1135","","","","","","1.059","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7128446","16.926","0.0015","17.5138","0.0018","18.038","0.0017","67.491","0.003","87.569","0.003","79.633","0.003","4857.1","0.8","193","2","193","2","","","","","","","","5","P -1","-P 1","2","[(Cp*)Sc(OMe)]3[CHC(Ph)N]","","","- C82 H120 N2 O6 Sc6 -","- C82 H120 N2 O6 Sc6 -","- C164 H240 N4 O12 Sc12 -","2","1","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.1119","0.0662","","","0.1653","0.1974","","","","","","1.029","","","","has coordinates,has disorder","267011","2021-07-05","16:15:32",""
"7128447","19.1878","0.0009","19.1878","0.0009","15.6298","0.0014","90","","90","","120","","4983.5","0.6","193","2","193","2","","","","","","","","3","R -3 :H","-R 3","148","[(Cp*)ScMe]3(CH)","","","- C34 H55 Sc3 -","- C34 H55 Sc3 -","- C204 H330 Sc18 -","6","0.333333","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.047","0.041","","","0.1118","0.1176","","","","","","1.069","","","","has coordinates","267011","2021-07-05","16:15:32",""
"7128448","11.331","0.003","11.495","0.003","18.812","0.005","82.373","0.005","81.188","0.005","65.634","0.004","2199.1","1","193","2","193","2","","","","","","","","3","P -1","-P 1","2","[(Cp*)ScMCH2]4","","","- C44 H68 Sc4 -","- C44 H68 Sc4 -","- C88 H136 Sc8 -","2","1","","Deng, Peng; Shi, Xianghui; Gong, Xun; Cheng, Jianhua","Trinuclear scandium methylidyne complexes stabilized by pentamethylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","52","6436","6439","10.1039/d1cc01645h","","","0.71073","MoKα","","0.1836","0.0855","","","0.1898","0.2414","","","","","","0.979","","","","has coordinates,has disorder","267011","2021-07-05","16:15:32",""
"7128449","8.2125","0.0017","9.891","0.002","11.508","0.003","64.766","0.01","85.376","0.008","74.39","0.01","813.8","0.3","298","2","298.15","","","","","","","","","3","P -1","-P 1","2","CAÂ.DMPÂ.2H2O","(4-Oxo-4H-pyran-2,6-dicarboxylic acid)(2,6-dimethyl-4H-pyran-4-one)2H2O","","- C14 H16 O10 -","- C14 H16 O10 -","- C28 H32 O20 -","2","1","","Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.","Chemical communications (Cambridge, England)","2021","57","55","6725","6727","10.1039/d1cc02725e","","","0.71073","MoKα","","0.0568","0.0415","","","0.1214","0.1333","","","","","","1.066","","","","has coordinates","268508","2021-09-06","09:03:00",""
"7128450","7.7763","0.0019","8.1868","0.0017","8.683","0.002","82.568","0.007","82.756","0.008","65.804","0.006","498.4","0.2","150","2","150.15","","","","","","","","","3","P -1","-P 1","2","tetraacid cage CG1","6,6,12,12-tetrahydroxy-3,9-dioxapentacyclo[6.4.0.0^2,7.0^4,11.0^5,10]dodecane-2,4,8,10-tetracarboxylic acid hydrate","","- C14.61 H24.61 O19.39 -","- C14.61 H24.61 O19.39 -","- C14.61 H24.61 O19.39 -","1","0.5","","Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.","Chemical communications (Cambridge, England)","2021","57","55","6725","6727","10.1039/d1cc02725e","","","0.71073","MoKα","","0.1004","0.0605","","","0.122","0.1424","","","","","","1.068","","","","has coordinates,has disorder","268508","2021-09-06","09:03:01",""
"7128451","12.4105","0.0012","7.2547","0.0007","13.7901","0.0014","90","","90","","90","","1241.6","0.2","298.15","","298.15","","","","","","","","","3","C m c e","-C 2ac 2","64","tetramethyl cage","2,4,8,10-tetramethyl-3,9-dioxapentacyclo [6.4.0.0^2,7.0^4,11.0^5,10]dodecane-6,12-dione","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","0.25","","Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.","Chemical communications (Cambridge, England)","2021","57","55","6725","6727","10.1039/d1cc02725e","","","0.71073","MoKα","","0.0527","0.0439","","","0.1102","0.1167","","","","","","1.052","","","","has coordinates","268508","2021-09-06","09:03:01",""
"7128452","9.6261","0.001","11.4586","0.0011","11.0733","0.0011","90","","111.621","0.005","90","","1135.5","0.2","150","2","150.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CAÂ.THF","(4-Oxo-4H-pyran-2,6-dicarboxylic acid)solvate","","- C11 H12 O7 -","- C11 H12 O7 -","- C44 H48 O28 -","4","1","","Li, Changan; Sinnwell, Michael A.; Swenson, Dale C.; MacGillivray, Leonard R.","Cubane-forming cyclic dienes that exhibit orthogonal reactivities in the solid state.","Chemical communications (Cambridge, England)","2021","57","55","6725","6727","10.1039/d1cc02725e","","","0.71073","MoKα","","0.0362","0.0319","","","0.0818","0.0847","","","","","","1.099","","","","has coordinates","268508","2021-09-06","09:03:01",""
"7128453","17.6445","0.0002","25.2002","0.0003","6.8741","0.0001","90","","90","","90","","3056.53","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H70 N12 O14 Zn3 -","- C60 H70 N12 O14 Zn3 -","- C120 H140 N24 O28 Zn6 -","2","0.5","","Ma, Yu-Juan; Fang, Xiaoyu; Xiao, Guowei; Lu, Bo; Yan, Dongpeng","Triple-mode tunable long-persistent luminescence in a 3D zinc-organic hybrid.","Chemical communications (Cambridge, England)","2021","57","54","6684","6687","10.1039/d1cc02389f","","","1.54178","CuKα","","0.0588","0.0581","","","0.156","0.1568","","","","","","1.039","","","","has coordinates,has disorder","268594","2021-09-06","09:36:28",""
"7128454","26.121","0.003","9.9298","0.001","27.898","0.003","90","","103.715","0.004","90","","7029.8","1.3","100","","99.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Fe4N32P8S4C120H240","","- C120 H240 Fe4 N32 P8 S4 -","- C120 H240 Fe4 N32 P8 S4 -","- C240 H480 Fe8 N64 P16 S8 -","2","0.25","","Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.","Chemical communications (Cambridge, England)","2021","57","54","6664","6667","10.1039/d1cc02195h","","x-ray","0.71073","MoKα","","0.0537","0.0377","","","0.0919","0.1033","","","","","","1.039","","","","has coordinates","268595","2021-09-06","09:37:25",""
"7128455","13.069","0.002","13.56","0.002","21.307","0.004","100.59","0.007","95.542","0.007","109.567","0.006","3445.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H120 Fe2 N16 O P4 -","- C60 H120 Fe2 N16 O P4 -","- C120 H240 Fe4 N32 O2 P8 -","2","1","","Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.","Chemical communications (Cambridge, England)","2021","57","54","6664","6667","10.1039/d1cc02195h","","","0.71073","MoKα","","0.0883","0.0558","","","0.1039","0.1199","","","","","","1.028","","","","has coordinates","268595","2021-09-06","09:37:25",""
"7128456","26.073","0.003","9.9415","0.0009","27.859","0.002","90","","103.714","0.003","90","","7015.3","1.1","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","C60H120Fe2N16P4Se2","","- C60 H120 Fe2 N16 P4 Se2 -","- C60 H120 Fe2 N16 P4 Se2 -","- C240 H480 Fe8 N64 P16 Se8 -","4","0.5","","Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.","Chemical communications (Cambridge, England)","2021","57","54","6664","6667","10.1039/d1cc02195h","","x-ray","0.71073","MoKα","","0.0925","0.0633","","","0.1532","0.1707","","","","","","1.062","","","","has coordinates","268595","2021-09-06","09:37:25",""
"7128457","15.746","0.002","20.493","0.003","21.46","0.003","95.749","0.006","92.265","0.006","90.151","0.006","6884.4","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H120 Co2 N16 P4 -","- C60 H120 Co2 N16 P4 -","- C240 H480 Co8 N64 P16 -","4","2","","Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.","Chemical communications (Cambridge, England)","2021","57","54","6664","6667","10.1039/d1cc02195h","","","0.71073","MoKα","","0.1445","0.1144","","","0.3282","0.3674","","","","","","1.593","","","","has coordinates,has disorder","268595","2021-09-06","09:37:25",""
"7128458","15.746","0.002","20.493","0.003","21.46","0.003","95.749","0.006","92.265","0.006","90.151","0.006","6884.4","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H120 Fe2 N16 P4 -","- C60 H120 Fe2 N16 P4 -","- C240 H480 Fe8 N64 P16 -","4","2","","Aguirre Quintana, Luis M.; Yang, Yan; Ramanathan, Arun; Jiang, Ningxin; Bacsa, John; Maron, Laurent; La Pierre, Henry S.","Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane complex.","Chemical communications (Cambridge, England)","2021","57","54","6664","6667","10.1039/d1cc02195h","","","0.71073","MoKα","","0.0641","0.0491","","","0.1147","0.1227","","","","","","1.054","","","","has coordinates,has disorder","268595","2021-09-06","09:37:25",""
"7128459","15.6043","0.0002","10.3677","0.0002","21.3194","0.0005","90","","90","","90","","3449.07","0.11","100.05","0.1","100.05","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-pyrenylferrocene","","- C26 H18 Fe -","- C26 H18 Fe -","- C208 H144 Fe8 -","8","1","","Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul","Fusing pyrene and ferrocene into a chiral, redox-active triangle.","Chemical communications (Cambridge, England)","2021","57","54","6660","6663","10.1039/d1cc02191e","","x-ray","0.71073","MoKα","","0.0776","0.044","","","0.0821","0.0967","","","","","","1.053","","","","has coordinates","268593","2021-09-06","09:36:19",""
"7128460","11.6754","0.0003","16.8491","0.0003","16.8713","0.0003","84.071","0.002","71.467","0.002","83.634","0.002","3119.23","0.12","99.5","1","99.5","1","","","","","","","","3","P -1","-P 1","2","","","","- C92 H64 Fe3 -","- C92 H64 Fe3 -","- C184 H128 Fe6 -","2","1","","Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul","Fusing pyrene and ferrocene into a chiral, redox-active triangle.","Chemical communications (Cambridge, England)","2021","57","54","6660","6663","10.1039/d1cc02191e","","x-ray","0.71073","MoKα","","0.0579","0.0449","","","0.1163","0.1301","","","","","","1.057","","","","has coordinates","268593","2021-09-06","09:36:19",""
"7128461","20.87","0.0001","11.3826","0.0001","22.1496","0.0001","90","","90","","90","","5261.75","0.06","99.7","0.6","99.7","0.6","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1,1'-Bis(2-pyrenyl)ferrocene","","- C42 H26 Fe -","- C42 H26 Fe -","- C336 H208 Fe8 -","8","1","","Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul","Fusing pyrene and ferrocene into a chiral, redox-active triangle.","Chemical communications (Cambridge, England)","2021","57","54","6660","6663","10.1039/d1cc02191e","","x-ray","0.71073","MoKα","","0.035","0.0313","","","0.0814","0.0839","","","","","","1.059","","","","has coordinates","268593","2021-09-06","09:36:19",""
"7128462","11.424","0.0003","17.7656","0.0004","18.4462","0.0003","78.866","0.002","79.702","0.002","87.174","0.002","3613.67","0.14","100.3","0.3","100.3","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C98 H88 Fe3 O5 -","- C98 H88 Fe3 O5 -","- C196 H176 Fe6 O10 -","2","1","","Metzelaars, Marvin; Sanz, Sergio; Rawson, Jeff; Hartmann, Rudolf; Schneider, Claus M.; Kögerler, Paul","Fusing pyrene and ferrocene into a chiral, redox-active triangle.","Chemical communications (Cambridge, England)","2021","57","54","6660","6663","10.1039/d1cc02191e","","x-ray","0.71073","MoKα","","0.0929","0.0551","","","0.1143","0.1349","","","","","","1.026","","","","has coordinates,has disorder","268593","2021-09-06","09:36:19",""
"7128463","12.1708","0.0003","12.6323","0.0003","23.6169","0.0005","92.998","0.001","93.518","0.001","115.272","0.001","3264.86","0.13","123","","123","","","","","","","","see text","7","P -1","-P 1","2","","","","- C42 H47 F30 Fe2 N21 O P5 -","- C42 H47 F30 Fe2 N21 O P5 -","- C84 H94 F60 Fe4 N42 O2 P10 -","2","1","","Schlachta, Tim P.; Anneser, Markus R.; Schlagintweit, Jonas F.; Jakob, Christian H. G.; Hintermeier, Carolin; Böth, Alexander D; Haslinger, Stefan; Reich, Robert M.; Kühn, Fritz E","Mimicking reactive high-valent diiron-<i>μ</i><sub>2</sub>-oxo intermediates of nonheme enzymes by an iron tetracarbene complex.","Chemical communications (Cambridge, England)","2021","57","54","6644","6647","10.1039/d1cc02027g","","x-ray","0.71073","MoKα","","0.0558","0.0369","","","0.0795","0.0868","","","","","","1.024","","","","has coordinates,has disorder","268602","2021-09-06","09:38:22",""
"7128464","29.133","0.002","5.3113","0.0003","22.585","0.0013","90","","107.704","0.008","90","","3329.2","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Stefkova, Katarina; Heard, Matthew J.; Dasgupta, Ayan; Melen, Rebecca L.","Borane catalysed cyclopropenation of arylacetylenes.","Chemical communications (Cambridge, England)","2021","57","55","6736","6739","10.1039/d1cc01856f","","","1.54184","CuKα","","0.0798","0.0468","","","0.0979","0.1074","","","","","","0.868","","","","has coordinates","268510","2021-09-06","09:03:26",""
"7128465","26.0464","0.0011","18.2137","0.0008","7.6051","0.0004","90","","90","","90","","3607.9","0.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H18 O2 -","- C25 H18 O2 -","- C200 H144 O16 -","8","2","","Stefkova, Katarina; Heard, Matthew J.; Dasgupta, Ayan; Melen, Rebecca L.","Borane catalysed cyclopropenation of arylacetylenes.","Chemical communications (Cambridge, England)","2021","57","55","6736","6739","10.1039/d1cc01856f","","","1.54184","CuKα","","0.0804","0.0517","","","0.1171","0.1409","","","","","","1.049","","","","has coordinates","268510","2021-09-06","09:03:26",""
"7128466","14.695","0.003","20.709","0.004","22.202","0.004","79.292","0.004","80.514","0.004","89.184","0.005","6547","2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C156 H102 O15 S6 -","- C156 H102 O15 S6 -","- C312 H204 O30 S12 -","2","1","","Yubuta, Ayaka; Tsurusaki, Akihiro; Kamikawa, Ken","Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity.","Chemical communications (Cambridge, England)","2021","57","54","6600","6603","10.1039/d1cc02393d","","","0.71075","MoKα","","0.1054","0.0834","","","0.2288","0.2473","","","","","","1.065","","","","has coordinates,has disorder","268596","2021-09-06","09:37:39",""
"7128467","11.523","0.006","12.874","0.007","14.864","0.006","75.48","0.03","75.27","0.03","87.03","0.04","2064.3","1.8","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H36 Cl2 O6 -","- C52.999 H35.998 Cl1.998 O6 -","- C105.998 H71.996 Cl3.996 O12 -","2","1","","Yubuta, Ayaka; Tsurusaki, Akihiro; Kamikawa, Ken","Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity.","Chemical communications (Cambridge, England)","2021","57","54","6600","6603","10.1039/d1cc02393d","","","0.71075","MoKα","","0.1755","0.1047","","","0.2776","0.3464","","","","","","1.039","","","","has coordinates,has disorder","268596","2021-09-06","09:37:39",""
"7128468","11.541","0.004","14.334","0.007","15.473","0.006","94.345","0.016","108.46","0.02","110.631","0.014","2221.1","1.6","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H54 O7 -","- C59 H54 O7 -","- C118 H108 O14 -","2","1","","Yubuta, Ayaka; Tsurusaki, Akihiro; Kamikawa, Ken","Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity.","Chemical communications (Cambridge, England)","2021","57","54","6600","6603","10.1039/d1cc02393d","","","0.71075","MoKα","","0.099","0.076","","","0.2263","0.2486","","","","","","1.063","","","","has coordinates,has disorder","268596","2021-09-06","09:37:39",""
"7128469","11.493","0.009","13.905","0.01","15.123","0.01","69.85","0.03","68.97","0.02","83.25","0.03","2118","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H34 O5 -","- C51 H34 O5 -","- C102 H68 O10 -","2","1","","Yubuta, Ayaka; Tsurusaki, Akihiro; Kamikawa, Ken","Transformation from triple helicene to double helicene embedding adjacent stereogenic carbon atoms and axial stereogenicity.","Chemical communications (Cambridge, England)","2021","57","54","6600","6603","10.1039/d1cc02393d","","","0.71075","MoKα","","0.1099","0.0627","","","0.1536","0.1881","","","","","","0.905","","","","has coordinates","268596","2021-09-06","09:37:39",""
"7128470","23.9691","0.0005","31.1812","0.0006","19.7005","0.0005","90","","113.624","0.003","90","","13489.9","0.6","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 Br4 O4 S4 -","- C40 H45 Br4 O4 S4 -","- C480 H540 Br48 O48 S48 -","12","3","","Yamada, Manabu; Uemure, Fumiya; Katagiri, Hiroshi; Akimoto, Kazuhiko; Hamada, Fumio","Selective separation of branched alkane vapor by thiacalixarene supramolecular crystals having shape-recognition properties.","Chemical communications (Cambridge, England)","2021","57","51","6237","6240","10.1039/d1cc01931g","","","0.71073","MoKα","","0.1031","0.0622","","","0.1512","0.178","","","","","","1.027","","","","has coordinates,has disorder","266995","2021-07-05","16:11:45",""
"7128471","7.377","0.0008","11.8839","0.0013","12.493","0.0017","90.57","0.01","106.868","0.011","100.186","0.009","1029.4","0.2","293.15","","293.15","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H21 Cl F3 N O4 S -","- C17 H21 Cl F3 N O4 S -","- C34 H42 Cl2 F6 N2 O8 S2 -","2","1","","Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo","Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.","Chemical communications (Cambridge, England)","2021","57","56","6915","6918","10.1039/d1cc02952e","","x-ray","0.71073","MoKα","","0.138","0.0922","","","0.2428","0.275","","","","","","1.02","","","","has coordinates,has disorder","268520","2021-09-06","09:07:02",""
"7128472","7.0093","0.0011","8.9932","0.0009","14.7723","0.0015","93.204","0.008","99.536","0.01","96.869","0.01","909","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl N O4 S -","- C15 H24 Cl N O4 S -","- C30 H48 Cl2 N2 O8 S2 -","2","1","","Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo","Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.","Chemical communications (Cambridge, England)","2021","57","56","6915","6918","10.1039/d1cc02952e","","x-ray","0.71073","MoKα","","0.0764","0.0568","","","0.1324","0.1423","","","","","","1.132","","","","has coordinates,has disorder","268520","2021-09-06","09:07:02",""
"7128473","12.396","0.004","14.044","0.004","11.92","0.003","90","","118.17","0.04","90","","1829.3","1.1","293.15","","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br Cl2 N O4 S -","- C14 H18 Br Cl2 N O4 S -","- C56 H72 Br4 Cl8 N4 O16 S4 -","4","1","","Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo","Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.","Chemical communications (Cambridge, England)","2021","57","56","6915","6918","10.1039/d1cc02952e","","","0.71073","MoKα","","0.1256","0.0527","","","0.096","0.1205","","","","","","1.026","","","","has coordinates,has disorder","268520","2021-09-06","09:07:02",""
"7128474","6.5794","0.0009","8.0509","0.0019","33.122","0.006","90","","90.055","0.014","90","","1754.5","0.6","293.15","","293.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Br Cl N O4 S -","- C14 H17 Br Cl N O4 S -","- C56 H68 Br4 Cl4 N4 O16 S4 -","4","1","","Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo","Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.","Chemical communications (Cambridge, England)","2021","57","56","6915","6918","10.1039/d1cc02952e","","x-ray","0.71073","MoKα","","0.1033","0.0857","","","0.2062","0.2216","","","","","","1.052","","","","has coordinates","268520","2021-09-06","09:07:02",""
"7128475","14.1676","0.0019","21.601","0.003","23.423","0.004","90","","94.248","0.013","90","","7148.5","1.8","293","","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C32 H60 Cl N2 O4 S -","- C32 H60 Cl N2 O4 S -","- C256 H480 Cl8 N16 O32 S8 -","8","1","","Kodama, Yuki; Imai, Saki; Fujimoto, Junko; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo","Stereoselective synthesis of highly functionalized (<i>Z</i>)-chloroalkene dipeptide isosteres containing an α,α-disubstituted amino acid.","Chemical communications (Cambridge, England)","2021","57","56","6915","6918","10.1039/d1cc02952e","","x-ray","0.71073","MoKα","","0.1362","0.0619","","","0.1515","0.1905","","","","","","1.017","","","","has coordinates,has disorder","268520","2021-09-06","09:07:02",""
"7128476","11.919","0.0005","9.6321","0.0003","7.8264","0.0002","90","","117.547","0.003","90","","796.65","0.05","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Cd Cl2 Cu2 O6 Se2 -","- Cd Cl2 Cu2 O6 Se2 -","- Cd4 Cl8 Cu8 O24 Se8 -","4","0.5","","Zhang, Mengsi; Cui, Meiyan; Zhao, Zhiying; Huang, Xing; He, Zhangzhen","A spin-1/2 gapped compound CdCu<sub>2</sub>(SeO<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub> with a ladder structure.","Chemical communications (Cambridge, England)","2021","57","56","6923","6926","10.1039/d1cc02243a","","x-ray","0.71073","MoKα","","0.0205","0.0191","","","0.0476","0.0481","","","","","","1.179","","","","has coordinates","268516","2021-09-06","09:04:48",""
"7128477","9.5268","0.0003","25.088","0.0008","8.4177","0.0003","90","","111.28","0.002","90","","1874.73","0.11","215","2","215","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N5 O4 -","- C20 H21 N5 O4 -","- C80 H84 N20 O16 -","4","1","","Lei, Xiaofang; Lampiri, Panagiota; Patil, Pravin; Angeli, Giasemi; Neochoritis, Constantinos G.; Dömling, Alexander","A multicomponent tetrazolo indole synthesis.","Chemical communications (Cambridge, England)","2021","57","54","6652","6655","10.1039/d1cc02384e","","","1.54178","CuKα","","0.0822","0.0656","","","0.1793","0.1934","","","","","","1.435","","","","has coordinates","268591","2021-09-06","09:35:40",""
"7128478","25.8464","0.0008","5.1215","0.0001","20.1569","0.0014","90","","126.721","0.009","90","","2138.7","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ba2 N2 O15 -","- C12 H14 Ba2 N2 O15 -","- C48 H56 Ba8 N8 O60 -","4","0.5","","Ben Uliel, Tal; Farber, Eliyahu M.; Aviv, Hagit; Stroek, Wowa; Farbinteanu, Marilena; Tischler, Yaakov R.; Eisenberg, David","Combining polarized low-frequency Raman with XRD to identify directional structural motifs in a pyrolysis precursor.","Chemical communications (Cambridge, England)","2021","57","57","7015","7018","10.1039/d1cc00420d","","","0.71075","MoKα","","0.0195","0.0173","","","0.0476","0.0628","","","","","","1.232","","","","has coordinates","268543","2021-09-06","09:11:59",""
"7128479","7.264","0.0004","9.152","0.0004","14.573","0.0009","99.936","0.003","100.163","0.003","110.8","0.003","861.85","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Eisenberg2 (Eliyahu)","","","- C10 H22 Ba N2 O12 -","- C10 H22 Ba N2 O12 -","- C20 H44 Ba2 N4 O24 -","2","1","","Ben Uliel, Tal; Farber, Eliyahu M.; Aviv, Hagit; Stroek, Wowa; Farbinteanu, Marilena; Tischler, Yaakov R.; Eisenberg, David","Combining polarized low-frequency Raman with XRD to identify directional structural motifs in a pyrolysis precursor.","Chemical communications (Cambridge, England)","2021","57","57","7015","7018","10.1039/d1cc00420d","","","0.71073","MoKα","","0.0244","0.0234","","","0.0574","0.0579","","","","","","1.062","","","","has coordinates","268543","2021-09-06","09:12:01",""
"7128480","13.899","0.005","8.475","0.003","13.313","0.005","90","","95.606","0.008","90","","1560.7","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Eisenberg3b (Eliyahu)","","","- C10 H20 N2 O11 Sr -","- C10 H20 N2 O11 Sr -","- C40 H80 N8 O44 Sr4 -","4","1","","Ben Uliel, Tal; Farber, Eliyahu M.; Aviv, Hagit; Stroek, Wowa; Farbinteanu, Marilena; Tischler, Yaakov R.; Eisenberg, David","Combining polarized low-frequency Raman with XRD to identify directional structural motifs in a pyrolysis precursor.","Chemical communications (Cambridge, England)","2021","57","57","7015","7018","10.1039/d1cc00420d","","","0.71073","MoKα","","0.046","0.0305","","","0.0625","0.0664","","","","","","0.983","","","","has coordinates","268543","2021-09-06","09:12:04",""
"7128481","14.2829","0.0006","14.2829","0.0006","5.2532","0.0003","90","","90","","120","","928.08","0.08","273","2","273","2","","","","","","","","3","P -3","-P 3","147","","","","- C42 H24 O12 -","- C42 H24 O12 -","- C42 H24 O12 -","1","0.166667","","Hirohata, Tomoki; Shida, Naoki; Uekusa, Hidehiro; Yasuda, Nobuhiro; Nishihara, Hirotomo; Ogoshi, Tomoki; Tomita, Ikuyoshi; Inagi, Shinsuke","Pillar[6]quinone: facile synthesis, crystal structures and electrochemical properties.","Chemical communications (Cambridge, England)","2021","57","52","6360","6363","10.1039/d1cc02413b","","","0.81078","Synchrotron","","0.1055","0.0864","","","0.2377","0.2585","","","","","","1.076","","","","has coordinates","267013","2021-07-05","16:15:45",""
"7128482","9.0808","0.0012","10.5099","0.0014","11.796","0.0016","90","","90","","90","","1125.8","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C44 H48 Cl4 N4 O12 -","4","1","","Toda, Yasunori; Shishido, Minoru; Aoki, Tatsuya; Sukegawa, Kimiya; Suga, Hiroyuki","Switchable synthesis of cyclic carbamates by carbon dioxide fixation at atmospheric pressure.","Chemical communications (Cambridge, England)","2021","57","54","6672","6675","10.1039/d1cc02493k","","","0.71073","MoKα","","0.1527","0.0508","","","0.0754","0.1002","","","","","","0.982","","","","has coordinates","268600","2021-09-06","09:38:09",""
"7128483","6.554","0.0003","16.2084","0.0007","16.8478","0.0008","90","","90","","90","","1789.74","0.14","280","2","280.63","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","","Dai, Zhen-Yao; Wang, Pu-Sheng; Gong, Liu-Zhu","Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes.","Chemical communications (Cambridge, England)","2021","57","55","6748","6751","10.1039/d1cc02295d","","","1.34139","GaKα","","0.0731","0.045","","","0.0994","0.1141","","","","","","1.128","","","","has coordinates","268507","2021-09-06","09:02:52",""
"7128484","13.518","0.0007","8.3701","0.0004","19.8041","0.0011","90","","101.284","0.003","90","","2197.5","0.2","170","2","169.98","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H34 F12 N3 O6 P -","- C49 H34 F12 N3 O6 P -","- C98 H68 F24 N6 O12 P2 -","2","1","","Dai, Zhen-Yao; Wang, Pu-Sheng; Gong, Liu-Zhu","Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes.","Chemical communications (Cambridge, England)","2021","57","55","6748","6751","10.1039/d1cc02295d","","","1.34139","GaKα","","0.0905","0.0638","","","0.1576","0.1775","","","","","","1.16","","","","has coordinates","268507","2021-09-06","09:02:53",""
"7128485","11.6525","0.0006","13.4838","0.0007","13.7533","0.0007","92.055","0.002","103.119","0.002","111.67","0.002","1938.61","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H32 Cl2 F12 Fe N14 P2 -","- C26 H30 F12 Fe N14 P2 -","- C52 H60 F24 Fe2 N28 P4 -","2","1","","Dierks, Philipp; Kruse, Ayla; Bokareva, Olga S.; Al-Marri, Mohammed J; Kalmbach, Jens; Baltrun, Marc; Neuba, Adam; Schoch, Roland; Hohloch, Stephan; Heinze, Katja; Seitz, Michael; Kühn, Oliver; Lochbrunner, Stefan; Bauer, Matthias","Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes.","Chemical communications (Cambridge, England)","2021","57","54","6640","6643","10.1039/d1cc01716k","","","0.71073","MoKα","","0.0352","0.031","","","0.0797","0.0837","","","","","","1.038","","","","has coordinates","268592","2021-09-06","09:35:50",""
"7128486","8.5217","0.0014","36.898","0.006","13.416","0.002","90","","94.519","0.003","90","","4205.3","1.2","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl2 F12 Fe N14 P2 -","- C30 H38 F12 Fe N14 P2 -","- C120 H152 F48 Fe4 N56 P8 -","4","1","","Dierks, Philipp; Kruse, Ayla; Bokareva, Olga S.; Al-Marri, Mohammed J; Kalmbach, Jens; Baltrun, Marc; Neuba, Adam; Schoch, Roland; Hohloch, Stephan; Heinze, Katja; Seitz, Michael; Kühn, Oliver; Lochbrunner, Stefan; Bauer, Matthias","Distinct photodynamics of κ-N and κ-C pseudoisomeric iron(II) complexes.","Chemical communications (Cambridge, England)","2021","57","54","6640","6643","10.1039/d1cc01716k","","","0.71073","MoKα","","0.0981","0.0591","","","0.1354","0.1457","","","","","","0.954","","","","has coordinates,has disorder","268592","2021-09-06","09:35:54",""
"7128487","35.039","0.003","35.039","0.003","35.039","0.003","90","","90","","90","","43018","6","175","2","175","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C54 H73 Eu4 N4 O34 Zn6 -","- C54.0002 H73.0002 Eu4 N4 O34 Zn6 -","- C864.003 H1168 Eu64 N64 O544 Zn96 -","16","0.333333","","Ge, Rui; Liu, Jin-Hua; Li, Xin-Hao; Li, Ling-Yun; Sun, Yan-Qiong; Li, Zhikai; Li, Xin-Xiong; Zheng, Shou-Tian","Luminescent cluster-organic frameworks constructed from predesigned supertetrahedral {Ln<sub>4</sub>Zn<sub>6</sub>} secondary building units.","Chemical communications (Cambridge, England)","2021","57","56","6927","6930","10.1039/d1cc02727a","","","0.71073","MoKα","","0.0702","0.045","","","0.0991","0.1097","","","","","","1.074","","","","has coordinates","268518","2021-09-06","09:06:09",""
"7128488","13.8705","0.0003","13.8705","0.0003","22.5752","0.0008","90","","90","","90","","4343.3","0.2","175","2","175","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C60 H86 Eu4 N12 O43 Zn6 -","- C60 H86 Eu4 N12 O43 Zn6 -","- C120 H172 Eu8 N24 O86 Zn12 -","2","0.25","","Ge, Rui; Liu, Jin-Hua; Li, Xin-Hao; Li, Ling-Yun; Sun, Yan-Qiong; Li, Zhikai; Li, Xin-Xiong; Zheng, Shou-Tian","Luminescent cluster-organic frameworks constructed from predesigned supertetrahedral {Ln<sub>4</sub>Zn<sub>6</sub>} secondary building units.","Chemical communications (Cambridge, England)","2021","57","56","6927","6930","10.1039/d1cc02727a","","","0.71073","MoKα","","0.0469","0.0397","","","0.1029","0.1081","","","","","","1.073","","","","has coordinates","268518","2021-09-06","09:06:19",""
"7128489","7.68636","0.00012","17.1382","0.0003","18.5598","0.0003","90","","100.965","0.0017","90","","2400.25","0.07","108.85","0.1","108.85","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl N3 O Ru -","- C25 H32 Cl N3 O Ru -","- C100 H128 Cl4 N12 O4 Ru4 -","4","1","","Zhang, Bo; Duan, Yu'ai; Zhang, Xin; Guo, Shuai","Uncommon carbene-to-azole ligand rearrangement of N-heterocyclic carbenes in a ruthenium system.","Chemical communications (Cambridge, England)","2021","57","56","6879","6882","10.1039/d1cc01871j","","x-ray","0.71073","MoKα","","0.0272","0.0229","","","0.0536","0.0561","","","","","","1.059","","","","has coordinates","268519","2021-09-06","09:06:47",""
"7128490","9.7938","0.0002","13.4269","0.0002","14.9677","0.0002","66.924","0.001","77.554","0.002","79.592","0.001","1758.05","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H48 Cl N3 Ru -","- C41 H48 Cl N3 Ru -","- C82 H96 Cl2 N6 Ru2 -","2","1","","Zhang, Bo; Duan, Yu'ai; Zhang, Xin; Guo, Shuai","Uncommon carbene-to-azole ligand rearrangement of N-heterocyclic carbenes in a ruthenium system.","Chemical communications (Cambridge, England)","2021","57","56","6879","6882","10.1039/d1cc01871j","","x-ray","1.54184","CuKα","","0.0344","0.029","","","0.0743","0.0768","","","","","","1.061","","","","has coordinates,has disorder","268519","2021-09-06","09:06:48",""
"7128491","9.2936","0.0002","13.2026","0.0003","15.1517","0.0003","70.654","0.002","83.062","0.002","74.253","0.002","1687.32","0.07","294.7","0.4","294.7","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C33 H44 Cl N3 O4 Ru -","- C33 H44 Cl N3 O4 Ru -","- C66 H88 Cl2 N6 O8 Ru2 -","2","1","","Zhang, Bo; Duan, Yu'ai; Zhang, Xin; Guo, Shuai","Uncommon carbene-to-azole ligand rearrangement of N-heterocyclic carbenes in a ruthenium system.","Chemical communications (Cambridge, England)","2021","57","56","6879","6882","10.1039/d1cc01871j","","x-ray","0.71073","MoKα","","0.0396","0.0326","","","0.0837","0.0869","","","","","","1.055","","","","has coordinates,has disorder","268519","2021-09-06","09:06:48",""
"7128492","15.6278","0.0002","19.7257","0.0002","26.6898","0.0002","87.216","0.001","76.249","0.001","88.133","0.001","7980.52","0.15","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Cl3 N3 O Ru -","- C43 H51 Cl3 N3 O Ru -","- C344 H408 Cl24 N24 O8 Ru8 -","8","4","","Zhang, Bo; Duan, Yu'ai; Zhang, Xin; Guo, Shuai","Uncommon carbene-to-azole ligand rearrangement of N-heterocyclic carbenes in a ruthenium system.","Chemical communications (Cambridge, England)","2021","57","56","6879","6882","10.1039/d1cc01871j","","x-ray","1.54184","CuKα","","0.0704","0.0541","","","0.1518","0.1688","","","","","","1.05","","","","has coordinates,has disorder","268519","2021-09-06","09:06:48",""
"7128493","22.3564","0.0008","14.7681","0.0006","19.7942","0.0007","90","","99.722","0.001","90","","6441.4","0.4","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H40 Cl N3 Ru -","- C37 H40 Cl N3 Ru -","- C296 H320 Cl8 N24 Ru8 -","8","1","","Zhang, Bo; Duan, Yu'ai; Zhang, Xin; Guo, Shuai","Uncommon carbene-to-azole ligand rearrangement of N-heterocyclic carbenes in a ruthenium system.","Chemical communications (Cambridge, England)","2021","57","56","6879","6882","10.1039/d1cc01871j","","","0.71073","MoKα","","0.0242","0.0218","","","0.0513","0.0528","","","","","","1.055","","","","has coordinates","268519","2021-09-06","09:06:48",""
"7128494","9.8113","0.0002","12.0833","0.0004","12.1527","0.0003","82.005","0.002","82.769","0.002","71.726","0.003","1349.59","0.07","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 Si -","- C34 H32 N2 Si -","- C68 H64 N4 Si2 -","2","1","","Dong, Yafang; Sekine, Kohei; Kuninobu, Yoichiro","Facile synthesis of tribenzosilepins from terphenyls and dihydrosilanes by electrophilic double silylation.","Chemical communications (Cambridge, England)","2021","57","57","7007","7010","10.1039/d1cc02326h","","x-ray","0.71073","MoKα","","0.0386","0.0353","","","0.0929","0.095","","","","","","1.046","","","","has coordinates","268541","2021-09-06","09:11:30",""
"7128495","15.3334","0.0008","11.1613","0.0008","15.7358","0.0009","90","","91.89","0.005","90","","2691.6","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H58 N4 Si2 -","- C2.48 H2.32 N0.16 Si0.08 -","- C124 H116 N8 Si4 -","50","12.5","","Dong, Yafang; Sekine, Kohei; Kuninobu, Yoichiro","Facile synthesis of tribenzosilepins from terphenyls and dihydrosilanes by electrophilic double silylation.","Chemical communications (Cambridge, England)","2021","57","57","7007","7010","10.1039/d1cc02326h","","x-ray","0.71073","MoKα","","0.0791","0.0615","","","0.1631","0.172","","","","","","1.052","","","","has coordinates,has disorder","268541","2021-09-06","09:11:33",""
"7128496","9.192","0.0003","20.3292","0.0006","20.1781","0.0005","90","","90.337","0.002","90","","3770.54","0.19","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 N2 O2 Si -","- C48 H42 N2 O2 Si -","- C192 H168 N8 O8 Si4 -","4","1","","Dong, Yafang; Sekine, Kohei; Kuninobu, Yoichiro","Facile synthesis of tribenzosilepins from terphenyls and dihydrosilanes by electrophilic double silylation.","Chemical communications (Cambridge, England)","2021","57","57","7007","7010","10.1039/d1cc02326h","","x-ray","0.71073","MoKα","","0.047","0.0389","","","0.0998","0.1042","","","","","","1.051","","","","has coordinates","268541","2021-09-06","09:11:35",""
"7128497","6.9273","0.0011","7.8721","0.0011","23.101","0.002","90","","92.56","0.012","90","","1258.5","0.3","150.01","0.13","150.01","0.13","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 N O -","- C19 H11 N O -","- C76 H44 N4 O4 -","4","1","","Aher, Yogesh N.; Pawar, Amit B.","Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones","Chemical Communications","2021","","","","","10.1039/D1CC02817K","","x-ray","1.54184","CuKα","","0.1626","0.0886","","","0.2058","0.2821","","","","","","0.992","","","","has coordinates","266503","2021-06-17","01:03:42",""
"7128498","24.572","0.002","6.9489","0.0007","7.4796","0.0007","90","","90","","90","","1277.1","0.2","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H10 Cl N O -","- C16 H10 Cl N O -","- C64 H40 Cl4 N4 O4 -","4","1","","Aher, Yogesh N.; Pawar, Amit B.","Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones","Chemical Communications","2021","","","","","10.1039/D1CC02817K","","x-ray","1.54184","CuKα","","0.1279","0.0845","","","0.2223","0.2889","","","","","","1.067","","","","has coordinates","266503","2021-06-17","01:03:42",""
"7128499","5.063","0.0007","6.0703","0.0011","36.335","0.005","90","","90","","90","","1116.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C60 H32 Br4 N4 O4 -","4","1","","Aher, Yogesh N.; Pawar, Amit B.","Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones","Chemical Communications","2021","","","","","10.1039/D1CC02817K","","x-ray","1.54184","CuKα","","0.0658","0.0553","","","0.1331","0.137","","","","","","1.066","","","","has coordinates","266503","2021-06-17","01:03:42",""
"7128500","7.554","0.002","25.682","0.004","7.4204","0.0018","90","","117.47","0.03","90","","1277.3","0.6","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cl N O S -","- C16 H10 Cl N O S -","- C64 H40 Cl4 N4 O4 S4 -","4","1","","Aher, Yogesh N.; Pawar, Amit B.","Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones","Chemical Communications","2021","","","","","10.1039/D1CC02817K","","x-ray","1.54184","CuKα","","0.145","0.0936","","","0.2445","0.3183","","","","","","1.126","","","","has coordinates","266503","2021-06-17","01:03:42",""
"7128501","4.9825","0.0007","9.7519","0.0012","6.9741","0.001","90","","93.55","0.012","90","","338.21","0.08","99.97","0.17","99.97","0.17","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Ga2 H2 O9 S Te -","- Ga2 H2 O9 S Te -","- Ga4 H4 O18 S2 Te2 -","2","0.5","","Li, Peng-Fei; Hu, Chun-Li; Gong, Ya-Ping; Kong, Fang; Mao, Jiang-Gao","Hg<sub>3</sub>(Te<sub>3</sub>O<sub>8</sub>)(SO<sub>4</sub>): a new sulfate tellurite with a novel structure and large birefringence explored from d<sup>10</sup> metal compounds.","Chemical communications (Cambridge, England)","2021","57","57","7039","7042","10.1039/d1cc02494a","","","0.71073","MoKα","","0.0448","0.0345","","","0.071","0.0782","","","","","","1.056","","","","has coordinates","268540","2021-09-06","09:11:11",""
"7128502","22.8452","0.0016","5.4594","0.0003","15.6547","0.0013","90","","99.598","0.007","90","","1925.1","0.2","290.55","0.1","290.55","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H2 O23 S2 Te6 Zn4 -","- H2 O23 S2 Te6 Zn4 -","- H8 O92 S8 Te24 Zn16 -","4","0.5","","Li, Peng-Fei; Hu, Chun-Li; Gong, Ya-Ping; Kong, Fang; Mao, Jiang-Gao","Hg<sub>3</sub>(Te<sub>3</sub>O<sub>8</sub>)(SO<sub>4</sub>): a new sulfate tellurite with a novel structure and large birefringence explored from d<sup>10</sup> metal compounds.","Chemical communications (Cambridge, England)","2021","57","57","7039","7042","10.1039/d1cc02494a","","","0.71073","MoKα","","0.0311","0.0289","","","0.0659","0.0672","","","","","","1.093","","","","has coordinates","268540","2021-09-06","09:11:11",""
"7128503","17.6356","0.0014","6.7576","0.0004","16.455","0.0012","90","","107.394","0.008","90","","1871.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- H2 In2 O11 S Te2 -","- H2 In2 O11 S Te2 -","- H16 In16 O88 S8 Te16 -","8","1","","Li, Peng-Fei; Hu, Chun-Li; Gong, Ya-Ping; Kong, Fang; Mao, Jiang-Gao","Hg<sub>3</sub>(Te<sub>3</sub>O<sub>8</sub>)(SO<sub>4</sub>): a new sulfate tellurite with a novel structure and large birefringence explored from d<sup>10</sup> metal compounds.","Chemical communications (Cambridge, England)","2021","57","57","7039","7042","10.1039/d1cc02494a","","","0.71073","MoKα","","0.0289","0.0246","","","0.0567","0.0598","","","","","","0.992","","","","has coordinates","268540","2021-09-06","09:11:11",""
"7128504","6.4986","0.0006","9.7848","0.0009","10.7128","0.001","67.178","0.009","72.622","0.009","73.471","0.008","588.1","0.1","290.62","0.1","290.62","0.1","","","","","","","","4","P -1","-P 1","2","","","","- Hg3 O12 S Te3 -","- Hg3 O12 S Te3 -","- Hg6 O24 S2 Te6 -","2","1","","Li, Peng-Fei; Hu, Chun-Li; Gong, Ya-Ping; Kong, Fang; Mao, Jiang-Gao","Hg<sub>3</sub>(Te<sub>3</sub>O<sub>8</sub>)(SO<sub>4</sub>): a new sulfate tellurite with a novel structure and large birefringence explored from d<sup>10</sup> metal compounds.","Chemical communications (Cambridge, England)","2021","57","57","7039","7042","10.1039/d1cc02494a","","","0.71073","MoKα","","0.0497","0.0398","","","0.0889","0.0958","","","","","","1.059","","","","has coordinates","268540","2021-09-06","09:11:11",""
"7128505","11.47","0.0004","23.4314","0.0008","7.3958","0.0003","90","","90","","90","","1987.68","0.13","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H25 N2 O8 P -","- C16 H25 N2 O8 P -","- C64 H100 N8 O32 P4 -","4","1","","Altenhofer, Erich F.; Lawler, Michael J.; Kumar, Pankaj; Joyce, Leo A.; Fowler-Watters, Matthew; Pei, Tao; Li, Zhen","Synthesis of a novel cyclopropyl phosphonate nucleotide as a phosphate mimic.","Chemical communications (Cambridge, England)","2021","57","55","6808","6811","10.1039/d1cc02328d","","","1.54178","CuKα","","0.0632","0.0617","","","0.1638","0.1661","","","","","","1.052","","","","has coordinates,has disorder","268512","2021-09-06","09:03:42",""
"7128506","22.3453","0.0005","14.735","0.0003","16.3947","0.0003","90","","90.3187","0.0018","90","","5398","0.19","173.1","0.14","173.1","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H82 Al2 N4 S2 -","- C58 H82 Al2 N4 S2 -","- C232 H328 Al8 N16 S8 -","4","0.5","","Sheldon, Daniel James; Crimmin, Mark Richard","Complete Deconstruction of SF6 by an Aluminium(I) Compound","Chemical Communications","2021","","","","","10.1039/D1CC02838C","","x-ray","1.54184","CuKα","","0.0688","0.0564","","","0.1563","0.1734","","","","","","1.066","","","","has coordinates","266506","2021-06-17","01:05:51",""
"7128507","47.954","0.002","47.954","0.002","13.5821","0.001","90","","90","","120","","27049","3","90","","90","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C51.37 H64.89 N O6.63 -","- C51.369 H64.886 N O6.633 -","- C924.642 H1167.95 N18 O119.394 -","18","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.145","0.1069","","","0.2897","0.3237","","","","","","1.035","","","","has coordinates,has disorder","268544","2021-09-06","09:12:29",""
"7128508","11.902","0.003","13.335","0.003","18.233","0.004","80.776","0.007","82.656","0.009","70.927","0.008","2690.7","1.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H84 N2 O3 -","- C56 H78 N2 O2 -","- C112 H156 N4 O4 -","2","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.1233","0.0901","","","0.2354","0.2583","","","","","","1.05","","","","has coordinates","268544","2021-09-06","09:12:31",""
"7128509","13.569","0.003","10.997","0.002","28.205","0.005","90","","102.296","0.006","90","","4112.2","1.4","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H66 N O3 -","- C41 H66 N O3 -","- C164 H264 N4 O12 -","4","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.1653","0.1186","","","0.2448","0.2646","","","","","","1.166","","","","has coordinates","268544","2021-09-06","09:12:34",""
"7128510","13.767","0.002","9.1739","0.0016","29.862","0.005","90","","92.477","0.006","90","","3768","1.1","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 N O3 -","- C44 H53 N O3 -","- C176 H212 N4 O12 -","4","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.1551","0.1054","","","0.258","0.2961","","","","","","1.028","","","","has coordinates","268544","2021-09-06","09:12:36",""
"7128511","15.404","0.002","15.899","0.002","17.995","0.002","90","","90","","90","","4407.1","0.9","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 Br2 N2 O2 -","- C44 H68 Br2 N2 O2 -","- C176 H272 Br8 N8 O8 -","4","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.0731","0.0547","","","0.1223","0.1307","","","","","","1.025","","","","has coordinates","268544","2021-09-06","09:12:36",""
"7128512","10.1504","0.0004","10.2597","0.0004","26.1604","0.001","84.653","0.003","87.864","0.003","75.323","0.003","2623.72","0.18","290","2","290","2","","","","","","","","3","P -1","-P 1","2","","","","- C77 H14 O3 -","- C77 H14 O3 -","- C154 H28 O6 -","2","1","","Lu, Wen-Qiang; Zhou, Dian-Bing; Yin, Zheng-Chun; Liu, Qing-Song; Wang, Guan-Wu","A copper-promoted synthesis of epoxy-bridged [60]fullerene-fused lactones and further derivatization.","Chemical communications (Cambridge, England)","2021","57","57","7043","7046","10.1039/d1cc02669k","","","1.54184","CuKα","","0.09","0.074","","","0.2093","0.2204","","","","","","0.997","","","","has coordinates","268545","2021-09-06","09:12:46",""
"7128513","12.4956","0.00018","21.1248","0.0005","16.7633","0.0003","90","","90","","90","","4424.96","0.15","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C77 H13 O2 S4 -","- C77 H13 O2 S4 -","- C308 H52 O8 S16 -","4","0.5","","Lu, Wen-Qiang; Zhou, Dian-Bing; Yin, Zheng-Chun; Liu, Qing-Song; Wang, Guan-Wu","A copper-promoted synthesis of epoxy-bridged [60]fullerene-fused lactones and further derivatization.","Chemical communications (Cambridge, England)","2021","57","57","7043","7046","10.1039/d1cc02669k","","x-ray","1.54184","CuKα","","0.0748","0.0659","","","0.1622","0.1692","","","","","","1.086","","","","has coordinates","268545","2021-09-06","09:12:46",""
"7128514","17.0004","0.0004","11.7535","0.0003","7.8717","0.0002","90","","102.624","0.001","90","","1534.85","0.07","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O4 S2 -","- C15 H15 N O4 S2 -","- C60 H60 N4 O16 S8 -","4","1","","Zeng, Linwei; Jin, Jian; He, Jixiao; Cui, Sunliang","Photo-induced synthesis of β-sulfonyl imides from carboxylic acids.","Chemical communications (Cambridge, England)","2021","57","55","6792","6795","10.1039/d1cc02559g","","","0.71073","MoKα","","0.032","0.0296","","","0.0756","0.0778","","","","","","1.06","","","","has coordinates","268511","2021-09-06","09:03:34",""
"7128515","7.266","0.003","11.193","0.004","14.501","0.005","70.164","0.013","79.38","0.016","81.797","0.018","1086.3","0.7","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O7 S -","- C22 H22 N2 O7 S -","- C44 H44 N4 O14 S2 -","2","1","","Zeng, Linwei; Jin, Jian; He, Jixiao; Cui, Sunliang","Photo-induced synthesis of β-sulfonyl imides from carboxylic acids.","Chemical communications (Cambridge, England)","2021","57","55","6792","6795","10.1039/d1cc02559g","","","0.71073","MoKα","","0.0391","0.0356","","","0.088","0.0909","","","","","","1.06","","","","has coordinates","268511","2021-09-06","09:03:35",""
"7128516","26.3794","0.0016","26.3794","","8.4535","0.0005","90","","90","","90","","5882.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","I 41/a :2","-I 4ad","88","","","","- C18 H15 O P -","- C18 H15 O P -","- C288 H240 O16 P16 -","16","1","","Garcia-Marquez, Alfonso; Frontera, Antonio; Roisnel, Thierry; Gramage-Doria, Rafael","Ultrashort Hδ+ ··· Hδ- intermolecular distance in a supramolecular system in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC02143E","","x-ray","0.71073","MoKα","","0.058","0.0435","","","0.0996","0.1084","","","","","","1.081","","","","has coordinates","266572","2021-06-19","00:41:15",""
"7128517","18.645","0.003","9.6032","0.0015","18.583","0.003","90","","107.6","0.006","90","","3171.6","0.9","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B O P -","- C18 H18 B O P -","- C144 H144 B8 O8 P8 -","8","2","","Garcia-Marquez, Alfonso; Frontera, Antonio; Roisnel, Thierry; Gramage-Doria, Rafael","Ultrashort Hδ+ ··· Hδ- intermolecular distance in a supramolecular system in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC02143E","","x-ray","0.71073","MoKα","","0.1466","0.1179","","","0.28","0.3","","","","","","1.194","","","","has coordinates,has disorder","266572","2021-06-19","00:41:15",""
"7128518","11.8829","0.0011","15.5031","0.0014","23.241","0.002","90","","90","","90","","4281.5","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H56 Cl N2 P Si -","- C48 H56 Cl N2 P Si -","- C192 H224 Cl4 N8 P4 Si4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.","Chemical communications (Cambridge, England)","2021","57","55","6728","6731","10.1039/d1cc02812j","","","0.71073","MoKα","","0.0599","0.0446","","","0.0868","0.0906","","","","","","1.01","","","","has coordinates","268509","2021-09-06","09:03:15",""
"7128519","10.6138","0.0009","18.8185","0.0016","19.6086","0.0017","90","","92.119","0.001","90","","3913.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H49 Fe N2 O2 P Si -","- C43 H49 Fe N2 O2 P Si -","- C172 H196 Fe4 N8 O8 P4 Si4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.","Chemical communications (Cambridge, England)","2021","57","55","6728","6731","10.1039/d1cc02812j","","","0.71073","MoKα","","0.0479","0.0354","","","0.0819","0.0854","","","","","","1.01","","","","has coordinates","268509","2021-09-06","09:03:17",""
"7128520","10.5282","0.0008","37.197","0.003","17.983","0.0017","90","","103.127","0.001","90","","6858.4","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 Cl2 N2 P Si -","- C36 H45 Cl2 N2 P Si -","- C288 H360 Cl16 N16 P8 Si8 -","8","2","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.","Chemical communications (Cambridge, England)","2021","57","55","6728","6731","10.1039/d1cc02812j","","","0.71073","MoKα","","0.0875","0.0663","","","0.1422","0.1668","","","","","","1.047","","","","has coordinates","268509","2021-09-06","09:03:17",""
"7128521","19.752","0.0008","18.912","0.0008","22.5192","0.0009","90","","92.001","0.001","90","","8406.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N3 P Si3 -","- C42 H62 N3 P Si3 -","- C336 H496 N24 P8 Si24 -","8","2","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.","Chemical communications (Cambridge, England)","2021","57","55","6728","6731","10.1039/d1cc02812j","","","0.71073","MoKα","","0.1018","0.0695","","","0.1676","0.1993","","","","","","1.053","","","","has coordinates","268509","2021-09-06","09:03:17",""
"7128522","11.0279","0.0012","7.6848","0.0009","24.244","0.003","90","","90","","90","","2054.6","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Cl F O2 -","- C10 H10 Cl F O2 -","- C80 H80 Cl8 F8 O16 -","8","1","","Hao, Fei; Shang, Xueyun; Liu, Zhenwei; Zhang, He; Lin, Jin-Hong; Xiao, Ji-Chang","Rh-catalyzed tunable defluorinative borylation.","Chemical communications (Cambridge, England)","2021","57","58","7124","7127","10.1039/d1cc02079j","","","0.71073","MoKα","","0.0905","0.0826","","","0.2336","0.2415","","","","","","1.116","","","","has coordinates,has disorder","268514","2021-09-06","09:04:21",""
"7128523","9.0099","0.0013","10.366","0.0015","11.4985","0.0016","67.411","0.002","86.553","0.002","87.881","0.002","989.6","0.2","296","2","296.15","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H21 N -","- C27 H21 N -","- C54 H42 N2 -","2","1","","Chen, Xinyu; Yang, Na; Zeng, Wen; Wang, Lei; Li, Pinhua; Li, Hongji","Metal-free dearomative [5+2]/[2+2] cycloaddition of 1<i>H</i>-indoles with <i>ortho</i>-(trimethylsilyl)aryl triflates.","Chemical communications (Cambridge, England)","2021","57","57","7047","7050","10.1039/d1cc02550c","","","0.71073","MoKα","","0.1054","0.0582","","","0.141","0.1679","","","","","","1.007","","","","has coordinates","268546","2021-09-06","09:12:55",""
"7128524","18.566","0.002","5.4612","0.0007","14.391","0.002","90","","90","","90","","1459.1","0.3","296","2","296.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Chen, Xinyu; Yang, Na; Zeng, Wen; Wang, Lei; Li, Pinhua; Li, Hongji","Metal-free dearomative [5+2]/[2+2] cycloaddition of 1<i>H</i>-indoles with <i>ortho</i>-(trimethylsilyl)aryl triflates.","Chemical communications (Cambridge, England)","2021","57","57","7047","7050","10.1039/d1cc02550c","","","0.71073","MoKα","","0.0866","0.0503","","","0.0844","0.0915","","","","","","1.025","","","","has coordinates","268546","2021-09-06","09:12:55",""
"7128525","27.124","0.003","7.6958","0.0015","16.5624","0.0016","90","","92.951","0.011","90","","3452.7","0.8","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C152 H144 N16 O24 S8 -","8","1","","Hu, Weican; Zhang, Feiyang; Chen, Chen; Qi, Tianhang; Shen, Yanlong; Qian, Guoying; Rong, Zhouting","Metal-free C8-H functionalization of quinoline <i>N</i>-oxides with ynamides.","Chemical communications (Cambridge, England)","2021","57","57","6995","6998","10.1039/d1cc02138a","","x-ray","0.71073","MoKα","","0.1497","0.1076","","","0.2587","0.2998","","","","","","1.0482","","","","has coordinates","268542","2021-09-06","09:11:50",""
"7128526","11.673","0.003","15.834","0.004","22.536","0.005","90","","93.934","0.006","90","","4155.5","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H21 B F25 N6 V -","- C42 H21 B F25 N6 V -","- C168 H84 B4 F100 N24 V4 -","4","1","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.0457","0.0329","","","0.0689","0.0754","","","","","","1.011","","","","has coordinates","268517","2021-09-06","09:05:37",""
"7128527","13.184","0.004","13.184","0.004","25.133","0.01","90","","90","","120","","3783","2","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H13 F15 N5 V -","- C24 H13 F15 N5 V -","- C144 H78 F90 N30 V6 -","6","0.333333","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.2272","0.0836","","","0.0632","0.0814","","","","","","1.093","","","","has coordinates","268517","2021-09-06","09:05:40",""
"7128528","36.734","0.014","36.734","0.014","27.197","0.01","90","","90","","120","","31783","2","100","2","100.03","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H14 B F25 K N6 V -","- C36 H14 B F25 K N6 V -","- C648 H252 B18 F450 K18 N108 V18 -","18","1","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.2326","0.0846","","","0.2049","0.2798","","","","","","0.852","","","","has coordinates","268517","2021-09-06","09:05:49",""
"7128529","12.4395","0.0019","13.2732","0.0019","20.002","0.003","103.157","0.004","97.11","0.004","108.906","0.004","2971.6","0.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H43 B Br Co F24 N6 V -","- C62 H43 B Br Co F24 N6 V -","- C124 H86 B2 Br2 Co2 F48 N12 V2 -","2","1","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.0742","0.0574","","","0.1262","0.1365","","","","","","0.956","","","","has coordinates","268517","2021-09-06","09:05:52",""
"7128530","28.801","0.003","27.597","0.002","17.8997","0.0017","90","","121.133","0.002","90","","12177.9","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H33 B Co F25 N6 V -","- C62 H33 B Co F25 N6 V -","- C496 H264 B8 Co8 F200 N48 V8 -","8","1","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.0904","0.06","","","0.1584","0.1854","","","","","","0.996","","","","has coordinates,has disorder","268517","2021-09-06","09:05:52",""
"7128531","38.933","0.017","11.079","0.005","29.911","0.013","90","","105.567","0.006","90","","12429","9","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H47 B Co F30 N5 O1.5 V -","- C64 H42 B Co F30 N5 O1.5 V -","- C512 H336 B8 Co8 F240 N40 O12 V8 -","8","1","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.1413","0.0887","","","0.2251","0.27","","","","","","0.983","","","","has coordinates","268517","2021-09-06","09:05:52",""
"7128532","27.094","0.005","11.888","0.002","40.475","0.008","90","","94.917","0.004","90","","12989","4","100","2","100","2","","","","","","","","9","P 1 2/n 1","-P 2yac","13","","","","- C66 H57 B Co F25 N5 O S V -","- C66 H57 B Co F25 N5 O S V -","- C528 H456 B8 Co8 F200 N40 O8 S8 V8 -","8","2","","Wong, Anthony; Chakraborty, Arunavo; Bawari, Deependra; Wu, Guang; Dobrovetsky, Roman; Ménard, Gabriel","Facile proton-coupled electron transfer enabled by coordination-induced E-H bond weakening to boron.","Chemical communications (Cambridge, England)","2021","57","56","6903","6906","10.1039/d1cc02832d","","","0.71073","MoKα","","0.2397","0.1545","","","0.2872","0.3167","","","","","","1.214","","","","has coordinates","268517","2021-09-06","09:05:52",""
"7128533","8.4373","0.0015","8.8696","0.0018","15.702","0.003","90","","99.385","0.005","90","","1159.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei","Tunable microstructures of ultralong organic phosphorescence materials.","Chemical communications (Cambridge, England)","2021","57","59","7276","7279","10.1039/d1cc01563j","","","0.71073","MoKα","","0.0675","0.0398","","","0.0989","0.112","","","","","","1.027","","","","has coordinates","268589","2021-09-06","09:35:19",""
"7128534","8.462","0.003","8.889","0.003","15.712","0.005","90","","99.317","0.009","90","","1166.2","0.7","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei","Tunable microstructures of ultralong organic phosphorescence materials.","Chemical communications (Cambridge, England)","2021","57","59","7276","7279","10.1039/d1cc01563j","","","0.71073","MoKα","","0.0829","0.0444","","","0.116","0.1344","","","","","","1.025","","","","has coordinates","268589","2021-09-06","09:35:19",""
"7128535","8.71","0.003","17.149","0.005","8.657","0.003","90","","116.339","0.005","90","","1158.8","0.7","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 Br2 N2 -","- C30 H18 Br2 N2 -","- C60 H36 Br4 N4 -","2","0.5","","Liu, Kun; Huang, Kaiwei; Lv, Anqi; Ye, Wenpeng; Yang, Yijun; Shen, Kang; Zhi, Jiahuan; Wang, He; Zhang, Renxiang; Wang, Jiamin; Ma, Huili; Shi, Huifang; Yao, Wei; An, Zhongfu; Huang, Wei","Tunable microstructures of ultralong organic phosphorescence materials.","Chemical communications (Cambridge, England)","2021","57","59","7276","7279","10.1039/d1cc01563j","","","0.71073","MoKα","","0.0631","0.0409","","","0.0879","0.0966","","","","","","1.075","","","","has coordinates","268589","2021-09-06","09:35:19",""
"7128536","21.689","0.002","23.58","0.002","24.848","0.003","97.165","0.002","110.855","0.002","115.142","0.002","10162.1","1.8","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","cluster-1","","- C250 H264 Eu18 N16 O107 -","- C250 H264 Eu18 N16 O107 -","- C250 H264 Eu18 N16 O107 -","1","0.5","","Ma, Yanan; Yang, Xiaoping; Xiao, Zhiyin; Liu, Xiaoming; Shi, Dongliang; Niu, Mengyu; Schipper, Desmond","One high-nuclearity Eu<sub>18</sub> nanoring with rapid ratiometric fluorescence response to dipicolinic acid (an anthrax biomarker).","Chemical communications (Cambridge, England)","2021","57","59","7316","7319","10.1039/d1cc01706c","","","0.71073","MoKα","","0.1441","0.0804","","","0.1712","0.2159","","","","","","1.163","","","","has coordinates","268586","2021-09-06","09:34:24",""
"7128537","6.1683","0.0009","18.221","0.003","8.3375","0.0014","90","","100.838","0.005","90","","920.4","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C42 H42 N2 O4 S2 -","2","1","","Gogoi, Manash Protim; Vanjari, Rajeshwer; Prabagar, B.; Yang, Shengwen; Dutta, Shubham; Mallick, Rajendra K.; Gandon, Vincent; Sahoo, Akhila K.","Yb(iii)-catalysed syn-thioallylation of ynamides.","Chemical communications (Cambridge, England)","2021","57","61","7521","7524","10.1039/d1cc02611a","","","0.71073","MoKα","","0.0316","0.0287","","","0.073","0.0744","","","","","","1.056","","","","has coordinates","268494","2021-09-06","08:51:27",""
"7128538","16.6558","0.0003","11.3245","0.0003","23.4109","0.0004","90","","90","","90","","4415.73","0.16","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H64 Br2 Cr2 N2 O18 -","- C28 H64 Br2 Cr2 N2 O18 -","- C112 H256 Br8 Cr8 N8 O72 -","4","1","","Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting","Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.","Chemical communications (Cambridge, England)","2021","57","59","7292","7295","10.1039/d1cc02061g","","","1.54178","CuKα","","0.0926","0.0799","","","0.2401","0.2632","","","","","","1.041","","","","has coordinates,has disorder","268581","2021-09-06","09:32:58",""
"7128539","8.417","0.004","11.396","0.005","23.622","0.01","90","","90","","90","","2265.8","1.8","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H32 Br Cr N O9 -","- C14 H32 Br Cr N O9 -","- C56 H128 Br4 Cr4 N4 O36 -","4","0.5","","Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting","Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.","Chemical communications (Cambridge, England)","2021","57","59","7292","7295","10.1039/d1cc02061g","","","0.71073","MoKα","","0.0872","0.0569","","","0.1587","0.1825","","","","","","1.031","","","","has coordinates,has disorder","268581","2021-09-06","09:33:03",""
"7128540","8.6959","0.0003","11.6717","0.0005","12.2829","0.0005","109.137","0.004","98.956","0.003","98.155","0.003","1138.29","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 Br2 Cr N O9 -","- C14 H31 Br2 Cr N O9 -","- C28 H62 Br4 Cr2 N2 O18 -","2","1","","Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting","Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.","Chemical communications (Cambridge, England)","2021","57","59","7292","7295","10.1039/d1cc02061g","","","0.71073","MoKα","","0.0825","0.0567","","","0.1331","0.1464","","","","","","1.066","","","","has coordinates,has disorder","268581","2021-09-06","09:33:08",""
"7128541","8.7327","0.0003","11.6396","0.0004","12.0019","0.0004","107.718","0.002","100.411","0.002","98.142","0.002","1117.48","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H31 Br2 Cr N O9 -","- C14 H31 Br2 Cr N O9 -","- C28 H62 Br4 Cr2 N2 O18 -","2","1","","Zhou, Xun-Hui; Zeng, Ying; Tang, Shao-Bin; Yu, Zi-Ru; Cao, Li-Ming; Du, Zi-Yi; He, Chun-Ting","Solid solutions of flexible host-guest supramolecules for tuning molecular motion and phase transitions.","Chemical communications (Cambridge, England)","2021","57","59","7292","7295","10.1039/d1cc02061g","","","0.71073","MoKα","","0.0261","0.021","","","0.0522","0.0538","","","","","","1.029","","","","has coordinates","268581","2021-09-06","09:33:10",""
"7128542","9.3047","0.0002","9.9702","0.0002","17.0352","0.0004","73.988","0.001","80.773","0.001","80.419","0.001","1486.89","0.06","193","2","193.01","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Br2 F3 N O5 -","- C33 H24 Br2 F3 N O5 -","- C66 H48 Br4 F6 N2 O10 -","2","1","","Rong, Binsen; Xu, Gaochen; Yan, Huan; Zhang, Sai; Wu, Qinghuan; Zhu, Ning; Duan, Jindian; Guo, Kai","The copper-catalyzed synthesis of dihydrooxazoles from α,β-unsaturated ketoximes and activated ketones.","Chemical communications (Cambridge, England)","2021","57","59","7272","7275","10.1039/d1cc02422a","","","1.34139","GaKα","","0.0723","0.0465","","","0.0957","0.1098","","","","","","1.032","","","","has coordinates","268582","2021-09-06","09:33:24",""
"7128543","6.85821","0.00012","12.4948","0.0003","15.2391","0.0003","72.5999","0.0017","78.0024","0.0016","89.0863","0.0016","1217.4","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 Cl2 N O7 -","- C24 H25 Cl2 N O7 -","- C48 H50 Cl4 N2 O14 -","2","1","","Giel, Marie-Claire; Barrow, Andrew S.; Smedley, Christopher J.; Lewis, William; Moses, John E.","Aminium cation-radical catalysed selective hydration of (<i>E</i>)-aryl enynes.","Chemical communications (Cambridge, England)","2021","57","57","6991","6994","10.1039/d1cc02257a","","x-ray","1.54184","CuKα","","0.056","0.0532","","","0.132","0.1339","","","","","","1.053","","","","has coordinates,has disorder","268539","2021-09-06","09:11:03",""
"7128544","11.2665","0.0004","7.248","0.0003","15.249","0.0006","90","","90","","90","","1245.23","0.08","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H12 Au2 Cu N8 -","- C4 H12 Au2 Cu N8 -","- C16 H48 Au8 Cu4 N32 -","4","0.5","","Priola, Emanuele; Mahmoudi, Ghodrat; Andreo, Jacopo; Frontera, Antonio","Unprecedented [d<sup>9</sup>]Cu[d<sup>10</sup>]Au coinage bonding interactions in {Cu(NH<sub>3</sub>)<sub>4</sub>[Au(CN)<sub>2</sub>]}<sup>+</sup>[Au(CN)<sub>2</sub>]<sup>-</sup> salt.","Chemical communications (Cambridge, England)","2021","57","59","7268","7271","10.1039/d1cc02709c","","x-ray","0.71073","MoKα","","0.0348","0.0299","","","0.0787","0.0815","","","","","","1.0224","","","","has coordinates","268583","2021-09-06","09:33:43",""
"7128545","15.6461","0.0003","16.2709","0.0004","18.7924","0.0003","85.101","0.002","69.035","0.002","82.861","0.002","4428.42","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","[K(2,2,2-crypt)]2Ni[Ge9{Si(SiMe3)}3]2*2THF","","- C98 H250 Ge18 K2 N4 Ni O14 Si24 -","- C98 H250 Ge18 K2 N4 Ni O14 Si24 -","- C98 H250 Ge18 K2 N4 Ni O14 Si24 -","1","0.5","","Townrow, Oliver P. E.; Weller, Andrew S.; Goicoechea, Jose M.","Cluster expansion and vertex substitution pathways in nickel germanide Zintl clusters","Chemical Communications","2021","","","","","10.1039/D1CC02912F","","","1.54184","CuKα","","0.0435","0.0317","","","0.0753","0.0837","","","","","","1.055","","","","has coordinates","266645","2021-06-24","00:38:22",""
"7128546","9.5585","0.0004","14.6574","0.0006","27.0969","0.0012","97.455","0.004","97.365","0.004","102.627","0.003","3624.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Ge8{Si(SiMe3)}3NiCp*1.5tol","","- C42.5 H98 Ge8 Ni Si12 -","- C42.5 H98 Ge8 Ni Si12 -","- C85 H196 Ge16 Ni2 Si24 -","2","1","","Townrow, Oliver P. E.; Weller, Andrew S.; Goicoechea, Jose M.","Cluster expansion and vertex substitution pathways in nickel germanide Zintl clusters","Chemical Communications","2021","","","","","10.1039/D1CC02912F","","","1.54184","CuKα","","0.0924","0.0532","","","0.1111","0.1328","","","","","","0.931","","","","has coordinates,has disorder","266645","2021-06-24","00:38:23",""
"7128547","9.73","0.0002","11.7702","0.0003","16.4807","0.0004","90","","90","","90","","1887.44","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 S -","- C17 H26 N2 O4 S -","- C68 H104 N8 O16 S4 -","4","1","","Xiong, Qian; Luo, Qiliang; Zhang, Tinghui; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric multicomponent reactions of isocyanide, isothiocyanate and alkylidene malonates.","Chemical communications (Cambridge, England)","2021","57","59","7288","7291","10.1039/d1cc02939h","","","1.54178","CuKα","","0.0256","0.0252","","","0.0699","0.0704","","","","","","1.101","","","","has coordinates","268585","2021-09-06","09:34:11",""
"7128548","12.4981","0.0005","17.3226","0.0008","8.4593","0.0004","90","","90","","90","","1831.43","0.14","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H22 N2 O4 S -","- C18 H22 N2 O4 S -","- C72 H88 N8 O16 S4 -","4","1","","Xiong, Qian; Luo, Qiliang; Zhang, Tinghui; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric multicomponent reactions of isocyanide, isothiocyanate and alkylidene malonates.","Chemical communications (Cambridge, England)","2021","57","59","7288","7291","10.1039/d1cc02939h","","","0.71073","MoKα","","0.0366","0.0308","","","0.0664","0.0678","","","","","","1.066","","","","has coordinates","268585","2021-09-06","09:34:14",""
"7128549","12.9385","0.0003","12.1873","0.0003","12.986","0.0003","90","","101.514","0.0015","90","","2006.5","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl2 F6 N4 Ni P -","- C16 H20 Cl2 F6 N4 Ni P -","- C64 H80 Cl8 F24 N16 Ni4 P4 -","4","1","","Na, Hanah; Watson, Michael B.; Tang, Fengzhi; Rath, Nigam P.; Mirica, Liviu M.","Photoreductive chlorine elimination from a Ni(iii)Cl<sub>2</sub> complex supported by a tetradentate pyridinophane ligand.","Chemical communications (Cambridge, England)","2021","57","59","7264","7267","10.1039/d1cc02114a","","","0.71073","MoKα","","0.0711","0.0451","","","0.1002","0.1129","","","","","","1.021","","","","has coordinates,has disorder","268590","2021-09-06","09:35:28",""
"7128550","19.4628","0.0006","13.3212","0.0004","9.6192","0.0003","90","","90","","90","","2493.95","0.13","100","","100","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C18 H25 Cl4 F6 N4 Ni O P -","- C18 H25 Cl4 F6 N4 Ni O P -","- C72 H100 Cl16 F24 N16 Ni4 O4 P4 -","4","1","","Na, Hanah; Watson, Michael B.; Tang, Fengzhi; Rath, Nigam P.; Mirica, Liviu M.","Photoreductive chlorine elimination from a Ni(iii)Cl<sub>2</sub> complex supported by a tetradentate pyridinophane ligand.","Chemical communications (Cambridge, England)","2021","57","59","7264","7267","10.1039/d1cc02114a","","","0.71073","MoKα","","0.0323","0.0316","","","0.1025","0.104","","","","","","0.969","","","","has coordinates,has disorder","268590","2021-09-06","09:35:31",""
"7128551","20.746","0.003","20.746","0.003","20.746","0.003","90","","90","","90","","8929","2","100","","100","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C123 H151 Cu12 N17 O69 -","- C108 H115.999 Cu12 N12 O63.9996 -","- C216 H231.998 Cu24 N24 O127.999 -","2","0.0416667","","Jackson, Nathan; Vazquez, Irma Rocio; Chen, Ying-Pin; Chen, Yu-Sheng; Gao, Wen-Yang","A porous supramolecular ionic solid.","Chemical communications (Cambridge, England)","2021","57","59","7248","7251","10.1039/d1cc02806e","","","0.41328","synchrotron","","0.0298","0.0291","","","0.0801","0.0813","","","","","","1.065","","","","has coordinates,has disorder","268584","2021-09-06","09:33:56",""
"7128552","14.5609","0.0006","9.3002","0.0004","14.7714","0.0007","90","","94.995","0.004","90","","1992.74","0.15","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O4 -","- C25 H18 O4 -","- C100 H72 O16 -","4","1","","Xi, Jinhu; Wu, Xinjie; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie","A visible-light-induced photocatalyst-free approach for C-3 dicarbonyl coumarin production.","Chemical communications (Cambridge, England)","2021","57","59","7308","7311","10.1039/d1cc02399c","","x-ray","1.54184","CuKα","","0.0667","0.0477","","","0.1199","0.1383","","","","","","1.028","","","","has coordinates","268588","2021-09-06","09:35:03",""
"7128553","7.1288","0.0011","7.3017","0.0009","13.738","0.002","94.814","0.011","90.307","0.013","112.254","0.014","658.96","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H10 O4 -","- C17 H10 O4 -","- C34 H20 O8 -","2","1","","Xi, Jinhu; Wu, Xinjie; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie","A visible-light-induced photocatalyst-free approach for C-3 dicarbonyl coumarin production.","Chemical communications (Cambridge, England)","2021","57","59","7308","7311","10.1039/d1cc02399c","","x-ray","1.54184","CuKα","","0.0994","0.0638","","","0.1804","0.2205","","","","","","1.035","","","","has coordinates","268588","2021-09-06","09:35:08",""
"7128554","19.224","0.002","20.02","0.002","10.0058","0.0012","90","","97.418","0.01","90","","3818.6","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C192 H128 O32 -","8","2","","Xi, Jinhu; Wu, Xinjie; Huang, Mengmeng; Kim, Jung Keun; Zhang, Jianye; Li, Yabo; Wu, Yangjie","A visible-light-induced photocatalyst-free approach for C-3 dicarbonyl coumarin production.","Chemical communications (Cambridge, England)","2021","57","59","7308","7311","10.1039/d1cc02399c","","x-ray","1.54184","CuKα","","0.0895","0.0565","","","0.1447","0.1779","","","","","","1.026","","","","has coordinates","268588","2021-09-06","09:35:10",""
"7128555","8.6807","0.0007","9.5045","0.0007","13.7955","0.001","98.101","0.003","97.742","0.002","103.706","0.003","1077.91","0.14","150","","150","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H19 O P -","- C32 H19 O P -","- C64 H38 O2 P2 -","2","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0414","0.0365","","","0.0938","0.0971","","","","","","1.025","","","","has coordinates","268580","2021-09-06","09:32:27",""
"7128556","9.0391","0.0011","20.028","0.003","14.2025","0.0019","90","","108.406","0.004","90","","2439.6","0.6","150","","150","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Au Cl P -","- C32 H21 Au Cl P -","- C128 H84 Au4 Cl4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0297","0.0266","","","0.0635","0.0651","","","","","","1.093","","","","has coordinates","268580","2021-09-06","09:32:30",""
"7128557","11.5367","0.0012","14.1314","0.0016","15.3922","0.0019","90","","90","","90","","2509.4","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 Cl2 O P -","- C33 H21 Cl2 O P -","- C132 H84 Cl8 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.057","0.0499","","","0.1316","0.1393","","","","","","1.062","","","","has coordinates","268580","2021-09-06","09:32:35",""
"7128558","8.3929","0.0007","15.4894","0.0012","17.31","0.0016","90","","90","","90","","2250.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 O P -","- C32 H21 O P -","- C128 H84 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0847","0.0881","","","","","","1.04","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128559","11.636","0.003","14.154","0.003","15.569","0.003","90","","90","","90","","2564.2","1","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 Cl2 O P -","- C33 H21 Cl2 O P -","- C132 H84 Cl8 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.1225","0.0794","","","0.2281","0.2668","","","","","","1.043","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128560","8.4045","0.0005","15.4654","0.0008","17.2962","0.0011","90","","90","","90","","2248.1","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 O P -","- C32 H21 O P -","- C128 H84 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0513","0.041","","","0.1021","0.1083","","","","","","1.035","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128561","14.699","0.003","15.681","0.003","24.869","0.004","90","","90","","90","","5732.2","1.8","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 Au Cl P -","- C32 H21 Au Cl P -","- C256 H168 Au8 Cl8 P8 -","8","2","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0454","0.0438","","","0.1123","0.1135","","","","","","1.065","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128562","17.235","0.003","5.705","0.0011","18.5","0.004","90","","111.66","0.014","90","","1690.6","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Br2 N2 -","- C19 H14 Br2 N2 -","- C76 H56 Br8 N8 -","4","1","","Fang, Lili; Fan, Shuaixin; Wu, Weiping; Li, Tielei; Zhu, Jin","Ruthenium-catalyzed room-temperature coupling of α-keto sulfoxonium ylides and cyclopropanols for δ-diketone synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7386","7389","10.1039/d1cc02576g","","","1.54178","CuKα","","0.0256","0.0241","","","0.06","0.0612","","","","","","1.059","","","","has coordinates","268578","2021-09-06","09:32:05",""
"7128563","8.7421","0.0002","22.1857","0.0006","11.8409","0.0003","90","","93.675","0.001","90","","2291.82","0.1","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 F6 I N4 O7 S2 -","- C15 H13 F6 I N4 O7 S2 -","- C60 H52 F24 I4 N16 O28 S8 -","4","1","","Boelke, Andreas; Sadat, Soleicha; Lork, Enno; Nachtsheim, Boris J.","Pseudocyclic bis-N-heterocycle-stabilized iodanes - synthesis, characterization and applications.","Chemical communications (Cambridge, England)","2021","57","60","7434","7437","10.1039/d1cc03097c","","x-ray","0.71073","MoKα","","0.0233","0.0185","","","0.0422","0.0439","","","","","","1.054","","","","has coordinates","268576","2021-09-06","09:31:44",""
"7128564","16.7429","0.0001","10.5512","0.0001","14.6971","0.0001","90","","93.247","0.001","90","","2592.19","0.03","99.97","0.11","99.97","0.11","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","1","","Zhang, Jingran; Jalil, Ayesha; He, Jiaxin; Yu, Zhenyang; Cheng, Yifu; Li, Guangchen; Du, Yunfei; Zhao, Kang","Lactonization with concomitant 1,2-aryl migration and alkoxylation mediated by dialkoxyphenyl iodides generated <i>in situ</i>.","Chemical communications (Cambridge, England)","2021","57","60","7426","7429","10.1039/d1cc03110d","","x-ray","1.54184","CuKα","","0.035","0.0341","","","0.0848","0.0855","","","","","","1.088","","","","has coordinates","268579","2021-09-06","09:32:11",""
"7128565","8.7527","0.0002","21.114","0.0004","21.2756","0.0004","105.531","0.001","100.815","0.001","97.69","0.001","3649.92","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.5 H33 B Cl F9 N2 O5 -","- C37.5 H33 B Cl F9 N2 O5 -","- C150 H132 B4 Cl4 F36 N8 O20 -","4","2","","Li, Jun; Daniliuc, Constantin G.; Matern, Jonas; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Multi-component synthesis of dihydro-1,3-azaborinine derived oxindole isosteres.","Chemical communications (Cambridge, England)","2021","57","62","7689","7692","10.1039/d1cc02557k","","","1.54178","CuKα","","0.0462","0.0345","","","0.0786","0.084","","","","","","1.031","","","","has coordinates","268555","2021-09-06","09:16:37",""
"7128566","13.6617","0.0003","14.004","0.0003","18.5575","0.0004","70.233","0.001","87.771","0.001","83.541","0.001","3319.98","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 B F9 N2 O3 -","- C35 H28 B F9 N2 O3 -","- C140 H112 B4 F36 N8 O12 -","4","2","","Li, Jun; Daniliuc, Constantin G.; Matern, Jonas; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Multi-component synthesis of dihydro-1,3-azaborinine derived oxindole isosteres.","Chemical communications (Cambridge, England)","2021","57","62","7689","7692","10.1039/d1cc02557k","","","1.54178","CuKα","","0.078","0.0527","","","0.1321","0.1482","","","","","","1.02","","","","has coordinates,has disorder","268555","2021-09-06","09:16:38",""
"7128567","15.163","0.0003","26.207","0.0005","15.9881","0.0003","90","","101.068","0.001","90","","6235.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 B F9 N2 O3 S2 -","- C31 H24 B F9 N2 O3 S2 -","- C248 H192 B8 F72 N16 O24 S16 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Matern, Jonas; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard","Multi-component synthesis of dihydro-1,3-azaborinine derived oxindole isosteres.","Chemical communications (Cambridge, England)","2021","57","62","7689","7692","10.1039/d1cc02557k","","","1.54178","CuKα","","0.0587","0.0413","","","0.1004","0.1103","","","","","","1.012","","","","has coordinates,has disorder","268555","2021-09-06","09:16:38",""
"7128568","9.3498","0.0004","7.3678","0.0003","27.1186","0.001","90","","98.469","0.004","90","","1847.76","0.13","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H29 N Si -","- C21 H29 N Si -","- C84 H116 N4 Si4 -","4","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0679","0.0581","","","0.1456","0.1522","","","","","","1.052","","","","has coordinates,has disorder","268587","2021-09-06","09:34:44",""
"7128569","9.9907","0.0004","6.748","0.0003","14.9843","0.0006","90","","95.086","0.004","90","","1006.22","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H7 N Se2 -","- C12 H7 N Se2 -","- C48 H28 N4 Se8 -","4","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0236","0.0215","","","0.055","0.0561","","","","","","1.12","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128570","8.2725","0.0004","19.9141","0.0009","13.8083","0.0007","90","","101.265","0.005","90","","2230.95","0.19","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 F4 N Si -","- C27 H27 F4 N Si -","- C108 H108 F16 N4 Si4 -","4","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0451","0.0377","","","0.0961","0.1036","","","","","","1.04","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128571","19.2612","0.0006","19.2612","0.0006","9.9892","0.0005","90","","90","","120","","3209.4","0.2","100","0.1","100","0.1","","","","","","","","5","P 61","P 61","169","","","","- C23 H33 N O2 Si -","- C23 H33 N O2 Si -","- C138 H198 N6 O12 Si6 -","6","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0684","0.0611","","","0.1663","0.1764","","","","","","1.055","","","","has coordinates,has disorder","268587","2021-09-06","09:34:44",""
"7128572","13.126","0.0005","15.4832","0.0004","12.3174","0.0005","90","","117.891","0.005","90","","2212.51","0.17","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 N Si2 -","- C23 H33 N Si2 -","- C92 H132 N4 Si8 -","4","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0417","0.0361","","","0.0962","0.1018","","","","","","1.043","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128573","3.8267","0.0002","14.2898","0.0006","17.5522","0.0007","90","","90","","90","","959.8","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C48 H28 Cl8 N4 -","4","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0298","0.027","","","0.0664","0.0683","","","","","","1.073","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128574","9.0996","0.0003","14.8381","0.0005","29.5722","0.0008","90","","90","","90","","3992.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H31 N O Si -","- C23 H31 N O Si -","- C184 H248 N8 O8 Si8 -","8","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.047","0.0409","","","0.1093","0.1159","","","","","","1.036","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128575","9.3372","0.0006","10.5025","0.0006","10.6156","0.0006","92.683","0.004","108.926","0.005","91.966","0.005","982.3","0.11","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 N S2 -","- C12 H7 N S2 -","- C48 H28 N4 S8 -","4","2","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0335","0.0292","","","0.0741","0.0776","","","","","","1.047","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128576","9.941","0.005","34.115","0.013","10.622","0.004","90","","106.275","0.014","90","","3458","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DIC","DIC","","- C36 H63 Al N2 -","- C36 H63 Al N2 -","- C144 H252 Al4 N8 -","4","1","","Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger","Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.","Chemical communications (Cambridge, England)","2021","57","61","7505","7508","10.1039/d1cc02993b","","","0.71073","MoKα","","0.0728","0.0599","","","0.1404","0.1457","","","","","","1.166","","","","has coordinates","268497","2021-09-06","08:53:44",""
"7128577","9.255","0.003","13.353","0.003","17.129","0.005","83.886","0.006","83.022","0.011","71.208","0.007","1984","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Iminoborane","Iminoborane","","- C42 H69 Al B N -","- C42 H69 Al B N -","- C84 H138 Al2 B2 N2 -","2","1","","Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger","Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.","Chemical communications (Cambridge, England)","2021","57","61","7505","7508","10.1039/d1cc02993b","","","0.71073","MoKα","","0.0579","0.0455","","","0.1097","0.1185","","","","","","1.021","","","","has coordinates","268497","2021-09-06","08:53:48",""
"7128578","10.3237","0.0016","10.969","0.002","13.631","0.002","69.689","0.008","83.282","0.007","74.821","0.006","1396.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Dimer Sauerstoff insertion","Dimer Sauerstoff insertion","","- C58 H98 Al2 O4 -","- C58 H98 Al2 O4 -","- C58 H98 Al2 O4 -","1","0.5","","Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger","Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.","Chemical communications (Cambridge, England)","2021","57","61","7505","7508","10.1039/d1cc02993b","","","0.71073","MoKα","","0.1034","0.0783","","","0.153","0.1631","","","","","","1.137","","","","has coordinates","268497","2021-09-06","08:53:57",""
"7128579","20.5142","0.0011","11.6374","0.0005","14.3998","0.0007","90","","93.907","0.002","90","","3429.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Morpholine Addukt","Morpholine Addukt","","- C34 H60 Al N O3 -","- C34 H60 Al N O3 -","- C136 H240 Al4 N4 O12 -","4","1","","Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger","Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.","Chemical communications (Cambridge, England)","2021","57","61","7505","7508","10.1039/d1cc02993b","","","0.71073","MoKα","","0.0769","0.063","","","0.1451","0.1539","","","","","","1.062","","","","has coordinates,has disorder","268497","2021-09-06","08:54:00",""
"7128580","10.154","0.004","35.675","0.014","10.784","0.004","90","","111.84","0.009","90","","3626","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nitrone","Nitrone","","- C42 H60 Al N O -","- C42 H60 Al N O -","- C168 H240 Al4 N4 O4 -","4","1","","Drescher, Regina; Ritschel, Benedikt; Dewhurst, Rian D.; Deißenberger, Andrea; Hofmann, Alexander; Braunschweig, Holger","Synthesis of novel six-, seven- and eight-membered aluminum-containing rings by alumole ring expansion.","Chemical communications (Cambridge, England)","2021","57","61","7505","7508","10.1039/d1cc02993b","","","0.71073","MoKα","","0.0814","0.0505","","","0.1079","0.1204","","","","","","1.05","","","","has coordinates","268497","2021-09-06","08:54:09",""
"7128581","8.982","0.005","13.786","0.005","13.975","0.003","112.81","0.03","107.33","0.03","96.28","0.03","1472.2","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C76 H52 F8 N4 O4 -","4","2","","Hu, Xiao; Ding, Aishun; Xu, Dawen; Guo, Hao","Visible light-induced one-pot synthesis of CF<sub>3</sub>/CF<sub>2</sub>-substituted cyclobutene derivatives.","Chemical communications (Cambridge, England)","2021","57","60","7441","7444","10.1039/d1cc02696h","","","1.34138","GaKα","","0.0541","0.0447","","","0.1168","0.125","","","","","","1.06","","","","has coordinates,has disorder","268574","2021-09-06","09:31:22",""
"7128582","25.323","0.002","5.9171","0.0004","25.206","0.002","90","","114.569","0.002","90","","3434.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Br F3 N O -","- C19 H15 Br F3 N O -","- C152 H120 Br8 F24 N8 O8 -","8","1","","Hu, Xiao; Ding, Aishun; Xu, Dawen; Guo, Hao","Visible light-induced one-pot synthesis of CF<sub>3</sub>/CF<sub>2</sub>-substituted cyclobutene derivatives.","Chemical communications (Cambridge, England)","2021","57","60","7441","7444","10.1039/d1cc02696h","","","0.71073","MoKα","","0.095","0.0567","","","0.1066","0.1251","","","","","","1.038","","","","has coordinates","268574","2021-09-06","09:31:22",""
"7128583","9.0542","0.0007","10.087","0.0008","16.9352","0.0014","90","","93.412","0.003","90","","1543.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N O -","- C19 H14 F3 N O -","- C76 H56 F12 N4 O4 -","4","1","","Hu, Xiao; Ding, Aishun; Xu, Dawen; Guo, Hao","Visible light-induced one-pot synthesis of CF<sub>3</sub>/CF<sub>2</sub>-substituted cyclobutene derivatives.","Chemical communications (Cambridge, England)","2021","57","60","7441","7444","10.1039/d1cc02696h","","","1.34138","GaKα","","0.0511","0.0457","","","0.1219","0.1276","","","","","","1.024","","","","has coordinates","268574","2021-09-06","09:31:22",""
"7128584","7.6661","0.0019","13.863","0.003","19.578","0.005","90","","90","","90","","2080.7","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O S -","- C26 H24 O S -","- C104 H96 O4 S4 -","4","1","","Wang, Yuna; Qi, Zaojuan; Niu, Yanning; Feng, Hua; Benassi, Enrico; Qian, Bo","Selective oxidative intermolecular carbosulphenylation of aryl alkenes with thiols and nucleophiles <i>via</i> a 1,2-dithioethane intermediate.","Chemical communications (Cambridge, England)","2021","57","61","7533","7536","10.1039/d1cc02517a","","","0.71073","MoKα","","0.0802","0.0442","","","0.0998","0.1155","","","","","","1","","","","has coordinates","268614","2021-09-06","09:49:04",""
"7128585","11.4056","0.0002","22.818","0.0004","25.3841","0.0005","90","","90","","90","","6606.3","0.2","99.98","0.1","99.98","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H25 Cl2 Fe N4 O2 -","- C30 H25 Cl2 Fe N4 O2 -","- C240 H200 Cl16 Fe8 N32 O16 -","8","1","","Margonis, Caroline M.; Ho, Marissa; Travis, Benjamin D.; Brennessel, William W.; McNamara, William R.","Iron polypyridyl complex adsorbed on carbon surfaces for hydrogen generation.","Chemical communications (Cambridge, England)","2021","57","62","7697","7700","10.1039/d1cc02131a","","x-ray","1.54184","CuKα","","0.0724","0.0556","","","0.1556","0.1695","","","","","","1.049","","","","has coordinates,has disorder","268556","2021-09-06","09:16:49",""
"7128586","9.1579","0.0003","12.3208","0.0005","16.9209","0.0006","68.777","0.001","88.042","0.001","74.787","0.001","1713.44","0.11","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl N5 O4 S2 -","- C36 H34 Cl N5 O4 S2 -","- C72 H68 Cl2 N10 O8 S4 -","2","1","","Chen, Li; Huang, Rong; Yun, Xing-Han; Hao, Tian-Hui; Yan, Sheng-Jiao","Multi-component cascade reaction of 3-formylchromones: highly selective synthesis of 4,5-dihydro-[4,5'-bipyrimidin]-6(1H)-one derivatives.","Chemical communications (Cambridge, England)","2021","57","62","7657","7660","10.1039/d1cc02437j","","","1.54178","CuKα","","0.0685","0.0677","","","0.1935","0.1949","","","","","","1.053","","","","has coordinates","268495","2021-09-06","08:52:37",""
"7128587","11.2453","0.0013","11.7271","0.0013","12.9429","0.0016","92.075","0.002","114.267","0.002","104.496","0.002","1487.7","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 F N5 O2.5 -","- C27 H30 F N5 O2.5 -","- C54 H60 F2 N10 O5 -","2","1","","Chen, Li; Huang, Rong; Yun, Xing-Han; Hao, Tian-Hui; Yan, Sheng-Jiao","Multi-component cascade reaction of 3-formylchromones: highly selective synthesis of 4,5-dihydro-[4,5'-bipyrimidin]-6(1H)-one derivatives.","Chemical communications (Cambridge, England)","2021","57","62","7657","7660","10.1039/d1cc02437j","","","0.71073","MoKα","","0.1587","0.0884","","","0.2421","0.3077","","","","","","1.014","","","","has coordinates,has disorder","268495","2021-09-06","08:52:40",""
"7128588","13.5619","0.0004","16.3532","0.0004","39.3827","0.0009","90","","90","","90","","8734.3","0.4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H59 Cl2 Fe N9 O8 -","- C34.0003 H59.0009 Cl2 Fe N9.0003 O8 -","- C272.002 H472.007 Cl16 Fe8 N72.0024 O64 -","8","1","","Song, Seungjin; Lee, Junseong; Choi, Jun-Ho; Seo, Junhyeok","Electrochemical behaviors of a pincer-type NNN-Fe complex and catalytic H<sub>2</sub> evolution activity.","Chemical communications (Cambridge, England)","2021","57","61","7497","7500","10.1039/d1cc03050g","","","0.71073","MoKα","","0.1158","0.057","","","0.1251","0.1541","","","","","","1.005","","","","has coordinates,has disorder","268498","2021-09-06","08:56:08",""
"7128589","10.1604","0.0008","10.197","0.001","11.8624","0.0013","90","","90","","90","","1229","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-bromophenyl)sulfonyl)-3-fluoropyrrolidine","","- C10 H11 Br F N O2 S -","- C10 H11 Br F N O2 S -","- C40 H44 Br4 F4 N4 O8 S4 -","4","1","","Wang, Xiu; Zhou, Min; Liu, Qinghe; Ni, Chuanfa; Fei, Zhongbo; Li, Wei; Hu, Jinbo","Deoxyfluorination of alcohols with aryl fluorosulfonates.","Chemical communications (Cambridge, England)","2021","57","66","8170","8173","10.1039/d1cc02617h","","","0.71073","MoKα","","0.0654","0.0439","","","0.1073","0.1181","","","","","","1.05","","","","has coordinates","268549","2021-09-06","09:13:43",""
"7128590","6.4512","0.0001","8.5325","0.0002","8.7429","0.0002","91.537","0.002","93.551","0.002","91.604","0.002","479.943","0.017","293","","293","","","","","","","","","4","P 1","P 1","1","","(S,E)-methyl 5-(5-((E)-(2,2-dimethylhydrazono)methyl)-1-methyl-1H-pyrrol-2-yl)-5-phenylpent-2-enoate","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","1","1","","Łukasik, Beata; Kowalska, Justyna; Frankowski, Sebastian; Albrecht, Łukasz","Vinylogous hydrazone strategy for the organocatalytic alkylation of heteroaromatic derivatives.","Chemical communications (Cambridge, England)","2021","57","51","6312","6315","10.1039/d1cc01923f","","x-ray","1.54184","CuKα","","0.035","0.0348","","","0.0924","0.0926","","","","","","1.045","","","","has coordinates","266977","2021-07-04","09:32:57",""
"7128591","23.5338","0.0009","17.3277","0.0006","26.3271","0.0009","90","","111.647","0.004","90","","9978.7","0.7","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H112 N8 Pd7 Si4 -","- C88 H81 N8 Pd7 Si4 -","- C352 H324 N32 Pd28 Si16 -","4","1","","Shimamoto, Kento; Sunada, Yusuke","Nuclearity expansion in Pd clusters triggered by the migration of a phenyl group in cyclooligosilanes.","Chemical communications (Cambridge, England)","2021","57","62","7649","7652","10.1039/d1cc02682h","","","0.71075","MoKα","","0.1753","0.0662","","","0.1119","0.1451","","","","","","0.951","","","","has coordinates","268500","2021-09-06","08:58:43",""
"7128592","13.6595","0.0003","16.1139","0.0003","20.716","0.0003","84.585","0.0015","80.483","0.0015","79.772","0.0018","4415.59","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C85 H95 N5 O Pd5 Si5 -","- C88.2 H68 N5 O0.8 Pd5 Si5 -","- C176.4 H136 N10 O1.6 Pd10 Si10 -","2","1","","Shimamoto, Kento; Sunada, Yusuke","Nuclearity expansion in Pd clusters triggered by the migration of a phenyl group in cyclooligosilanes.","Chemical communications (Cambridge, England)","2021","57","62","7649","7652","10.1039/d1cc02682h","","","0.71075","MoKα","","0.0482","0.0359","","","0.0905","0.0979","","","","","","0.968","","","","has coordinates","268500","2021-09-06","08:58:44",""
"7128593","16.2926","0.0006","26.0709","0.001","40.5668","0.0015","90","","97.103","0.003","90","","17099","1.1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H94 N8 Pd6 Si4 -","- C83 H58 N7 Pd6 Si4 -","- C664 H464 N56 Pd48 Si32 -","8","1","","Shimamoto, Kento; Sunada, Yusuke","Nuclearity expansion in Pd clusters triggered by the migration of a phenyl group in cyclooligosilanes.","Chemical communications (Cambridge, England)","2021","57","62","7649","7652","10.1039/d1cc02682h","","","0.71075","MoKα","","0.2807","0.0876","","","0.1529","0.217","","","","","","0.962","","","","has coordinates","268500","2021-09-06","08:58:44",""
"7128594","14.0947","0.0002","16.6487","0.0003","23.8355","0.0003","88.208","0.0013","81.288","0.0013","81.87","0.0013","5472.83","0.15","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C95 H113 N7 Pd7 Si5 -","- C98.5 H104 N7 Pd7 Si5 -","- C197 H208 N14 Pd14 Si10 -","2","1","","Shimamoto, Kento; Sunada, Yusuke","Nuclearity expansion in Pd clusters triggered by the migration of a phenyl group in cyclooligosilanes.","Chemical communications (Cambridge, England)","2021","57","62","7649","7652","10.1039/d1cc02682h","","","0.71075","MoKα","","0.062","0.0365","","","0.0856","0.0954","","","","","","0.983","","","","has coordinates","268500","2021-09-06","08:58:44",""
"7128595","18.644","0.004","9.1535","0.0018","20.027","0.004","90","","90","","90","","3417.8","1.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 F N2 O2 S -","- C18 H19 F N2 O2 S -","- C144 H152 F8 N16 O16 S8 -","8","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0859","0.0511","","","0.1005","0.1105","","","","","","0.958","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128596","8.315","0.003","11.835","0.005","16.239","0.006","90","","90","","90","","1598","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 F N2 O2 S -","- C15 H21 F N2 O2 S -","- C60 H84 F4 N8 O8 S4 -","4","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0607","0.0497","","","0.1054","0.1101","","","","","","1.072","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128597","20.185","0.003","20.185","0.003","21.625","0.005","90","","90","","120","","7630","2","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16 H17 F N2 O2 S2 -","- C16 H17 F N2 O2 S2 -","- C288 H306 F18 N36 O36 S36 -","18","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0934","0.0546","","","0.1106","0.1225","","","","","","0.974","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128598","9.348","0.005","8.856","0.005","25.174","0.013","90","","90","","90","","2084.1","1.9","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F N O -","- C12 H14 F N O -","- C96 H112 F8 N8 O8 -","8","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0782","0.0594","","","0.1462","0.1565","","","","","","0.99","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128599","11.028","0.003","9.215","0.003","17.393","0.005","90","","98.322","0.005","90","","1748.9","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl F N2 O2 S -","- C18 H18 Cl F N2 O2 S -","- C72 H72 Cl4 F4 N8 O8 S4 -","4","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0515","0.0433","","","0.104","0.1081","","","","","","1.038","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128600","9.503","0.006","9.161","0.006","24.001","0.015","90","","90","","90","","2089","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Cl F N O -","- C11 H11 Cl F N O -","- C88 H88 Cl8 F8 N8 O8 -","8","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.1401","0.0865","","","0.1974","0.2267","","","","","","1.037","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128601","10.7515","0.0007","29.6409","0.0019","25.592","0.0017","90","","99.774","0.001","90","","8037.4","0.9","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(CpAr)La(CH2-C6H4-Me)2(THF)]","","","- C85 H111 La O -","- C85 H111 La O -","- C340 H444 La4 O4 -","4","1","","Wang, Yang; Del Rosal, Iker; Qin, Guorui; Zhao, Lanxiao; Maron, Laurent; Shi, Xianghui; Cheng, Jianhua","Scandium and lanthanum hydride complexes stabilized by super-bulky penta-arylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","63","7766","7769","10.1039/d1cc01841h","","","0.71073","MoKα","","0.0557","0.0432","","","0.1079","0.1156","","","","","","1.041","","","","has coordinates,has disorder","268523","2021-09-06","09:08:04",""
"7128602","16.5086","0.0013","26.3426","0.0019","15.7814","0.0012","90","","114.871","0.001","90","","6226.5","0.8","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(CpAr)Sc(H)(OBu)]2","","","- C69 H95 O Sc -","- C69 H95 O Sc -","- C276 H380 O4 Sc4 -","4","1","","Wang, Yang; Del Rosal, Iker; Qin, Guorui; Zhao, Lanxiao; Maron, Laurent; Shi, Xianghui; Cheng, Jianhua","Scandium and lanthanum hydride complexes stabilized by super-bulky penta-arylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","63","7766","7769","10.1039/d1cc01841h","","","0.71073","MoKα","","0.1375","0.0827","","","0.2029","0.2406","","","","","","1.023","","","","has coordinates,has disorder","268523","2021-09-06","09:08:07",""
"7128603","20.0516","0.0005","19.8615","0.0005","31.0309","0.0008","90","","93.752","0.001","90","","12331.7","0.5","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","[(CpAr)LaH]2","","","- C130 H172 La2 -","- C130 H172 La2 -","- C520 H688 La8 -","4","1","","Wang, Yang; Del Rosal, Iker; Qin, Guorui; Zhao, Lanxiao; Maron, Laurent; Shi, Xianghui; Cheng, Jianhua","Scandium and lanthanum hydride complexes stabilized by super-bulky penta-arylcyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2021","57","63","7766","7769","10.1039/d1cc01841h","","","0.71073","MoKα","","0.0716","0.0501","","","0.1312","0.1463","","","","","","1.038","","","","has coordinates,has disorder","268523","2021-09-06","09:08:09",""
"7128604","7.5982","0.0015","26.508","0.005","16.115","0.003","90","","99.22","0.03","90","","3203.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0631","0.0405","","","0.0936","0.104","","","","","","1.02","","","","has coordinates,has disorder","268554","2021-09-06","09:16:15",""
"7128605","7.58","0.003","25.608","0.011","16.702","0.007","90","","97.963","0.01","90","","3211","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CoCP_LTphase","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0895","0.053","","","0.1333","0.1467","","","","","","1.033","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128606","7.7","0.004","25.487","0.013","17.427","0.008","90","","99.184","0.015","90","","3376","3","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ZnCP_HTphase","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C96 H64 N8 O16 Zn4 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0838","0.0514","","","0.1455","0.1662","","","","","","1.01","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128607","7.5011","0.0003","25.9846","0.001","16.5982","0.0007","90","","98.153","0.001","90","","3202.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CdNiCP_LTphase","","","- C24 H16 Cd0.17 N2 Ni0.83 O4 -","- C24 H16 Cd0.17 N2 Ni0.83 O4 -","- C96 H64 Cd0.68 N8 Ni3.32 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0709","0.0628","","","0.15","0.1537","","","","","","1.12","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128608","7.635","0.0009","22.768","0.003","19.177","0.002","90","","94.897","0.002","90","","3321.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdCP_LTphase","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0595","0.0469","","","0.1046","0.1106","","","","","","1.117","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128609","7.6038","0.0004","26.5229","0.0015","16.1227","0.001","90","","99.049","0.002","90","","3211.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZnCdCP_LTphase","","","- C24 H16 Cd0.08 N2 O4 Zn0.92 -","- C24 H16 Cd0.08 N2 O4 Zn0.92 -","- C96 H64 Cd0.32 N8 O16 Zn3.68 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0498","0.0397","","","0.118","0.1238","","","","","","1.09","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128610","7.5873","0.0002","26.0253","0.0009","16.9377","0.0006","90","","99.261","0.001","90","","3300.95","0.19","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NiCP_HTphase","","","- C24 H16 N2 Ni O4 -","- C24 H16 N2 Ni O4 -","- C96 H64 N8 Ni4 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0511","0.0358","","","0.1004","0.1075","","","","","","1.04","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128611","7.716","0.002","25.819","0.006","17.144","0.004","90","","99.26","0.008","90","","3370.9","1.4","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZnCoCP_HTphase","","","- C24 H16 Co0.08 N2 O4 Zn0.92 -","- C24 H16 Co0.08 N2 O4 Zn0.92 -","- C96 H64 Co0.32 N8 O16 Zn3.68 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0993","0.0627","","","0.1936","0.2365","","","","","","1.05","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128612","7.6004","0.0002","26.5194","0.0008","16.0294","0.0005","90","","99.211","0.001","90","","3189.19","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZnCoCP_LTphase","","","- C24 H16 Co0.08 N2 O4 Zn0.92 -","- C24 H16 Co0.08 N2 O4 Zn0.92 -","- C96 H64 Co0.32 N8 O16 Zn3.68 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0523","0.0415","","","0.1238","0.1311","","","","","","1.055","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128613","7.672","0.005","25.683","0.018","17.291","0.013","90","","98.63","0.02","90","","3368","4","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CoCP_HTphase","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.1014","0.0693","","","0.1754","0.1922","","","","","","1.013","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128614","7.6961","0.0015","28.012","0.006","14.695","0.003","90","","99.713","0.004","90","","3122.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NiCP_LTphase","","","- C24 H16 N2 Ni O4 -","- C24 H16 N2 Ni O4 -","- C96 H64 N8 Ni4 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.1075","0.085","","","0.1952","0.2043","","","","","","1.129","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128615","7.6318","0.0015","26.288","0.006","16.739","0.004","90","","98.895","0.007","90","","3317.9","1.3","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CdNiCP_HTphase","","","- C24 H16 Cd0.17 N2 Ni0.83 O4 -","- C24 H16 Cd0.17 N2 Ni0.83 O4 -","- C96 H64 Cd0.68 N8 Ni3.32 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0991","0.0694","","","0.1862","0.2036","","","","","","1.038","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128616","7.6964","0.0005","25.4608","0.0019","17.4291","0.0013","90","","99.016","0.002","90","","3373.1","0.4","270","2","270","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZnCdCP_HTphase","","","- C24 H16 Cd0.08 N2 O4 Zn0.92 -","- C24 H16 Cd0.08 N2 O4 Zn0.92 -","- C96 H64 Cd0.32 N8 O16 Zn3.68 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0617","0.0461","","","0.1314","0.1423","","","","","","1.032","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128617","7.751","0.0004","23.7727","0.0016","19.0443","0.0012","90","","96.398","0.002","90","","3487.3","0.4","270","2","270","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CdCP_HTphase","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4 -","- C96 H64 Cd4 N8 O16 -","4","1","","van Wyk, Lisa M.; Loots, Leigh; Barbour, Leonard J.","Tuning extreme anisotropic thermal expansion in 1D coordination polymers through metal selection and solid solutions.","Chemical communications (Cambridge, England)","2021","57","62","7693","7696","10.1039/d1cc01717a","","","0.71073","MoKα","","0.0728","0.041","","","0.0991","0.1161","","","","","","1.016","","","","has coordinates,has disorder","268554","2021-09-06","09:16:16",""
"7128618","16.2776","0.0007","16.2776","0.0007","17.752","0.0009","90","","90","","90","","4703.6","0.4","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- H48 N12 O78 Sb8 V30 -","- H32 N12 O78 Sb8 V30 -","- H64 N24 O156 Sb16 V60 -","2","0.125","","Lühmann, Henning; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Bensch, Wolfgang","Three intersecting {V<sub>12</sub>} rings: {V<sub>30</sub>Sb<sub>8</sub>}, an ultra-large polyoxovanadate cluster shell.","Chemical communications (Cambridge, England)","2021","57","62","7661","7664","10.1039/d1cc03028k","","","0.71073","MoKα","","0.0618","0.0415","","","0.0991","0.1072","","","","","","1.034","","","","has coordinates","268553","2021-09-06","09:15:21",""
"7128619","24.7464","0.0009","8.0186","0.0003","23.0495","0.0009","90","","104.533","0.0019","90","","4427.4","0.3","130","0.5","130","0.5","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 N4 O3 -","- C28 H24 N4 O3 -","- C224 H192 N32 O24 -","8","2","","Vygranenko, Kateryna V.; Poronik, Yevgen M.; Wrzosek, Antoni; Szewczyk, Adam; Gryko, Daniel T.","Red emissive sulfone-rhodols as mitochondrial imaging agents.","Chemical communications (Cambridge, England)","2021","57","63","7782","7785","10.1039/d1cc02687a","","","1.54178","CuKα","","0.1245","0.0977","","","0.2932","0.3189","","","","","","1.214","","","","has coordinates,has disorder","268524","2021-09-06","09:08:22",""
"7128620","23.6852","0.0007","10.0753","0.0003","21.4888","0.0005","90","","123.376","0.001","90","","4282.3","0.2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O5 S2 -","- C24 H19 N O5 S2 -","- C192 H152 N8 O40 S16 -","8","1","","Cheng, Bin; Li, Hui; Zhu, Xuecheng; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Wang, Taimin; Zhai, Hongbin","Diversity-oriented synthesis of benzofuro[3,2-b]pyridine derivatives from aurone-derived α,β-unsaturated imines and activated terminal alkynes.","Chemical communications (Cambridge, England)","2021","57","62","7701","7704","10.1039/d1cc02477a","","","0.71073","MoKα","","0.0659","0.0459","","","0.1055","0.1188","","","","","","1.045","","","","has coordinates","268499","2021-09-06","08:57:42",""
"7128621","11.3915","0.0005","11.6757","0.0004","12.0576","0.0005","70.795","0.002","64.171","0.001","74.407","0.002","1348.22","0.1","270","","270","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O7 S -","- C30 H25 N O7 S -","- C60 H50 N2 O14 S2 -","2","1","","Cheng, Bin; Li, Hui; Zhu, Xuecheng; Zhang, Xinping; He, Yixuan; Sun, Haiyan; Wang, Taimin; Zhai, Hongbin","Diversity-oriented synthesis of benzofuro[3,2-b]pyridine derivatives from aurone-derived α,β-unsaturated imines and activated terminal alkynes.","Chemical communications (Cambridge, England)","2021","57","62","7701","7704","10.1039/d1cc02477a","","","0.71073","MoKα","","0.0584","0.0456","","","0.1117","0.1242","","","","","","1.039","","","","has coordinates","268499","2021-09-06","08:57:42",""
"7128622","16.1033","0.0009","8.4274","0.0005","34.064","0.003","90","","90","","90","","4622.8","0.6","150","0.1","150","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C52 H42 N2 O6 -","- C52 H42 N2 O6 -","- C208 H168 N8 O24 -","4","1","","Yang, Xin; Yan, Yongkun; Zeng, Weixuan; Song, Ying; Li, Wenhao; Zhao, Lingli; Zhao, Yan; Chen, Huajie; Liu, Yunqi","Bis-acenaphthoquinone diimides with high electron deficiency and good coplanar conformation.","Chemical communications (Cambridge, England)","2021","57","63","7822","7825","10.1039/d1cc02693c","","x-ray","1.54184","CuKα","","0.0986","0.0859","","","0.2261","0.2443","","","","","","1.03","","","","has coordinates,has disorder","268522","2021-09-06","09:07:37",""
"7128623","9.827","0.0009","12.6308","0.001","19.5062","0.0018","90","","100.309","0.003","90","","2382.1","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Dy N4 O6 -","- C20 H27 Dy N4 O6 -","- C80 H108 Dy4 N16 O24 -","4","1","","Kitos, Alexandros A.; Gálico, Diogo A; Mavragani, Niki; Castañeda, Raúl; Moilanen, Jani O.; Brusso, Jaclyn L.; Murugesu, Muralee","Probing optical and magnetic properties <i>via</i> subtle stereoelectronic effects in mononuclear Dy<sup>III</sup>-complexes.","Chemical communications (Cambridge, England)","2021","57","63","7818","7821","10.1039/d1cc02407h","","","0.71073","MoKα","","0.0436","0.03","","","0.0633","0.0697","","","","","","1.044","","","","has coordinates","268521","2021-09-06","09:07:23",""
"7128624","7.6486","0.0003","6.0185","0.0002","15.9086","0.0006","90","","103.605","0.001","90","","711.77","0.05","125","2","125","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C32 H30 N6 O6 -","2","1","","Zhao, Yunbo; Mandal, Dipendu; Guo, Jing; Wu, Yile; Stephan, Douglas W.","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Catalyzed site-selective <i>N</i><sup>1</sup>-alkylation of benzotriazoles with diazoalkanes.","Chemical communications (Cambridge, England)","2021","57","63","7758","7761","10.1039/d1cc03048e","","","1.54178","CuKα","","0.0391","0.0384","","","0.1014","0.1022","","","","","","1.069","","","","has coordinates","268526","2021-09-06","09:08:35",""
"7128625","8.3197","0.0006","10.9741","0.0008","13.6352","0.001","78.261","0.003","82.173","0.003","68.054","0.003","1128.07","0.14","161","","161","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H5 B F15 N3 -","- C24 H5 B F15 N3 -","- C48 H10 B2 F30 N6 -","2","1","","Zhao, Yunbo; Mandal, Dipendu; Guo, Jing; Wu, Yile; Stephan, Douglas W.","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Catalyzed site-selective <i>N</i><sup>1</sup>-alkylation of benzotriazoles with diazoalkanes.","Chemical communications (Cambridge, England)","2021","57","63","7758","7761","10.1039/d1cc03048e","","","1.54178","CuKα","","0.0477","0.0367","","","0.1","0.1058","","","","","","1.059","","","","has coordinates","268526","2021-09-06","09:08:35",""
"7128626","8.9001","0.0006","13.1997","0.0009","13.3554","0.0009","99.4474","0.0009","97.4134","0.001","105.281","0.0009","1468.3","0.17","200","2","200","2","","","","","","","","7","P -1","-P 1","2","co-crystal 2","","","- C30 H14 F6 I3 N O P -","- C30 H14 F6 I3 N O P -","- C60 H28 F12 I6 N2 O2 P2 -","2","1","","Romero-Nieto, Carlos; de Cózar, A; Regulska, Elzbieta; Mullenix, John B.; Rominger, Frank; Hindenberg, Philip","Controlling the molecular arrangement of racemates through weak interactions: the synergy between π-interactions and halogen bonds.","Chemical communications (Cambridge, England)","2021","57","60","7366","7369","10.1039/d1cc01700d","","","0.71073","MoKα","","0.0314","0.0231","","","0.0482","0.0514","","","","","","1.017","","","","has coordinates","268575","2021-09-06","09:31:37",""
"7128627","7.4617","0.0007","9.0098","0.0008","23.284","0.002","90","","90","","90","","1565.3","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound1","","","- C21 H14 N O P -","- C21 H14 N O P -","- C84 H56 N4 O4 P4 -","4","1","","Romero-Nieto, Carlos; de Cózar, A; Regulska, Elzbieta; Mullenix, John B.; Rominger, Frank; Hindenberg, Philip","Controlling the molecular arrangement of racemates through weak interactions: the synergy between π-interactions and halogen bonds.","Chemical communications (Cambridge, England)","2021","57","60","7366","7369","10.1039/d1cc01700d","","","0.71073","MoKα","","0.1325","0.0714","","","0.1245","0.1458","","","","","","1","","","","has coordinates","268575","2021-09-06","09:31:38",""
"7128628","10.217","0.0004","10.7286","0.0004","13.1032","0.0005","85.5466","0.0009","72.5399","0.0009","64.1678","0.0008","1230.85","0.08","200","2","200","2","","","","","","","","7","P -1","-P 1","2","co-crystal 1","","","- C27 H14 F4 I2 N O P -","- C27 H14 F4 I2 N O P -","- C54 H28 F8 I4 N2 O2 P2 -","2","1","","Romero-Nieto, Carlos; de Cózar, A; Regulska, Elzbieta; Mullenix, John B.; Rominger, Frank; Hindenberg, Philip","Controlling the molecular arrangement of racemates through weak interactions: the synergy between π-interactions and halogen bonds.","Chemical communications (Cambridge, England)","2021","57","60","7366","7369","10.1039/d1cc01700d","","","0.71073","MoKα","","0.0374","0.0254","","","0.0512","0.0552","","","","","","1.029","","","","has coordinates","268575","2021-09-06","09:31:38",""
"7128629","7.44","0.03","11.17","0.04","6.3","0.02","90","","90","","90","","524","3","296","2","296","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Ag5 Cl2 P S4 -","- Ag5 Cl2 P S4 -","- Ag10 Cl4 P2 S8 -","2","0.25","","Gao, Lihua; Chu, Yu; Wu, Xiaowen; Zhang, Bingbing; Wu, Kui","From thiophosphate to chalcohalide: mixed-anion AgS<sub>x</sub>Cl<sub>y</sub> ligands concurrently enhancing nonlinear optical effects and laser-damage threshold.","Chemical communications (Cambridge, England)","2021","57","66","8218","8221","10.1039/d1cc02656a","","","0.71073","MoKα","","0.0623","0.0513","","","0.1515","0.1697","","","","","","1.179","","","","has coordinates","268548","2021-09-06","09:13:36",""
"7128630","14.0255","0.0007","16.7687","0.0009","21.8639","0.0015","90","","90","","90","","5142.2","0.5","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H41 O2 Y -","- C26 H41 O2 Y -","- C208 H328 O16 Y8 -","8","1","","Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.","Chemical communications (Cambridge, England)","2021","57","64","7918","7921","10.1039/d1cc03024h","","","0.71073","MoKα","","0.0627","0.0341","","","0.0714","0.0809","","","","","","1.006","","","","has coordinates,has disorder","268538","2021-09-06","09:10:48",""
"7128631","18.808","0.016","8.677","0.007","19.029","0.016","90","","113.609","0.011","90","","2846","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Al La O -","- C28 H50 Al La O -","- C112 H200 Al4 La4 O4 -","4","1","","Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.","Chemical communications (Cambridge, England)","2021","57","64","7918","7921","10.1039/d1cc03024h","","","0.71073","MoKα","","0.042","0.0274","","","0.0521","0.0553","","","","","","0.935","","","","has coordinates","268538","2021-09-06","09:10:49",""
"7128632","16.6514","0.0015","15.0366","0.0013","11.0355","0.001","90","","90","","90","","2763.1","0.4","136","2","136","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H46 Al La O -","- C27 H46 Al La O -","- C108 H184 Al4 La4 O4 -","4","0.5","","Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.","Chemical communications (Cambridge, England)","2021","57","64","7918","7921","10.1039/d1cc03024h","","","0.71073","MoKα","","0.0289","0.025","","","0.0576","0.0596","","","","","","1.055","","","","has coordinates,has disorder","268538","2021-09-06","09:10:49",""
"7128633","10.5384","0.0002","19.7009","0.0004","11.5448","0.0002","90","","97.1483","0.001","90","","2378.25","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H41 O Y -","- C26 H41 O Y -","- C104 H164 O4 Y4 -","4","1","","Bonath, Martin; Birkelbach, Verena M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth-metallocene alkylaluminates trigger distinct tetrahydrofuran activation.","Chemical communications (Cambridge, England)","2021","57","64","7918","7921","10.1039/d1cc03024h","","","0.71073","MoKα","","0.033","0.0291","","","0.0651","0.0662","","","","","","1.123","","","","has coordinates,has disorder","268538","2021-09-06","09:10:49",""
"7128634","28.5568","0.0017","28.5568","0.0017","28.6245","0.0015","90","","90","","90","","23343","2","100.01","0.11","100.01","0.11","","","","","","","","5","I 4/m","-I 4","87","","","","- C264 H224 N76 O36 Pd6 -","- C264 H224 N76 O36 Pd6 -","- C528 H448 N152 O72 Pd12 -","2","0.125","","Li, Wen-Yan; Zhao, Chao-Wei; Zhang, Yue-Feng; Guan, Qun; Wan, Jing-Jing; Ma, Jian-Ping; Li, Yan-An; Dong, Yu-Bin","A metal-organic cage-based nanoagent for enhanced photodynamic antitumor therapy.","Chemical communications (Cambridge, England)","2021","57","64","7954","7957","10.1039/d1cc02629a","","x-ray","1.54178","CuKα","","0.1546","0.1005","","","0.2901","0.3516","","","","","","1.057","","","","has coordinates,has disorder","268533","2021-09-06","09:09:54",""
"7128635","8.8163","0.0003","11.2961","0.0004","12.0369","0.0004","107.789","0.002","95.854","0.002","110.117","0.002","1042.66","0.07","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C54 H42 Cl2 O6 -","2","2","","Ghosh, Arghya; Barik, Shilpa; Shee, Sayan; Biju, Akkattu T.","Enantioselective synthesis of tetra-substituted tetralines and tetrahydro-indolizines by NHC-catalyzed azolium-enolate cascade.","Chemical communications (Cambridge, England)","2021","57","63","7794","7797","10.1039/d1cc03165a","","","0.71073","MoKα","","0.1051","0.0572","","","0.1141","0.1353","","","","","","0.978","","","","has coordinates","268525","2021-09-06","09:08:29",""
"7128636","8.6836","0.0012","9.4176","0.0013","19.321","0.003","83.076","0.003","83.623","0.003","89.078","0.003","1558.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 F3 N2 O2 -","- C15 H17 F3 N2 O2 -","- C60 H68 F12 N8 O8 -","4","2","","Sun, Xi-Shang; Chang, Xin; Shi, Li-Min; Wang, Zuo-Fei; Wei, Liang; Wang, Chun-Jiang","Palladium catalyzed cascade umpolung allylation/acetalation for the construction of quaternary 3-amino oxindoles.","Chemical communications (Cambridge, England)","2021","57","64","7958","7961","10.1039/d1cc03075b","","","0.71073","MoKα","","0.1089","0.062","","","0.1591","0.1864","","","","","","1.019","","","","has coordinates,has disorder","268529","2021-09-06","09:09:13",""
"7128637","8.4111","0.0016","8.4111","0.0016","8.4111","0.0016","90","","90","","90","","595.1","0.2","","","","","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- Bi2 Pt3 S2 -","- Bi2 Pt3 S2 -","- Bi8 Pt12 S8 -","4","0.166667","","Fang, Yuqiang; Wang, Sishun; Lin, Gaoxin; Wang, Xin; Huang, Fuqiang","A new compound Pt<sub>3</sub>Bi<sub>2</sub>S<sub>2</sub> with superior performance for the hydrogen evolution reaction.","Chemical communications (Cambridge, England)","2021","57","64","7946","7949","10.1039/d1cc02741g","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","268528","2021-09-06","09:09:07",""
"7128638","55.5617","0.0014","14.4627","0.0002","24.0687","0.0006","90","","117.802","0.003","90","","17108.3","0.8","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H74 Cl2 Mo9 N2 O41 P V4 -","- C33 H74 Cl2 Mo9 N2 O41 P V4 -","- C264 H592 Cl16 Mo72 N16 O328 P8 V32 -","8","1","","Li, Chifeng; Yamaguchi, Kazuya; Suzuki, Kosuke","Synthesis of a phosphomolybdate with a tetranuclear vanadium core by installing vanadium atoms in a lacunary template using the protecting group strategy.","Chemical communications (Cambridge, England)","2021","57","64","7882","7885","10.1039/d1cc03099j","","","0.71073","MoKα","","0.1177","0.0777","","","0.1682","0.1867","","","","","","1.012","","","","has coordinates","268536","2021-09-06","09:10:25",""
"7128639","17.0243","0.0001","11.2874","0.0001","19.846","0.0002","90","","90.53","0.001","90","","3813.45","0.06","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C41 H31 Br N2 O3 -","- C41 H31 Br N2 O3 -","- C164 H124 Br4 N8 O12 -","4","1","","Yuan, Haoxuan; Hong, Kemiao; Liu, Xiangrong; Qian, Yu; Xu, Xinfang; Hu, Wenhao","Enantioselective assembly of 3,3-disubstituted succinimides <i>via</i> three-component reaction of vinyl diazosuccinimides with alcohols and imines.","Chemical communications (Cambridge, England)","2021","57","65","8043","8046","10.1039/d1cc02876f","","x-ray","1.54184","CuKα","","0.0556","0.0545","","","0.1491","0.1502","","","","","","1.066","","","","has coordinates","268569","2021-09-06","09:30:11",""
"7128640","8.4292","0.0001","17.2642","0.0001","22.5485","0.0002","90","","90","","90","","3281.33","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H27 Br3 N2 O3 -","- C37 H27 Br3 N2 O3 -","- C148 H108 Br12 N8 O12 -","4","1","","Yuan, Haoxuan; Hong, Kemiao; Liu, Xiangrong; Qian, Yu; Xu, Xinfang; Hu, Wenhao","Enantioselective assembly of 3,3-disubstituted succinimides <i>via</i> three-component reaction of vinyl diazosuccinimides with alcohols and imines.","Chemical communications (Cambridge, England)","2021","57","65","8043","8046","10.1039/d1cc02876f","","x-ray","1.54184","CuKα","","0.0344","0.032","","","0.0728","0.0741","","","","","","1.067","","","","has coordinates","268569","2021-09-06","09:30:11",""
"7128641","10.965","0.0003","11.361","0.0003","14.1758","0.0004","75.957","0.002","68.82","0.003","62.077","0.003","1449.14","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C35 H37 Ir P -","- C35 H37 Ir P -","- C70 H74 Ir2 P2 -","2","1","","Chan, Antony P. Y.; Jakoobi, Martin; Wang, Chenxu; Tian, Yancong; Halcovitch, Nathan; Boulatov, Roman; Sergeev, Alexey G.","Selective, radical-free activation of benzylic C-H bonds in methylarenes.","Chemical communications (Cambridge, England)","2021","57","64","7894","7897","10.1039/d1cc03445f","","x-ray","1.54184","CuKα","","0.0179","0.0174","","","0.0483","0.0486","","","","","","1.043","","","","has coordinates","268534","2021-09-06","09:10:01",""
"7128642","9.7485","0.0005","13.2735","0.0005","18.4175","0.001","90","","104.528","0.005","90","","2307","0.2","220.01","0.1","220.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl3 N Sn -","- C16 H36 Cl3 N Sn -","- C64 H144 Cl12 N4 Sn4 -","4","1","","Peng, Hui; Wang, Xinxin; Zhang, Zhenheng; Tian, Ye; Xiao, Yonghao; Hu, Jinming; Wang, Jianping; Zou, Bingsuo","Bulk assembly of a 0D organic tin(ii)chloride hybrid with high anti-water stability.","Chemical communications (Cambridge, England)","2021","57","66","8162","8165","10.1039/d1cc02814f","","x-ray","0.71073","MoKα","","0.1087","0.0742","","","0.2097","0.2304","","","","","","1.087","","","","has coordinates,has disorder","268551","2021-09-06","09:14:18",""
"7128643","25.134","0.002","7.8986","0.0006","30.55","0.002","90","","91.564","0.004","90","","6062.6","0.8","301","2","301","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H27.5 N2 O1.75 -","- C35 H26 N2 O1.75 -","- C280 H208 N16 O14 -","8","1","","Lyu, Hairong; Quan, Yangjian; Cheng, Biao; Xie, Zuowei","Rhodium catalyzed multicomponent dehydrogenative annulation: one-step construction of isoindole derivatives.","Chemical communications (Cambridge, England)","2021","57","64","7930","7933","10.1039/d1cc03424c","","","0.71073","MoKα","","0.1289","0.0826","","","0.2568","0.2952","","","","","","1.081","","","","has coordinates","268532","2021-09-06","09:09:43",""
"7128644","6.8971","0.0003","17.6628","0.0007","20.2921","0.0008","90","","91.795","0.002","90","","2470.81","0.18","180","2","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H12 B F9 N2 -","- C29 H12 B F9 N2 -","- C116 H48 B4 F36 N8 -","4","1","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","","0.71073","MoKα","","0.0769","0.0441","","","0.1022","0.1172","","","","","","1.037","","","","has coordinates,has disorder","268527","2021-09-06","09:09:00",""
"7128645","7.0142","0.0003","17.7383","0.0006","20.3579","0.0006","90","","91.096","0.003","90","","2532.47","0.16","299.99","0.13","299.99","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H12 B F9 N2 -","- C29 H12 B F9 N2 -","- C116 H48 B4 F36 N8 -","4","1","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","x-ray","1.54184","CuKα","","0.1004","0.0548","","","0.1293","0.1608","","","","","","1.029","","","","has coordinates,has disorder","268527","2021-09-06","09:09:00",""
"7128646","17.458","0.008","8.246","0.003","30.523","0.011","90","","95.837","0.014","90","","4371","3","180","2","180","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 B F9 -","- C26 H14 B F9 -","- C208 H112 B8 F72 -","8","1","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","","0.71073","MoKα","","0.0963","0.0545","","","0.1333","0.1549","","","","","","1.029","","","","has coordinates,has disorder","268527","2021-09-06","09:09:00",""
"7128647","7.1478","0.0004","17.7447","0.001","20.423","0.0016","90","","83","","90","","2571.1","0.3","400","","400","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H12 B F9 N2 -","- C29 H12 B F9 N2 -","- C116 H48 B4 F36 N8 -","4","1","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","","1.54184","CuKα","","0.0919","0.0647","","","0.1458","0.157","","","","","","0.878","","","","has coordinates,has disorder","268527","2021-09-06","09:09:00",""
"7128648","8.2738","0.0005","8.7041","0.0006","15.689","0.001","85.63","0.003","77.392","0.002","77.652","0.003","1076.59","0.12","180","2","180","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 B F9 O -","- C26 H12 B F9 O -","- C52 H24 B2 F18 O2 -","2","1","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","","0.71073","MoKα","","0.1098","0.0546","","","0.1265","0.1475","","","","","","1.058","","","","has coordinates,has disorder","268527","2021-09-06","09:09:00",""
"7128649","34.0175","0.0005","10.2599","0.0001","43.7874","0.0006","90","","102.447","0.001","90","","14923.3","0.3","170","0.13","170","0.13","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H12 B F9 N2 -","- C29 H12 B F9 N2 -","- C696 H288 B24 F216 N48 -","24","3","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","x-ray","1.54184","CuKα","","0.0901","0.0613","","","0.1611","0.1808","","","","","","1.044","","","","has coordinates,has disorder","268527","2021-09-06","09:09:00",""
"7128650","8.8732","0.0004","11.496","0.0006","16.2386","0.0009","71.283","0.002","77.713","0.002","89.499","0.002","1529.73","0.14","180","2","180","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H39 B N2 -","- C38 H39 B N2 -","- C76 H78 B2 N4 -","2","1","","Liao, Guanming; Zhang, Jia; Zheng, Xiaoyan; Jia, Xiaodi; Xu, Jialiang; Zhao, Fenggui; Wang, Nan; Liu, Kanglei; Chen, Pangkuan; Yin, Xiaodong","Crystallization-induced emission enhancement of highly electron-deficient dicyanomethylene-bridged triarylboranes.","Chemical communications (Cambridge, England)","2021","57","64","7926","7929","10.1039/d1cc03311e","","","0.71073","MoKα","","0.1052","0.0553","","","0.1307","0.1518","","","","","","1.039","","","","has coordinates","268527","2021-09-06","09:09:00",""
"7128651","16.5124","0.0004","20.7448","0.0006","14.1639","0.0005","90","","90","","90","","4851.8","0.3","120","2","120","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C9 N O17 Th3 -","- C9 N O17 Th3 -","- C72 N8 O136 Th24 -","8","0.25","","Zheng, Zhaofa; Lu, Huangjie; Guo, Xiaofeng; Zhou, Zhengyang; Wang, Yumin; Li, Zi-Jian; Xiao, Guo-Ping; Qian, Yuan; Lin, Jian; Wang, Jian-Qiang","Emergence of a thorium-organic framework as a radiation attenuator for selective X-ray dosimetry.","Chemical communications (Cambridge, England)","2021","57","66","8131","8134","10.1039/d1cc02649f","","","0.71073","MoKα","","0.0308","0.0269","","","0.0638","0.0654","","","","","","1.067","","","","has coordinates,has disorder","268550","2021-09-06","09:14:00",""
"7128652","16.5096","0.0003","20.7464","0.0004","14.1607","0.0003","90","","90","","90","","4850.25","0.16","120","2","120","2","","","","","","","","4","F m m m","-F 2 2","69","","","","- C9 N O17 Th3 -","- C9 N O17 Th3 -","- C72 N8 O136 Th24 -","8","0.25","","Zheng, Zhaofa; Lu, Huangjie; Guo, Xiaofeng; Zhou, Zhengyang; Wang, Yumin; Li, Zi-Jian; Xiao, Guo-Ping; Qian, Yuan; Lin, Jian; Wang, Jian-Qiang","Emergence of a thorium-organic framework as a radiation attenuator for selective X-ray dosimetry.","Chemical communications (Cambridge, England)","2021","57","66","8131","8134","10.1039/d1cc02649f","","","0.71073","MoKα","","0.03","0.028","","","0.0803","0.0817","","","","","","1.17","","","","has coordinates,has disorder","268550","2021-09-06","09:14:00",""
"7128653","10.539","0.002","11.834","0.002","10.092","0.002","90","","114.682","0.006","90","","1143.7","0.4","120","2","119.69","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","","Chakraborti, Gargi; Mandal, Tirtha; Roy, Charles Patriot; Dash, Jyotirmayee","A [3+2] cycloaddition-1,2-acyl migration-hydrolysis cascade for regioselective synthesis of 1,2,3-triazoles in water.","Chemical communications (Cambridge, England)","2021","57","64","7970","7973","10.1039/d1cc02801d","","","0.71073","MoKα","","0.0847","0.0544","","","0.1117","0.1233","","","","","","1.026","","","","has coordinates","268535","2021-09-06","09:10:14",""
"7128654","16.9923","0.0016","5.718","0.0004","7.2858","0.0007","90","","94.649","0.003","90","","705.57","0.11","110","2","110.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Chakraborti, Gargi; Mandal, Tirtha; Roy, Charles Patriot; Dash, Jyotirmayee","A [3+2] cycloaddition-1,2-acyl migration-hydrolysis cascade for regioselective synthesis of 1,2,3-triazoles in water.","Chemical communications (Cambridge, England)","2021","57","64","7970","7973","10.1039/d1cc02801d","","","0.71073","MoKα","","0.056","0.0512","","","0.1349","0.1418","","","","","","1.046","","","","has coordinates","268535","2021-09-06","09:10:14",""
"7128655","6.91","0.0014","16.06","0.003","12.25","0.003","90","","91.67","0.03","90","","1358.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O2 Si -","- C14 H18 O2 Si -","- C56 H72 O8 Si4 -","4","1","","Priebbenow, Daniel L.; Hua, Carol","Acyl silane directed Cp*Rh(III)-catalysed alkylation/annulation reactions.","Chemical communications (Cambridge, England)","2021","57","64","7938","7941","10.1039/d1cc03051e","","","0.71073","MoKα","","0.155","0.1174","","","0.3122","0.3947","","","","","","1.603","","","","has coordinates","268537","2021-09-06","09:10:33",""
"7128656","16.14","0.003","7.02","0.0014","12.55","0.003","90","","90","","90","","1422","0.5","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H20 O2 Si -","- C15 H20 O2 Si -","- C60 H80 O8 Si4 -","4","0.5","","Priebbenow, Daniel L.; Hua, Carol","Acyl silane directed Cp*Rh(III)-catalysed alkylation/annulation reactions.","Chemical communications (Cambridge, England)","2021","57","64","7938","7941","10.1039/d1cc03051e","","","0.71073","MoKα","","0.0585","0.0464","","","0.148","0.2006","","","","","","1.091","","","","has coordinates,has disorder","268537","2021-09-06","09:10:34",""
"7128657","6.747","0.002","9.863","0.003","25.692","0.007","90","","95.475","0.009","90","","1701.9","0.9","297","","297","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Wu, Shi-Ping; Wang, Dong-Kai; Kang, Qing-Qing; Ge, Guo-Ping; Zheng, Hongxing; Zhu, Meiling; Li, Ting; Zhang, Jun-Qi; Wei, Wen-Ting","Sulfonyl radical triggered selective iodosulfonylation and bicyclization of 1,6-dienes.","Chemical communications (Cambridge, England)","2021","57","67","8288","8291","10.1039/d1cc03252f","","","0.71073","MoKα","","0.0573","0.047","","","0.1323","0.1424","","","","","","1.027","","","","has coordinates","268606","2021-09-06","09:38:52",""
"7128658","5.8434","0.0002","9.9102","0.0003","17.9362","0.0005","82.413","0.001","86.455","0.001","89.466","0.001","1027.61","0.06","170","2","170","","","","","","","","","4","P 1","P 1","1","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C46 H50 N2 O8 -","2","2","","Hu, Yimin; Yan, Zhengyang; Shi, Wangyu; Liao, Jianning; Liu, Min; Pan, Ting; Wang, Wei; Wu, Yongjun; Hao, Xianghong; Guo, Hongchao","Copper/Lewis base cooperatively catalyzed asymmetric allylic alkylation of Morita-Baylis-Hillman carbonates with azomethine ylides.","Chemical communications (Cambridge, England)","2021","57","65","8059","8062","10.1039/d1cc02861h","","","1.54178","CuKα","","0.0281","0.0271","","","0.0667","0.0674","","","","","","1.049","","","","has coordinates","268570","2021-09-06","09:30:18",""
"7128659","7.3289","0.0006","17.1125","0.0016","28.191","0.002","90","","90","","90","","3535.6","0.5","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H14 Cl F2 N O2 -","- C20 H14 Cl F2 N O2 -","- C160 H112 Cl8 F16 N8 O16 -","8","1","","Wang, Shi-Chao; Liu, Peng-Yu; Chen, Yi-Xin; Shen, Zheng-Jia; Hao, Wen-Juan; Tu, Shu-Jiang; Jiang, Bo","Copper/silver <i>co</i>-mediated three-component bicyclization for accessing indeno[1,2-<i>c</i>]azepine-3,6-diones.","Chemical communications (Cambridge, England)","2021","57","64","7966","7969","10.1039/d1cc02973h","","","0.71073","MoKα","","0.1179","0.0654","","","0.1465","0.1649","","","","","","1.075","","","","has coordinates","268530","2021-09-06","09:09:20",""
"7128660","10.223","0.002","13.603","0.003","15.047","0.003","104","0.007","97.928","0.006","90.021","0.007","2009.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","4',4'-dimethyl-5'-phenyl-4,5-bis(trifluoromethyl)-4',5'-dihydro-2?5-spiro[[1,3,2]dioxaphosphole-2,2'-[2,5]epoxybenzo[d][1,3,6,2]trioxaphosphocine]","","","- C20 H15 F6 O6 P -","- C20 H15 F6 O6 P -","- C80 H60 F24 O24 P4 -","4","2","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Ivkova, Gulnara A.; Khayarov, Khasan R.; Islamov, Daut R.; Litvinov, Igor A.","The formation of cage phosphoranes and their rearrangements in the reactions of substituted 2-(3-oxo-3-phenyl)ethoxybenzo[d]-1,3,2-dioxaphospholes with perfluorodiacetyl.","Chemical communications (Cambridge, England)","2021","57","68","8516","8519","10.1039/d1cc02941j","","","0.71073","MoKα","","0.1185","0.0613","","","0.1391","0.1653","","","","","","1.036","","","","has coordinates","268564","2021-09-06","09:29:23",""
"7128661","10.1241","0.0001","13.5556","0.0002","34.2865","0.0004","90","","98.111","0.001","90","","4658.35","0.1","99.99","0.13","99.99","0.13","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C23 H19 F6 O6 P -","- C23 H19 F6 O6 P -","- C184 H152 F48 O48 P8 -","8","1","","Mironov, Vladimir F.; Dimukhametov, Mudaris N.; Ivkova, Gulnara A.; Khayarov, Khasan R.; Islamov, Daut R.; Litvinov, Igor A.","The formation of cage phosphoranes and their rearrangements in the reactions of substituted 2-(3-oxo-3-phenyl)ethoxybenzo[d]-1,3,2-dioxaphospholes with perfluorodiacetyl.","Chemical communications (Cambridge, England)","2021","57","68","8516","8519","10.1039/d1cc02941j","","x-ray","1.54184","CuKα","","0.0377","0.035","","","0.091","0.0928","","","","","","1.056","","","","has coordinates","268564","2021-09-06","09:29:23",""
"7128662","11.4145","0.0005","17.9367","0.0008","8.0609","0.0003","90","","108.893","0.002","90","","1561.46","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Br N4 -","- C20 H13 Br N4 -","- C80 H52 Br4 N16 -","4","1","","Miao, Fang; Chen, Hanjiao; Moles Quintero, Sergio; Xue, Guodong; Casado, Juan; Zheng, Yonghao","A nitrogen-doped asymmetric phenalenyl with a zwitterionic ground state.","Chemical communications (Cambridge, England)","2021","57","68","8433","8436","10.1039/d1cc02890a","","x-ray","1.54178","CuKα","","0.0283","0.0273","","","0.0771","0.078","","","","","","1.038","","","","has coordinates","268557","2021-09-06","09:17:04",""
"7128663","9.5314","0.0003","16.2298","0.0005","16.303","0.0005","91.074","0.002","103.031","0.002","93.835","0.002","2450.02","0.13","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C47 H49 B Br Cl3 N7 O2 P Pt W -","- C47 H49 B Br Cl3 N7 O2 P Pt W -","- C94 H98 B2 Br2 Cl6 N14 O4 P2 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Construction of an iminoketenylidene.","Chemical communications (Cambridge, England)","2021","57","68","8480","8483","10.1039/d1cc03310g","","x-ray","1.54184","CuKα","","0.0391","0.0329","","","0.0836","0.0876","","","","","","1.047","","","","has coordinates","268559","2021-09-06","09:18:37",""
"7128664","20.9197","0.0003","13.80583","0.00017","34.4091","0.0006","90","","90.7607","0.0014","90","","9936.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C41 H46 B Br Cl3 N8 O2 Pt W -","- C38 H45 B Br N8 O2 Pt W -","- C304 H360 B8 Br8 N64 O16 Pt8 W8 -","8","1","","Burt, Liam K.; Hill, Anthony F.","Construction of an iminoketenylidene.","Chemical communications (Cambridge, England)","2021","57","68","8480","8483","10.1039/d1cc03310g","","x-ray","1.54184","CuKα","","0.0427","0.0341","","","0.0802","0.0865","","","","","","1.04","","","","has coordinates","268559","2021-09-06","09:18:47",""
"7128665","20.9875","0.0003","15.7357","0.0002","26.1799","0.0005","90","","105.436","0.002","90","","8334.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C89 H83 B2 Cl6 N7 O2 P2 Pt W -","- C89 H83 B2 Cl6 N7 O2 P2 Pt W -","- C356 H332 B8 Cl24 N28 O8 P8 Pt4 W4 -","4","1","","Burt, Liam K.; Hill, Anthony F.","Construction of an iminoketenylidene.","Chemical communications (Cambridge, England)","2021","57","68","8480","8483","10.1039/d1cc03310g","","x-ray","1.54184","CuKα","","0.0686","0.0471","","","0.1152","0.1277","","","","","","1.044","","","","has coordinates","268559","2021-09-06","09:18:50",""
"7128666","11.8143","0.0003","14.7029","0.0004","22.6429","0.0008","100.17","0.003","103.965","0.003","107.433","0.002","3507.6","0.2","150","0.1","150","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C64 H62 B Cl3 F6 N7 O2 P3 Pt W -","- C64 H62 B Cl3 F6 N7 O2 P3 Pt W -","- C128 H124 B2 Cl6 F12 N14 O4 P6 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Construction of an iminoketenylidene.","Chemical communications (Cambridge, England)","2021","57","68","8480","8483","10.1039/d1cc03310g","","x-ray","0.71073","MoKα","","0.0644","0.0442","","","0.0944","0.1033","","","","","","1.052","","","","has coordinates,has disorder","268559","2021-09-06","09:19:03",""
"7128667","9.4191","0.0002","15.8501","0.0004","16.1962","0.0004","88.182","0.002","77.516","0.002","82.34","0.002","2339.74","0.1","150.01","0.1","150.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C46 H48 B Br Cl2 N7 O2 P Pt W -","- C46 H48 B Br Cl2 N7 O2 P Pt W -","- C92 H96 B2 Br2 Cl4 N14 O4 P2 Pt2 W2 -","2","1","","Burt, Liam K.; Hill, Anthony F.","Construction of an iminoketenylidene.","Chemical communications (Cambridge, England)","2021","57","68","8480","8483","10.1039/d1cc03310g","","x-ray","1.54184","CuKα","","0.049","0.0417","","","0.1045","0.1116","","","","","","1.017","","","","has coordinates","268559","2021-09-06","09:19:05",""
"7128668","8.4175","0.0002","12.4824","0.0002","10.4064","0.0002","90","","113.774","0.0009","90","","1000.62","0.04","170","2","170.03","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 B10 I -","- C16 H21 B10 I -","- C32 H42 B20 I2 -","2","1","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.0239","0.0229","","","0.0544","0.055","","","","","","1.092","","","","has coordinates","268571","2021-09-06","09:30:33",""
"7128669","12.1538","0.0002","18.859","0.0003","17.6061","0.0003","90","","99.467","0.001","90","","3980.51","0.11","170","2","169.99","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H52 B10 -","- C42 H52 B10 -","- C168 H208 B40 -","4","1","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.0717","0.0538","","","0.1641","0.1798","","","","","","1.282","","","","has coordinates,has disorder","268571","2021-09-06","09:30:34",""
"7128670","24.0553","0.0004","10.9373","0.0002","17.0806","0.0003","90","","133.676","0.001","90","","3250.25","0.11","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 B10 I2 -","- C30 H30 B10 I2 -","- C120 H120 B40 I8 -","4","0.5","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.0495","0.0412","","","0.1046","0.1111","","","","","","1.074","","","","has coordinates","268571","2021-09-06","09:30:34",""
"7128671","11.4458","0.0002","12.7974","0.0002","14.4835","0.0003","90","","99.139","0.001","90","","2094.56","0.07","170","2","170.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 B10 I -","- C16 H21 B10 I -","- C64 H84 B40 I4 -","4","1","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.0332","0.032","","","0.0777","0.0787","","","","","","1.065","","","","has coordinates","268571","2021-09-06","09:30:34",""
"7128672","17.3533","0.0019","10.5696","0.0012","19.807","0.003","90","","97.064","0.009","90","","3605.4","0.8","170","2","169.98","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 B10 -","- C42 H40 B10 -","- C168 H160 B40 -","4","0.5","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.1518","0.1009","","","0.2362","0.2748","","","","","","1.055","","","","has coordinates","268571","2021-09-06","09:30:34",""
"7128673","19.5313","0.0003","21.5989","0.0003","17.6102","0.0003","90","","116.151","0.001","90","","6668.48","0.19","170","2","170.04","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 B10 -","- C36 H40 B10 -","- C288 H320 B80 -","8","2","","Ge, Yixiu; Qiu, Zaozao; Xie, Zuowei","Pd-catalyzed selective tetrafunctionalization of diiodo-<i>o</i>-carboranes.","Chemical communications (Cambridge, England)","2021","57","65","8071","8074","10.1039/d1cc03449a","","","1.34139","GaKα","","0.0876","0.0595","","","0.1372","0.1561","","","","","","1.026","","","","has coordinates","268571","2021-09-06","09:30:34",""
"7128674","8.4668","0.0001","12.0291","0.0001","18.2481","0.0002","90","","90","","90","","1858.53","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br N2 O2 -","- C23 H15 Br N2 O2 -","- C92 H60 Br4 N8 O8 -","4","1","","Sun, Lincong; Liu, Bingxian; Zhao, Yanlian; Chang, Junbiao; Kong, Lingheng; Wang, Fen; Deng, Wei-Qiao; Li, Xingwei","Rhodium(iii)-catalyzed asymmetric [4+1] spiroannulations of O-pivaloyl oximes with α-diazo compounds.","Chemical communications (Cambridge, England)","2021","57","67","8268","8271","10.1039/d1cc02888j","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0731","0.0736","","","","","","1.076","","","","has coordinates","268604","2021-09-06","09:38:38",""
"7128675","8.5174","0.0004","10.7513","0.0005","10.7978","0.0006","90.516","0.004","103.384","0.004","98.725","0.004","949.8","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Sun, Lincong; Liu, Bingxian; Zhao, Yanlian; Chang, Junbiao; Kong, Lingheng; Wang, Fen; Deng, Wei-Qiao; Li, Xingwei","Rhodium(iii)-catalyzed asymmetric [4+1] spiroannulations of O-pivaloyl oximes with α-diazo compounds.","Chemical communications (Cambridge, England)","2021","57","67","8268","8271","10.1039/d1cc02888j","","x-ray","1.54184","CuKα","","0.0646","0.0561","","","0.1589","0.1664","","","","","","1.042","","","","has coordinates","268604","2021-09-06","09:38:39",""
"7128676","7.461","0.0005","10.276","0.0005","11.7263","0.0008","70.212","0.005","73.352","0.006","70.063","0.005","780.25","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O3 -","- C18 H16 N O3 -","- C36 H32 N2 O6 -","2","1","","Sun, Lincong; Liu, Bingxian; Zhao, Yanlian; Chang, Junbiao; Kong, Lingheng; Wang, Fen; Deng, Wei-Qiao; Li, Xingwei","Rhodium(iii)-catalyzed asymmetric [4+1] spiroannulations of O-pivaloyl oximes with α-diazo compounds.","Chemical communications (Cambridge, England)","2021","57","67","8268","8271","10.1039/d1cc02888j","","x-ray","1.54184","CuKα","","0.0619","0.0552","","","0.1509","0.1588","","","","","","1.045","","","","has coordinates","268604","2021-09-06","09:38:39",""
"7128677","16.141","0.004","24.753","0.006","25.146","0.007","77.616","0.007","75.227","0.007","86.972","0.016","9489","4","100","","100","","","","","","","","","7","P -1","-P 1","2","DyL2","","","- C123 H184 Dy F9 O41 P8 S3 -","- C122 H184 Dy F6 O38 P8 S2 -","- C244 H368 Dy2 F12 O76 P16 S4 -","2","1","","Hosseinzadeh, Marjan; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Phosphorylated-calix[4]arene double-deckers of single rare earth metal ions.","Chemical communications (Cambridge, England)","2021","57","65","8087","8090","10.1039/d1cc02910j","","","1.54178","CuKα","","0.1103","0.0844","","","0.2372","0.2608","","","","","","1.035","","","","has coordinates,has disorder","268573","2021-09-06","09:31:08",""
"7128678","17.915","0.003","20.056","0.004","22.245","0.004","90","","90","","90","","7993","3","173","2","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H23 B F15 O P -","- C46 H23 B F15 O P -","- C368 H184 B8 F120 O8 P8 -","8","1","","Torres, Lucas C.; Dobrovetsky, Roman; Caputo, Christopher B.","Allenic phosphonium borate zwitterions via a phosphonium allenylidene intermediate.","Chemical communications (Cambridge, England)","2021","57","67","8272","8275","10.1039/d1cc03249f","","","0.71073","MoKα","","0.0585","0.0416","","","0.107","0.1229","","","","","","1.08","","","","has coordinates","268603","2021-09-06","09:38:31",""
"7128679","6.157","0.0009","10.7695","0.0015","17.131","0.002","79.693","0.005","81.084","0.005","88.594","0.005","1104.1","0.3","173","2","173","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 O P -","- C28 H23 O P -","- C56 H46 O2 P2 -","2","1","","Torres, Lucas C.; Dobrovetsky, Roman; Caputo, Christopher B.","Allenic phosphonium borate zwitterions via a phosphonium allenylidene intermediate.","Chemical communications (Cambridge, England)","2021","57","67","8272","8275","10.1039/d1cc03249f","","","0.71073","MoKα","","0.0782","0.071","","","0.176","0.1814","","","","","","1.087","","","","has coordinates","268603","2021-09-06","09:38:31",""
"7128680","18.5329","0.0002","17.6088","0.0002","9.477","0.00011","90","","102.175","0.0012","90","","3023.18","0.06","150.01","0.1","150.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H13 F3 O -","- C20 H13 F3 O -","- C160 H104 F24 O8 -","8","1","","Sanz-Vidal, Alvaro; Gaviña, Daniel; Sotorríos, Lia; Gómez-Bengoa, Enrique; López Ortiz, Fernando; Sánchez-Roselló, María; Del Pozo, Carlos","Unexpected metal-free synthesis of trifluoromethyl arenes <i>via</i> tandem coupling of dicyanoalkenes and conjugated fluorinated sulfinyl imines.","Chemical communications (Cambridge, England)","2021","57","65","8023","8026","10.1039/d1cc03161a","","x-ray","1.54184","CuKα","","0.0431","0.0401","","","0.111","0.1137","","","","","","1.05","","","","has coordinates,has disorder","268567","2021-09-06","09:29:55",""
"7128681","8.7235","0.0004","9.8806","0.0003","10.7952","0.0004","99.278","0.003","94.538","0.003","113.082","0.003","834.34","0.06","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H17 F3 O -","- C22 H17 F3 O -","- C44 H34 F6 O2 -","2","1","","Sanz-Vidal, Alvaro; Gaviña, Daniel; Sotorríos, Lia; Gómez-Bengoa, Enrique; López Ortiz, Fernando; Sánchez-Roselló, María; Del Pozo, Carlos","Unexpected metal-free synthesis of trifluoromethyl arenes <i>via</i> tandem coupling of dicyanoalkenes and conjugated fluorinated sulfinyl imines.","Chemical communications (Cambridge, England)","2021","57","65","8023","8026","10.1039/d1cc03161a","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0865","0.0875","","","","","","1.078","","","","has coordinates","268567","2021-09-06","09:29:55",""
"7128682","17.3827","0.0003","22.9977","0.0004","38.292","0.0006","90","","90","","90","","15307.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C141 H204 O21 P3 Tb3 -","- C141 H204 O21 P3 Tb3 -","- C564 H816 O84 P12 Tb12 -","4","1","","Kitagawa, Yuichi; Matsuda, Kenji; da Rosa, Pedro Paulo Ferreira; Fushimi, Koji; Hasegawa, Yasuchika","Long-lived emission beyond 1000 nm: control of excited-state dynamics in a dinuclear Tb(III)-Nd(III) complex.","Chemical communications (Cambridge, England)","2021","57","65","8047","8050","10.1039/d1cc03596g","","x-ray","0.71073","MoKα","","0.0521","0.0398","","","0.0918","0.0949","","","","","","1.051","","","","has coordinates","268572","2021-09-06","09:30:54",""
"7128683","13.4524","0.0005","16.5651","0.0006","22.9953","0.0009","88.5491","0.0013","75.5823","0.0011","87.8446","0.0011","4958.7","0.3","123","2","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C98 H138 O14 P2 Tb2 -","- C96 H138 O14 P2 Tb2 -","- C192 H276 O28 P4 Tb4 -","2","1","","Kitagawa, Yuichi; Matsuda, Kenji; da Rosa, Pedro Paulo Ferreira; Fushimi, Koji; Hasegawa, Yasuchika","Long-lived emission beyond 1000 nm: control of excited-state dynamics in a dinuclear Tb(III)-Nd(III) complex.","Chemical communications (Cambridge, England)","2021","57","65","8047","8050","10.1039/d1cc03596g","","","0.71075","MoKα","","0.089","0.07","","","0.1601","0.1693","","","","","","1.242","","","","has coordinates,has disorder","268572","2021-09-06","09:30:54",""
"7128684","5.4939","0.0006","9.5425","0.0011","29.273","0.004","82.514","0.006","87.742","0.006","84.22","0.006","1513.3","0.3","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H47 N5 O4 S -","- C28 H47 N5 O4 S -","- C56 H94 N10 O8 S2 -","2","1","","O'Neil, Alex T; Harrison, John A.; Kitchen, Jonathan A.","Ultra-thin films of amphiphilic lanthanide complexes: multi-colour emission from molecular monolayers.","Chemical communications (Cambridge, England)","2021","57","65","8067","8070","10.1039/d1cc02628c","","","1.54178","CuKα","","0.0549","0.0496","","","0.1233","0.1277","","","","","","1.067","","","","has coordinates","268568","2021-09-06","09:30:03",""
"7128685","12.8055","0.0002","15.3364","0.0002","22.2271","0.0003","90","","103.073","0.001","90","","4252.05","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B2 N2 O4 -","- C32 H32 B2 N2 O4 -","- C192 H192 B12 N12 O24 -","6","1.5","","Verma, Piyush Kumar; Meher, Naresh Kumar; Geetharani, K.","Homolytic cleavage of diboron(4) compounds using diazabutadiene derivatives.","Chemical communications (Cambridge, England)","2021","57","64","7886","7889","10.1039/d1cc02881b","","","0.71073","MoKα","","0.0795","0.0478","","","0.1131","0.1325","","","","","","1.02","","","","has coordinates","268531","2021-09-06","09:09:34",""
"7128686","22.8528","0.0009","13.7386","0.0005","12.6423","0.0005","90","","118.405","0.002","90","","3491.4","0.2","296","","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 B2 N2 O4 -","- C38 H44 B2 N2 O4 -","- C152 H176 B8 N8 O16 -","4","0.5","","Verma, Piyush Kumar; Meher, Naresh Kumar; Geetharani, K.","Homolytic cleavage of diboron(4) compounds using diazabutadiene derivatives.","Chemical communications (Cambridge, England)","2021","57","64","7886","7889","10.1039/d1cc02881b","","","0.71073","MoKα","","0.0971","0.0719","","","0.1781","0.2106","","","","","","0.935","","","","has coordinates","268531","2021-09-06","09:09:34",""
"7128687","8.824","0.0002","10.816","0.0003","11.5045","0.0003","110.59","0.001","93.642","0.001","105.924","0.001","972.67","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N3 O2 -","- C21 H24 N O3 -","- C42 H48 N2 O6 -","2","1","","Verma, Piyush Kumar; Meher, Naresh Kumar; Geetharani, K.","Homolytic cleavage of diboron(4) compounds using diazabutadiene derivatives.","Chemical communications (Cambridge, England)","2021","57","64","7886","7889","10.1039/d1cc02881b","","","0.71073","MoKα","","0.0967","0.0667","","","0.2051","0.2373","","","","","","1.027","","","","has coordinates","268531","2021-09-06","09:09:34",""
"7128688","5.3254","0.001","8.7035","0.0016","11.343","0.002","92.747","0.01","102.575","0.01","107.729","0.01","485.06","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","SZ-7","","","- C12 H2 F2 N2 O6 P2 Zr -","- C12 H4 F2 N2 O6 P2 Zr -","- C12 H4 F2 N2 O6 P2 Zr -","1","0.5","","Zhang, Jiarong; Chen, Long; Dai, Xing; Chen, Lixi; Zhai, Fuwan; Yu, Weifeng; Guo, Shikai; Yang, Lijiang; Chen, Lanhua; Zhang, Yugang; He, Linwei; Chen, Changlun; Chai, Zhifang; Wang, Shuao","Efficient Sr-90 removal from highly alkaline solution by an ultrastable crystalline zirconium phosphonate.","Chemical communications (Cambridge, England)","2021","57","68","8452","8455","10.1039/d1cc02446a","","","0.71073","MoKα","","0.1314","0.0995","","","0.275","0.2953","","","","","","1.078","","","","has coordinates","268561","2021-09-06","09:23:55",""
"7128689","12.2864","0.0007","12.6134","0.0007","17.4682","0.001","76.476","0.003","89.608","0.004","89.864","0.003","2632","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C120.67 H95.33 Cl13.83 N4 -","- C120.667 H95.3332 Cl13.8332 N4 -","- C120.667 H95.3332 Cl13.8332 N4 -","1","0.5","","Baggi, Giorgio; Wilson, Benjamin H.; Dhara, Ayan; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Dynamics of a [2]rotaxane wheel in a crystalline molecular solid.","Chemical communications (Cambridge, England)","2021","57","66","8210","8213","10.1039/d1cc03009d","","","1.54178","CuKα","","0.1573","0.1323","","","0.3131","0.3326","","","","","","1.041","","","","has coordinates,has disorder","268552","2021-09-06","09:14:34",""
"7128690","9.0214","0.0009","13.7471","0.0013","22.9679","0.0019","94.14","0.007","93.355","0.008","100.854","0.008","2782.6","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H118 N4 O6 -","- C132 H118 N4 O6 -","- C132 H118 N4 O6 -","1","0.5","","Baggi, Giorgio; Wilson, Benjamin H.; Dhara, Ayan; O'Keefe, Christopher A; Schurko, Robert W.; Loeb, Stephen J.","Dynamics of a [2]rotaxane wheel in a crystalline molecular solid.","Chemical communications (Cambridge, England)","2021","57","66","8210","8213","10.1039/d1cc03009d","","x-ray","1.54184","CuKα","","0.1798","0.0817","","","0.1925","0.2472","","","","","","0.901","","","","has coordinates,has disorder","268552","2021-09-06","09:14:36",""
"7128691","10.36756","0.00012","11.59613","0.00014","17.36693","0.00019","90","","90","","90","","2087.91","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F2 N2 O3 S -","- C22 H22 F2 N2 O3 S -","- C88 H88 F8 N8 O12 S4 -","4","1","","Dai, Rui-Han; Han, Lu; Wang, Qi; Tian, Shi-Kai","Strain-release C-C bond cleavage enables the [2,3]-sigmatropic rearrangement of tertiary allylamines.","Chemical communications (Cambridge, England)","2021","57","68","8449","8451","10.1039/d1cc03141d","","x-ray","1.54184","CuKα","","0.0367","0.0361","","","0.0996","0.1003","","","","","","1.089","","","","has coordinates","268562","2021-09-06","09:26:33",""
"7128692","12.21316","0.00016","17.3615","0.0002","10.31999","0.00014","90","","98.3484","0.0013","90","","2165.05","0.05","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F2 N2 O3 S -","- C22 H22 F2 N2 O3 S -","- C88 H88 F8 N8 O12 S4 -","4","1","","Dai, Rui-Han; Han, Lu; Wang, Qi; Tian, Shi-Kai","Strain-release C-C bond cleavage enables the [2,3]-sigmatropic rearrangement of tertiary allylamines.","Chemical communications (Cambridge, England)","2021","57","68","8449","8451","10.1039/d1cc03141d","","x-ray","1.54184","CuKα","","0.0515","0.0468","","","0.1295","0.1348","","","","","","1.03","","","","has coordinates","268562","2021-09-06","09:27:09",""
"7128693","14.0571","0.0005","17.3975","0.0006","13.7185","0.0005","90","","106.085","0.004","90","","3223.6","0.2","293.24","0.1","293.24","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H32 Mn2 N4 O12 -","- C48 H32 Mn2 N4 O12 -","- C96 H64 Mn4 N8 O24 -","2","0.25","","Qin, Jian-Hua; Xu, Peng; Huang, Ya-Dan; Xiao, Lu-Yao; Lu, Weiwei; Yang, Xiao-Gang; Ma, Lu-Fang; Zang, Shuang-Quan","High loading of Mn(ii)-metalated porphyrin in a MOF for photocatalytic CO<sub>2</sub> reduction in gas-solid conditions.","Chemical communications (Cambridge, England)","2021","57","68","8468","8471","10.1039/d1cc02847b","","x-ray","0.71073","MoKα","","0.0559","0.0416","","","0.1227","0.1282","","","","","","1.106","","","","has coordinates","268560","2021-09-06","09:21:11",""
"7128694","6.2206","0.0006","18.2032","0.0013","18.9733","0.0015","90","","94.68","0.007","90","","2141.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O4 -","- C27 H23 N O4 -","- C108 H92 N4 O16 -","4","1","","Gong, Lingzhen; Zhao, He; Yang, Jian; Jiang, Huanfeng; Zhang, Min","Selective construction of fused heterocycles by an iridium-catalyzed reductive three-component annulation reaction.","Chemical communications (Cambridge, England)","2021","57","67","8292","8295","10.1039/d1cc03332h","","","0.71073","MoKα","","0.1267","0.0705","","","0.1265","0.1507","","","","","","1.022","","","","has coordinates","268605","2021-09-06","09:38:45",""
"7128695","34.119","0.008","6.9698","0.0017","23.025","0.006","90","","107.554","0.004","90","","5220","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 B9 N O -","- C22 H36 B9 N O -","- C176 H288 B72 N8 O8 -","8","1","","Huang, Ronghui; Zhao, Weijia; Xu, Shengwen; Xu, Jingkai; Li, Chunxiao; Lu, Changsheng; Yan, Hong","Photoredox B-H functionalization to selective B-N(sp<sup>3</sup>) coupling of nido-carborane with primary and secondary amines.","Chemical communications (Cambridge, England)","2021","57","69","8580","8583","10.1039/d1cc03326c","","","0.71073","MoKα","","0.1053","0.0744","","","0.2067","0.236","","","","","","1.042","","","","has coordinates","268610","2021-09-06","09:43:53",""
"7128696","6.9564","0.0003","11.0803","0.0005","17.5164","0.0008","81.973","0.002","88.116","0.002","82.705","0.002","1325.94","0.1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 B9 Cl2 N -","- C23 H32 B9 Cl2 N -","- C46 H64 B18 Cl4 N2 -","2","1","","Huang, Ronghui; Zhao, Weijia; Xu, Shengwen; Xu, Jingkai; Li, Chunxiao; Lu, Changsheng; Yan, Hong","Photoredox B-H functionalization to selective B-N(sp<sup>3</sup>) coupling of nido-carborane with primary and secondary amines.","Chemical communications (Cambridge, England)","2021","57","69","8580","8583","10.1039/d1cc03326c","","","0.71073","MoKα","","0.0975","0.0677","","","0.1257","0.1387","","","","","","1.077","","","","has coordinates,has disorder","268610","2021-09-06","09:43:57",""
"7128697","39.638","0.012","6.973","0.002","16.345","0.005","90","","107.786","0.005","90","","4302","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 B9 N O -","- C18 H28 B9 N O -","- C144 H224 B72 N8 O8 -","8","1","","Huang, Ronghui; Zhao, Weijia; Xu, Shengwen; Xu, Jingkai; Li, Chunxiao; Lu, Changsheng; Yan, Hong","Photoredox B-H functionalization to selective B-N(sp<sup>3</sup>) coupling of nido-carborane with primary and secondary amines.","Chemical communications (Cambridge, England)","2021","57","69","8580","8583","10.1039/d1cc03326c","","","0.71073","MoKα","","0.1039","0.0583","","","0.1456","0.1755","","","","","","1.023","","","","has coordinates","268610","2021-09-06","09:44:01",""
"7128698","15.736","0.0011","10.2256","0.0007","14.5955","0.0011","90","","117.508","0.003","90","","2083","0.3","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Ge N -","- C24 H31 Ge N -","- C96 H124 Ge4 N4 -","4","1","","Yang, Shuo; Jiang, Wei-Tao; Xiao, Bin","Tertiary cyclopropyl carbagermatranes: synthesis and cross-coupling.","Chemical communications (Cambridge, England)","2021","57","66","8143","8146","10.1039/d1cc02930d","","","1.34139","GaKα","","0.0441","0.0411","","","0.1135","0.1175","","","","","","1.069","","","","has coordinates","268547","2021-09-06","09:13:20",""
"7128699","32.854","0.006","5.8699","0.0012","34.286","0.006","90","","90","","90","","6612","2","173","2","173","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H20 O -","- C22 H20 O -","- C352 H320 O16 -","16","2","","Yang, Shuo; Jiang, Wei-Tao; Xiao, Bin","Tertiary cyclopropyl carbagermatranes: synthesis and cross-coupling.","Chemical communications (Cambridge, England)","2021","57","66","8143","8146","10.1039/d1cc02930d","","","1.34139","GaKα","","0.2265","0.1063","","","0.2407","0.3178","","","","","","0.977","","","","has coordinates","268547","2021-09-06","09:13:23",""
"7128700","13.0496","0.0002","13.9185","0.0002","20.5273","0.0003","94.291","0.001","106.075","0.001","116.436","0.001","3121.81","0.09","123.15","","123.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H94 K N4 O9 V -","- C64 H94 K N4 O9 V -","- C128 H188 K2 N8 O18 V2 -","2","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","1.54184","CuKα","","0.0419","0.0396","","","0.1065","0.1081","","","","","","1.041","","","","has coordinates","268607","2021-09-06","09:39:21",""
"7128701","28.8046","0.0005","28.1999","0.0006","29.2972","0.0005","90","","90","","90","","23797.7","0.8","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C132.5 H166 K2 N4 O8 V2 -","- C122 H154 K2 N4 O8 V2 -","- C976 H1232 K16 N32 O64 V16 -","8","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","0.71073","MoKα","","0.161","0.0882","","","0.1676","0.1966","","","","","","1.026","","","","has coordinates,has disorder","268607","2021-09-06","09:39:22",""
"7128702","13.4233","0.0003","16.9491","0.0004","19.8449","0.0004","67.448","0.002","81.026","0.002","69.914","0.002","3914.57","0.17","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H115 K N4 O5 V -","- C86 H115 K N4 O5 V -","- C172 H230 K2 N8 O10 V2 -","2","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","0.71073","MoKα","","0.0817","0.0591","","","0.1559","0.1717","","","","","","1.03","","","","has coordinates,has disorder","268607","2021-09-06","09:39:22",""
"7128703","39.7195","0.0002","17.1396","0.0001","18.6902","0.0001","90","","93.079","0.001","90","","12705.5","0.12","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H94 K N5 O4 V -","- C65 H94 K N5 O4 V -","- C520 H752 K8 N40 O32 V8 -","8","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","1.54184","CuKα","","0.039","0.0363","","","0.1006","0.1026","","","","","","1.066","","","","has coordinates,has disorder","268607","2021-09-06","09:39:22",""
"7128704","14.2203","0.0004","22.6239","0.0007","15.3959","0.0004","90","","96.58","0.002","90","","4920.5","0.2","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H69 K N2 O4 Si V -","- C48 H69 K N2 O4 Si V -","- C192 H276 K4 N8 O16 Si4 V4 -","4","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","0.71073","MoKα","","0.0661","0.0465","","","0.1014","0.1107","","","","","","1.027","","","","has coordinates,has disorder","268607","2021-09-06","09:39:22",""
"7128705","12.3804","0.0002","14.2439","0.0003","16.395","0.0003","73.837","0.002","70.96","0.002","68.344","0.002","2498.7","0.09","123.15","","123.15","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H64 N3 O4 V -","- C57 H64 N3 O4 V -","- C114 H128 N6 O8 V2 -","2","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","1.54184","CuKα","","0.0395","0.0361","","","0.0969","0.0992","","","","","","1.083","","","","has coordinates","268607","2021-09-06","09:39:22",""
"7128706","16.1228","0.0003","17.1683","0.0004","17.573","0.0006","96.746","0.002","116.027","0.002","94.642","0.002","4292.6","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C94 H111 K2 N5 O8 V -","- C84 H96 K2 N5 O8 V -","- C168 H192 K4 N10 O16 V2 -","2","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","1.54184","CuKα","","0.1055","0.0775","","","0.2142","0.2413","","","","","","0.986","","","","has coordinates","268607","2021-09-06","09:39:22",""
"7128707","16.6092","0.0006","17.7479","0.0006","22.6639","0.0007","78.203","0.003","88.731","0.003","83.903","0.003","6502.7","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C135 H191 K2 N5 O14 V2 -","- C129 H177 K2 N5 O14 V2 -","- C258 H354 K4 N10 O28 V4 -","2","1","","Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki","Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.","Chemical communications (Cambridge, England)","2021","57","67","8296","8299","10.1039/d1cc03463d","","x-ray","0.71073","MoKα","","0.156","0.0797","","","0.179","0.2236","","","","","","0.976","","","","has coordinates","268607","2021-09-06","09:39:22",""
"7128708","25.2644","0.001","17.794","0.0008","15.8935","0.0007","90","","112.986","0.001","90","","6577.7","0.5","151","","151","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 F12 N6 O15 P2 -","- C60 H72 F12 N6 O15 P2 -","- C240 H288 F48 N24 O60 P8 -","4","0.5","","Chang, Jin-Ping; Sun, Li-Ying; Zhang, Zi-En; An, Yuan-Yuan; Zhang, Le; Yu, Jian-Gang; Han, Ying-Feng","A metal-carbene template approach enables efficient synthesis of a functionalized cage-annulated crown ether.","Chemical communications (Cambridge, England)","2021","57","69","8584","8587","10.1039/d1cc03416b","","","0.71073","MoKα","","0.0779","0.0512","","","0.13","0.1476","","","","","","1.043","","","","has coordinates,has disorder","268615","2021-09-06","09:49:12",""
"7128709","9.601","0.002","12.221","0.003","13.822","0.003","71.295","0.008","77.227","0.008","82.243","0.008","1494.5","0.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H37 Bi F3 O4 P S -","- C25 H37 Bi F3 O4 P S -","- C50 H74 Bi2 F6 O8 P2 S2 -","2","1","","Sharma, Deepti; Balasubramaniam, Selvakumar; Kumar, Sandeep; Jemmis, Eluvathingal D.; Venugopal, Ajay","Reversing Lewis acidity from bismuth to antimony.","Chemical communications (Cambridge, England)","2021","57","71","8889","8892","10.1039/d1cc03038h","","","0.71073","MoKα","","0.0604","0.0371","","","0.0737","0.0827","","","","","","1.029","","","","has coordinates,has disorder","269653","2021-10-06","13:59:27",""
"7128710","10.277","0.004","15.806","0.006","19.121","0.007","90","","96.915","0.013","90","","3083","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H37 F3 O4 P S Sb -","- C25 H37 F3 O4 P S Sb -","- C100 H148 F12 O16 P4 S4 Sb4 -","4","1","","Sharma, Deepti; Balasubramaniam, Selvakumar; Kumar, Sandeep; Jemmis, Eluvathingal D.; Venugopal, Ajay","Reversing Lewis acidity from bismuth to antimony.","Chemical communications (Cambridge, England)","2021","57","71","8889","8892","10.1039/d1cc03038h","","","0.71073","MoKα","","0.1032","0.0551","","","0.1094","0.1316","","","","","","1.015","","","","has coordinates,has disorder","269653","2021-10-06","13:59:28",""
"7128711","7.2653","0.0019","16.097","0.004","17.027","0.005","85.443","0.008","89.167","0.009","84.022","0.008","1974.2","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 O3 S Sb -","- C19 H22 F3 O3 S Sb -","- C76 H88 F12 O12 S4 Sb4 -","4","2","","Sharma, Deepti; Balasubramaniam, Selvakumar; Kumar, Sandeep; Jemmis, Eluvathingal D.; Venugopal, Ajay","Reversing Lewis acidity from bismuth to antimony.","Chemical communications (Cambridge, England)","2021","57","71","8889","8892","10.1039/d1cc03038h","","","0.71073","MoKα","","0.0844","0.0642","","","0.1384","0.1481","","","","","","1.112","","","","has coordinates,has disorder","269653","2021-10-06","13:59:28",""
"7128712","10.8544","0.0001","13.903","0.0002","16.2102","0.0002","86.3726","0.0007","72.2389","0.0008","86.3793","0.0007","2322.52","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 Cl4 N8 Ni4 O10 -","- C38 H52 Cl4 N8 Ni4 O10 -","- C76 H104 Cl8 N16 Ni8 O20 -","2","1","","García-Álvarez, Ana C; Gamboa-Ramírez, Stefani; Martínez-Otero, Diego; Orio, Maylis; Castillo, Ivan","Self-assembled nickel cubanes as oxygen evolution catalysts.","Chemical communications (Cambridge, England)","2021","57","69","8608","8611","10.1039/d1cc03227e","","","1.54178","CuKα","","0.0442","0.0341","","","0.0812","0.0866","","","","","","1.043","","","","has coordinates,has disorder","268611","2021-09-06","09:44:16",""
"7128713","15.1023","0.0006","15.5842","0.0006","17.1586","0.0007","93.357","0.003","108.671","0.002","94.518","0.003","3798.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H55.74 Cl26 N8 Ni4 O8.37 -","- C46.998 H55.738 Cl25.996 N8 Ni4 O8.37 -","- C93.996 H111.476 Cl51.992 N16 Ni8 O16.74 -","2","1","","García-Álvarez, Ana C; Gamboa-Ramírez, Stefani; Martínez-Otero, Diego; Orio, Maylis; Castillo, Ivan","Self-assembled nickel cubanes as oxygen evolution catalysts.","Chemical communications (Cambridge, England)","2021","57","69","8608","8611","10.1039/d1cc03227e","","","1.54178","CuKα","","0.1009","0.0846","","","0.2322","0.25","","","","","","1.047","","","","has coordinates,has disorder","268611","2021-09-06","09:44:17",""
"7128714","5.48306","0.00015","15.3486","0.0004","17.9094","0.0005","79.089","0.002","84.67","0.002","88.069","0.002","1473.36","0.07","113","","113","","","","","","","","","6","P -1","-P 1","2","BrPQ-1","4,4',4'',4'''-(5,10-dibromopyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid","","- C62 H36.28 Br1.72 Cl8 N4 O8 -","- C38 H20.28 Br1.72 N4 O8 -","- C38 H20.28 Br1.72 N4 O8 -","1","0.5","","Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quasi single-crystalline transformation of porous frameworks accompanied by interlayer rearrangements of hydrogen bonds.","Chemical communications (Cambridge, England)","2021","57","69","8568","8571","10.1039/d1cc03287a","","","0.71073","MoKα","","0.0338","0.0305","","","0.0919","0.0933","","","","","","1.071","","","","has coordinates,has disorder","268608","2021-09-06","09:40:46",""
"7128715","5.584","0.002","12.305","0.003","15.827","0.005","103.84","0.02","93.62","0.03","91.13","0.03","1053.1","0.6","113","","113","","","","","","","","","5","P -1","-P 1","2","BrPQ-3a","4,4',4'',4'''-(5,10-dibromopyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid","","- C38 H20.28 Br1.72 N4 O8 -","- C38 H20.28 Br1.72 N4 O8 -","- C38 H20.28 Br1.72 N4 O8 -","1","0.5","","Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quasi single-crystalline transformation of porous frameworks accompanied by interlayer rearrangements of hydrogen bonds.","Chemical communications (Cambridge, England)","2021","57","69","8568","8571","10.1039/d1cc03287a","","","0.71073","MoKα","","0.2465","0.1058","","","0.2453","0.3275","","","","","","0.915","","","","has coordinates,has disorder","268608","2021-09-06","09:40:46",""
"7128716","5.4836","0.0004","11.8374","0.0012","15.4284","0.0012","102.618","0.008","92.409","0.006","92.015","0.007","975.42","0.15","113","","113","","","","","","","","","5","P -1","-P 1","2","BrPQ-2a","4,4',4'',4'''-(5,10-dibromopyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid","","- C38 H20.28 Br1.72 N4 O8 -","- C38 H20.28 Br1.72 N4 O8 -","- C38 H20.28 Br1.72 N4 O8 -","1","0.5","","Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quasi single-crystalline transformation of porous frameworks accompanied by interlayer rearrangements of hydrogen bonds.","Chemical communications (Cambridge, England)","2021","57","69","8568","8571","10.1039/d1cc03287a","","","0.71073","MoKα","","0.1991","0.0796","","","0.176","0.2222","","","","","","0.953","","","","has coordinates,has disorder","268608","2021-09-06","09:40:46",""
"7128717","5.5503","0.0002","11.9493","0.0005","15.1638","0.0005","102.503","0.003","91.72","0.003","92.766","0.003","979.86","0.06","113","","113","","","","","","","","","6","P -1","-P 1","2","BrPQ-2","4,4',4'',4'''-(5,10-dibromopyrazino[2,3-g]quinoxaline-2,3,7,8-tetrayl)tetrabenzoic acid","","- C44 H24.28 Br1.72 Cl2 N4 O8 -","- C44 H24.28 Br1.72 Cl2 N4 O8 -","- C44 H24.28 Br1.72 Cl2 N4 O8 -","1","0.5","","Kubo, Haruka; Oketani, Ryusei; Hisaki, Ichiro","Quasi single-crystalline transformation of porous frameworks accompanied by interlayer rearrangements of hydrogen bonds.","Chemical communications (Cambridge, England)","2021","57","69","8568","8571","10.1039/d1cc03287a","","","0.71073","MoKα","","0.0668","0.0542","","","0.1507","0.1606","","","","","","1.081","","","","has coordinates,has disorder","268608","2021-09-06","09:40:46",""
"7128718","18.9817","0.0006","18.9817","0.0006","28.8986","0.0015","90","","90","","120","","9017.3","0.6","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Cr2 Dy6 Na6 Nb30 O148 -","- Cr2 Dy6 Na6 Nb30 O141 -","- Cr4 Dy12 Na12 Nb60 O282 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0419","0.0343","","","0.1018","0.1078","","","","","","0.857","","","","has coordinates","268613","2021-09-06","09:46:20",""
"7128719","19.0042","0.0007","19.0042","0.0007","28.9507","0.0017","90","","90","","120","","9055","0.7","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Dy6 Mn2 Na6 Nb30 O148 -","- Dy6 Mn2 Na6 Nb30 O141 -","- Dy12 Mn4 Na12 Nb60 O282 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0366","0.0305","","","0.0775","0.0811","","","","","","0.824","","","","has coordinates","268613","2021-09-06","09:46:27",""
"7128720","18.9931","0.0003","18.9931","0.0003","29.0291","0.0007","90","","90","","120","","9068.9","0.3","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Dy6 Fe2 Na6 Nb30 O151 -","- Dy6 Fe2 Na6 Nb30 O139 -","- Dy12 Fe4 Na12 Nb60 O278 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0456","0.0361","","","0.109","0.1128","","","","","","1.076","","","","has coordinates","268613","2021-09-06","09:46:38",""
"7128721","19.0037","0.0003","19.0037","0.0003","28.6076","0.0011","90","","90","","120","","8947.2","0.4","175","","175","","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- Co2 Dy6 Na6 Nb30 O141 -","- Co2 Dy6 Na6 Nb30 O141 -","- Co4 Dy12 Na12 Nb60 O282 -","2","0.166667","","Lin, Yu-Diao; Ge, Rui; Tian, Chong-Bin; Sun, Cai; Sun, Yan-Qiong; Zeng, Qing-Xin; Li, Xin-Xiong; Zheng, Shou-Tian","3d-4f Heterometallic cluster incorporated polyoxoniobates with magnetic properties.","Chemical communications (Cambridge, England)","2021","57","69","8624","8627","10.1039/d1cc03262c","","","0.71073","MoKα","","0.0392","0.0331","","","0.0744","0.0768","","","","","","1.012","","","","has coordinates","268613","2021-09-06","09:46:38",""
"7128722","8.9234","0.0007","21.4147","0.0019","12.0958","0.001","90","","98.627","0.007","90","","2285.3","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 O2 S -","- C30 H22 O2 S -","- C120 H88 O8 S4 -","4","1","","Shibata, Takanori; Sekine, Ayato; Akino, Mika; Ito, Mamoru","Ni-catalyzed non-activated C-S bond cleavage at ambient temperature for the synthesis of sulfur-containing polycyclic compounds.","Chemical communications (Cambridge, England)","2021","57","72","9048","9051","10.1039/d1cc03226g","","","0.71075","MoKα","","0.0967","0.0673","","","0.1992","0.2208","","","","","","1.135","","","","has coordinates","269664","2021-10-06","14:03:05",""
"7128723","10.93","0.0002","13.8562","0.0003","26.031","0.0005","90","","100.882","0.007","90","","3871.46","0.16","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 S2 -","- C44 H36 S2 -","- C176 H144 S8 -","4","1","","Shibata, Takanori; Sekine, Ayato; Akino, Mika; Ito, Mamoru","Ni-catalyzed non-activated C-S bond cleavage at ambient temperature for the synthesis of sulfur-containing polycyclic compounds.","Chemical communications (Cambridge, England)","2021","57","72","9048","9051","10.1039/d1cc03226g","","","1.54187","CuKα","","0.1098","0.0941","","","0.2896","0.3046","","","","","","1.123","","","","has coordinates","269664","2021-10-06","14:03:09",""
"7128724","7.5599","0.0003","15.0534","0.0006","17.4891","0.0007","105.364","0.007","95.79","0.007","99.56","0.007","1870.42","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H38 O2 S2 -","- C50 H38 O2 S2 -","- C100 H76 O4 S4 -","2","1","","Shibata, Takanori; Sekine, Ayato; Akino, Mika; Ito, Mamoru","Ni-catalyzed non-activated C-S bond cleavage at ambient temperature for the synthesis of sulfur-containing polycyclic compounds.","Chemical communications (Cambridge, England)","2021","57","72","9048","9051","10.1039/d1cc03226g","","","1.54187","CuKα","","0.2115","0.126","","","0.205","0.2387","","","","","","1.01","","","","has coordinates","269664","2021-10-06","14:03:22",""
"7128725","29.023","0.017","6.531","0.004","23.003","0.013","90","","117.121","0.006","90","","3881","4","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Ag1.25 Cu0.75 S2 -","- C20 H30 Ag1.248 Cu0.752 S2 -","- C160 H240 Ag9.984 Cu6.016 S16 -","8","1","","Ke, Feng; Zhou, Chuanjun; Zheng, Mengke; Li, Hao; Bao, Junjie; Zhu, Chen; Song, Yongbo; Xu, Wen Wu; Zhu, Manzhou","The alloying-induced electrical conductivity of metal-chalcogenolate nanowires.","Chemical communications (Cambridge, England)","2021","57","70","8774","8777","10.1039/d1cc01849c","","","0.71073","MoKα","","0.0752","0.0434","","","0.1073","0.1206","","","","","","1.048","","","","has coordinates,has disorder","268505","2021-09-06","09:02:31",""
"7128726","11.6181","0.0002","14.4247","0.0003","31.3601","0.0008","90","","92.474","0.001","90","","5250.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H50 Cl2 F3 Ir O9 P2 S -","- C55 H50 Cl2 F3 Ir O9 P2 S -","- C220 H200 Cl8 F12 Ir4 O36 P8 S4 -","4","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","","0.71073","MoKα","","0.0508","0.0337","","","0.0621","0.0691","","","","","","1.04","","","","has coordinates","268558","2021-09-06","09:17:33",""
"7128727","11.7694","0.0005","14.4795","0.0006","17.2788","0.0007","99.712","0.002","91.494","0.002","95.634","0.002","2885.6","0.2","100","2","100","","","","","","","","","8","P -1","-P 1","2","","","","- C66 H57 F3 Ir N O8 P2 S -","- C66 H57 F3 Ir N O8 P2 S -","- C132 H114 F6 Ir2 N2 O16 P4 S2 -","2","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","","1.54178","CuKα","","0.0475","0.047","","","0.1233","0.1238","","","","","","1.093","","","","has coordinates","268558","2021-09-06","09:17:33",""
"7128728","11.8748","0.0009","15.7834","0.0011","16.8217","0.0011","66.142","0.003","82.914","0.003","83.728","0.003","2855.2","0.4","106","2","106","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H52 Cl2 F3 Ir O8 P2 S2 -","- C60 H52 Cl2 F3 Ir O8 P2 S2 -","- C120 H104 Cl4 F6 Ir2 O16 P4 S4 -","2","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","x-ray","1.54184","CuKα","","0.0299","0.0288","","","0.0735","0.0742","","","","","","1.031","","","","has coordinates","268558","2021-09-06","09:17:33",""
"7128729","12.2983","0.0006","21.2345","0.0011","23.5769","0.0013","90","","95.003","0.003","90","","6133.6","0.6","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H53 F3 Ir N O8 P2 S -","- C64 H53 F3 Ir N O8 P2 S -","- C256 H212 F12 Ir4 N4 O32 P8 S4 -","4","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","","1.54178","CuKα","","0.0641","0.0525","","","0.1468","0.1537","","","","","","1.079","","","","has coordinates,has disorder","268558","2021-09-06","09:17:33",""
"7128730","12.2728","0.0002","12.9648","0.0002","19.7289","0.0003","92.928","0.001","96.042","0.001","109.139","0.001","2936.9","0.08","529","2","529","","","","","","","","","10","P -1","-P 1","2","","","","- C61 H50 Br Cl2 F3 Ir N O8 P2 S -","- C61 H50 Br Cl2 F3 Ir N O8 P2 S -","- C122 H100 Br2 Cl4 F6 Ir2 N2 O16 P4 S2 -","2","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","","1.54178","CuKα","","0.0387","0.0357","","","0.0887","0.0901","","","","","","1.084","","","","has coordinates","268558","2021-09-06","09:17:33",""
"7128731","13.3075","0.0004","14.237","0.0005","14.8738","0.0005","87.574","0.001","78.577","0.001","86.178","0.001","2754.79","0.16","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C61 H51 Cl2 F3 Ir N O9 P2 S -","- C61 H51 Cl2 F3 Ir N O8 P2 S -","- C122 H102 Cl4 F6 Ir2 N2 O16 P4 S2 -","2","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","","0.71073","MoKα","","0.0647","0.051","","","0.1258","0.1387","","","","","","1.051","","","","has coordinates,has disorder","268558","2021-09-06","09:17:33",""
"7128732","10.7506","0.0002","22.5712","0.0005","23.8255","0.0005","87.625","0.001","77.286","0.001","81.93","0.001","5583.4","0.2","100","2","100","","","","","","","","","9","P -1","-P 1","2","","","","- C123 H100 Cl2 F6 Ir2 N2 O18 P4 S2 -","- C123 H100 Cl2 F6 Ir2 N2 O18 P4 S2 -","- C246 H200 Cl4 F12 Ir4 N4 O36 P8 S4 -","2","1","","Li, Jinhua; Lu, Zhengyu; Hua, Yuhui; Chen, Dafa; Xia, Haiping","Carbolong chemistry: nucleophilic aromatic substitution of a triflate functionalized iridapentalene.","Chemical communications (Cambridge, England)","2021","57","68","8464","8467","10.1039/d1cc03261e","","","1.54178","CuKα","","0.0494","0.0476","","","0.1117","0.1124","","","","","","1.167","","","","has coordinates","268558","2021-09-06","09:17:33",""
"7128733","27.825","0.004","27.825","0.004","44.321","0.008","90","","90","","120","","29717","8","100","","100","","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C258 H192 B8 F32 N24 O26 P4 Zn4 -","- C258.15 H192.3 B8 F32 N24 O26.05 P4 Zn4 -","- C1032.6 H769.2 B32 F128 N96 O104.2 P16 Zn16 -","4","0.333333","","Yamamura, Masaki; Saito, Tsuyoshi; Hasegawa, Toru; Nishibori, Eiji; Nabeshima, Tatsuya","Synthesis of a chiral metallo-capsule composed of concave molecules and chirogenesis upon fullerene binding.","Chemical communications (Cambridge, England)","2021","57","70","8754","8757","10.1039/d1cc02341a","","","0.8","","","0.1575","0.1393","","","0.3866","0.4107","","","","","","1.471","","","","has coordinates","268502","2021-09-06","09:00:01",""
"7128734","9.2828","0.001","12.509","0.0014","12.9773","0.0014","118.226","0.001","96.392","0.001","94.616","0.001","1304.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 B N7 -","- C30 H28 B N7 -","- C60 H56 B2 N14 -","2","1","","Patrick, Evan A.; Yang, Yan; Piers, Warren E.; Maron, Laurent; Gelfand, Benjamin S.","A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds.","Chemical communications (Cambridge, England)","2021","57","69","8640","8643","10.1039/d1cc03481b","","","0.71073","MoKα","","0.0602","0.0439","","","0.1032","0.1146","","","","","","1.019","","","","has coordinates","268612","2021-09-06","09:44:44",""
"7128735","8.397","0.0018","10.808","0.002","24.445","0.005","93.476","0.006","95.859","0.007","91.758","0.006","2201.3","0.8","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H56 B N7 P Sc -","- C47 H56 B N7 P Sc -","- C94 H112 B2 N14 P2 Sc2 -","2","1","","Patrick, Evan A.; Yang, Yan; Piers, Warren E.; Maron, Laurent; Gelfand, Benjamin S.","A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds.","Chemical communications (Cambridge, England)","2021","57","69","8640","8643","10.1039/d1cc03481b","","x-ray","1.54178","CuKα","","0.0375","0.0359","","","0.0949","0.0962","","","","","","1.046","","","","has coordinates,has disorder","268612","2021-09-06","09:44:46",""
"7128736","17.942","0.0013","20.4968","0.0017","26.1685","0.0019","90","","93.504","0.005","90","","9605.6","1.3","273","2","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B N8 Sc -","- C42 H44 B N8 Sc -","- C336 H352 B8 N64 Sc8 -","8","1","","Patrick, Evan A.; Yang, Yan; Piers, Warren E.; Maron, Laurent; Gelfand, Benjamin S.","A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds.","Chemical communications (Cambridge, England)","2021","57","69","8640","8643","10.1039/d1cc03481b","","","1.54178","CuKα","","0.0884","0.0639","","","0.1815","0.1954","","","","","","1.054","","","","has coordinates","268612","2021-09-06","09:44:46",""
"7128737","8.7025","0.0003","12.7011","0.0004","21.2188","0.001","90.965","0.003","91.117","0.003","101.418","0.002","2297.98","0.15","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H50 B N7 O4 P Sc -","- C50 H50 B N7 O4 P Sc -","- C100 H100 B2 N14 O8 P2 Sc2 -","2","1","","Patrick, Evan A.; Yang, Yan; Piers, Warren E.; Maron, Laurent; Gelfand, Benjamin S.","A monoanionic pentadentate ligand platform for scandium-pnictogen multiple bonds.","Chemical communications (Cambridge, England)","2021","57","69","8640","8643","10.1039/d1cc03481b","","x-ray","1.54178","CuKα","","0.0652","0.0528","","","0.1284","0.1355","","","","","","1.058","","","","has coordinates,has disorder","268612","2021-09-06","09:44:46",""
"7128738","7.7589","0.0012","9.054","0.002","37.137","0.007","90","","94.835","0.006","90","","2599.6","0.9","140","2","140","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 N3 O2 S -","- C29 H33 N3 O2 S -","- C116 H132 N12 O8 S4 -","4","1","","Zhang, Jun; Wang, Mengmeng; Wang, Huiying; Xu, Hui; Chen, Junjie; Guo, Ziqiong; Ma, Biao; Ban, Shu-Rong; Dai, Hui-Xiong","Construction of 2-alkynyl aza-spiro[4,5]indole scaffolds via sequential C-H activations for modular click chemistry libraries.","Chemical communications (Cambridge, England)","2021","57","69","8656","8659","10.1039/d1cc02798k","","","0.71073","MoKα","","0.1223","0.095","","","0.2583","0.2882","","","","","","1.039","","","","has coordinates","268616","2021-09-06","09:52:27",""
"7128739","4.768","0.002","18.775","0.009","31.234","0.015","90","","90","","90","","2796","2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Eupomatenoid-6","(E)-4-[3-methyl-5-(prop-1-en-1-yl)benzofuran-2-yl]phenol","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","1","","Fujita, Takeshi; Morioka, Ryutaro; Fukuda, Takuya; Suzuki, Naoto; Ichikawa, Junji","Acid-mediated intermolecular C-F/C-H cross-coupling of 2-fluorobenzofurans with arenes: synthesis of 2-arylbenzofurans.","Chemical communications (Cambridge, England)","2021","57","68","8500","8503","10.1039/d1cc03453g","","","0.71073","MoKα","","0.1546","0.0884","","","0.1791","0.204","","","","","","1.079","","","","has coordinates","268565","2021-09-06","09:29:31",""
"7128740","9.5627","0.0012","9.869","0.0013","12.5518","0.0016","99.428","0.002","91.22","0.002","90.737","0.002","1168.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 N O4 S -","- C28 H25 N O4 S -","- C56 H50 N2 O8 S2 -","2","1","","Liu, Dan; Shi, Bin; Jiang, Hao; Cheng, Ying; Xiao, Wen-Jing; Lu, Liang-Qiu","Synthesis of hydroindoles via desymmetric [3+2] cycloadditions of para-quinamines with photogenerated ketenes.","Chemical communications (Cambridge, England)","2021","57","68","8496","8499","10.1039/d1cc03352b","","","0.71073","MoKα","","0.0728","0.0471","","","0.1229","0.1575","","","","","","1.063","","","","has coordinates","268563","2021-09-06","09:29:00",""
"7128741","7.6078","0.00015","9.1979","0.0002","13.39653","0.00018","90","","90","","90","","937.43","0.03","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Miyazawa, Takeshi; Fitzgerald, Brendan J.; Keatinge-Clay, Adrian T","Preparative production of an enantiomeric pair by engineered polyketide synthases.","Chemical communications (Cambridge, England)","2021","57","70","8762","8765","10.1039/d1cc03073f","","x-ray","1.54184","CuKα","","0.0281","0.0277","","","0.0732","0.0738","","","","","","1.127","","","","has coordinates","268501","2021-09-06","08:59:34",""
"7128742","7.608","0.0002","9.2035","0.0003","13.3936","0.0003","90","","90","","90","","937.82","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Miyazawa, Takeshi; Fitzgerald, Brendan J.; Keatinge-Clay, Adrian T","Preparative production of an enantiomeric pair by engineered polyketide synthases.","Chemical communications (Cambridge, England)","2021","57","70","8762","8765","10.1039/d1cc03073f","","x-ray","1.54184","CuKα","","0.0307","0.03","","","0.0789","0.0797","","","","","","1.112","","","","has coordinates","268501","2021-09-06","08:59:44",""
"7128743","12.1982","0.0016","8.3863","0.0011","17.209","0.002","90","","107.749","0.005","90","","1676.6","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 S -","- C22 H16 N2 S -","- C88 H64 N8 S4 -","4","1","","Chen, Song; Li, Ya-Nan; Xiang, Shao-Hua; Li, Shaoyu; Tan, Bin","Electrochemical phenothiazination of naphthylamines and its application in photocatalysis.","Chemical communications (Cambridge, England)","2021","57","68","8512","8515","10.1039/d1cc03276c","","x-ray","1.54178","CuKα","","0.0359","0.0353","","","0.0973","0.0978","","","","","","1.065","","","","has coordinates","268566","2021-09-06","09:29:39",""
"7128744","13.9618","0.0005","8.6489","0.0003","26.7485","0.001","90","","90","","90","","3230","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 N2 S -","- C22 H16 N2 S -","- C176 H128 N16 S8 -","8","2","","Chen, Song; Li, Ya-Nan; Xiang, Shao-Hua; Li, Shaoyu; Tan, Bin","Electrochemical phenothiazination of naphthylamines and its application in photocatalysis.","Chemical communications (Cambridge, England)","2021","57","68","8512","8515","10.1039/d1cc03276c","","x-ray","0.71073","MoKα","","0.0479","0.0424","","","0.1069","0.1111","","","","","","1.036","","","","has coordinates","268566","2021-09-06","09:29:39",""
"7128745","8.34646","0.00016","28.3786","0.0005","8.67019","0.00014","90","","94.7923","0.0018","90","","2046.45","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C88 H76 N4 O12 -","4","1","","Han, Tian-Jiao; Wang, Min-Can; Mei, Guang-Jian","2-Indolymethanols as 4-atom-synthons in oxa-Michael reaction cascade: access to tetracyclic indoles.","Chemical communications (Cambridge, England)","2021","57","71","8921","8924","10.1039/d1cc03653j","","x-ray","1.54184","CuKα","","0.0625","0.0493","","","0.1455","0.1591","","","","","","1.034","","","","has coordinates","269657","2021-10-06","14:00:41",""
"7128746","8.1529","0.0006","30.7743","0.0011","8.7822","0.0004","90","","95.2","0.005","90","","2194.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C88 H72 Br4 N4 O12 -","4","1","","Han, Tian-Jiao; Wang, Min-Can; Mei, Guang-Jian","2-Indolymethanols as 4-atom-synthons in oxa-Michael reaction cascade: access to tetracyclic indoles.","Chemical communications (Cambridge, England)","2021","57","71","8921","8924","10.1039/d1cc03653j","","x-ray","1.54184","CuKα","","0.0755","0.0578","","","0.1529","0.1675","","","","","","1.038","","","","has coordinates,has disorder","269657","2021-10-06","14:00:44",""
"7128747","12.0027","0.0004","16.9978","0.0005","21.5539","0.0007","90","","90.59","0.001","90","","4397.2","0.2","100","","100","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C18 H40 Al F20 O4 P Si4 Te4 -","- C18 H40 Al F20 O4 P Si4 Te4 -","- C72 H160 Al4 F80 O16 P4 Si16 Te16 -","4","1","","Fischer, Lukas; Wossidlo, Friedrich; Frost, Daniel; Coles, Nathan T.; Steinhauer, Simon; Riedel, Sebastian; Müller, Christian","One-step methylation of aromatic phosphorus heterocycles: synthesis and crystallographic characterization of a 1-methyl-phosphininium salt.","Chemical communications (Cambridge, England)","2021","57","75","9522","9525","10.1039/d1cc03892c","","","0.71073","MoKα","","0.018","0.0174","","","0.0416","0.0421","","","","","","1.048","","","","has coordinates","269644","2021-10-06","13:56:52",""
"7128748","11.0213","0.0005","11.8221","0.0005","18.3959","0.0007","90","","90","","90","","2396.89","0.17","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H37 P Si4 -","- C17 H37 P Si4 -","- C68 H148 P4 Si16 -","4","0.5","","Fischer, Lukas; Wossidlo, Friedrich; Frost, Daniel; Coles, Nathan T.; Steinhauer, Simon; Riedel, Sebastian; Müller, Christian","One-step methylation of aromatic phosphorus heterocycles: synthesis and crystallographic characterization of a 1-methyl-phosphininium salt.","Chemical communications (Cambridge, England)","2021","57","75","9522","9525","10.1039/d1cc03892c","","","0.71073","MoKα","","0.0375","0.0326","","","0.0808","0.0849","","","","","","1.245","","","","has coordinates,has disorder","269644","2021-10-06","13:56:56",""
"7128749","12.1589","0.0009","12.2886","0.0009","13.5265","0.001","81.017","0.007","89.628","0.008","71.449","0.006","1890.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-12-tosyl-12,13-dihydro-11H-dibenzo[c,h][1,2,6]triazonine","","- C21 H19 N3 O2 S -","- C21 H19 N3 O2 S -","- C84 H76 N12 O8 S4 -","4","2","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0459","0.0408","","","0.118","0.1217","","","","","","1.064","","","","has coordinates","269603","2021-10-06","13:41:51",""
"7128750","13.7733","0.0004","10.3424","0.0003","12.3133","0.0004","90","","91.874","0.003","90","","1753.08","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl(E)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0587","0.053","","","0.1384","0.1444","","","","","","1.072","","","","has coordinates,has disorder","269603","2021-10-06","13:41:52",""
"7128751","5.0393","0.0003","11.5613","0.0006","26.3881","0.0015","90","","90","","90","","1537.39","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'ethyl (E)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate'","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0498","0.0384","","","0.0931","0.0985","","","","","","1.058","","","","has coordinates","269603","2021-10-06","13:41:52",""
"7128752","12.2994","0.0004","9.158","0.0003","26.4451","0.001","90","","90","","90","","2978.72","0.18","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'ethyl (Z)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate'","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C136 H136 N24 O16 -","8","1","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0435","0.0397","","","0.1035","0.106","","","","","","1.022","","","","has coordinates","269603","2021-10-06","13:41:52",""
"7128753","9.4527","0.0002","11.1113","0.0003","17.2833","0.0005","72.18","0.002","86.927","0.002","81.304","0.002","1708.28","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","'tert-butyl(Z)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate'","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","2","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0569","0.0448","","","0.1149","0.1217","","","","","","1.047","","","","has coordinates","269603","2021-10-06","13:41:52",""
"7128754","8.7639","0.0002","14.1232","0.0003","14.1951","0.0004","116.403","0.002","90.929","0.002","104.547","0.002","1506.6","0.07","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C31 H44 Cl2 O Si Ti -","- C31 H44 Cl2 O Si Ti -","- C62 H88 Cl4 O2 Si2 Ti2 -","2","1","","Collins Rice, Clement G.; Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Supported permethylindenyl titanium catalysts for the synthesis of disentangled ultra-high molecular weight polyethylene (disUHMWPE).","Chemical communications (Cambridge, England)","2021","57","69","8600","8603","10.1039/d1cc03418a","","x-ray","1.54184","CuKα","","0.0468","0.0428","","","0.1161","0.1221","","","","","","1.037","","","","has coordinates","268609","2021-09-06","09:42:45",""
"7128755","14.8873","0.0003","14.8873","0.0003","13.6624","0.0004","90","","90","","90","","3028.02","0.12","223","100","223","100","","","","","","","","6","P 41","P 4w","76","","","","- C33 H23 F3 N2 O3 S -","- C33 H23 F3 N2 O3 S -","- C132 H92 F12 N8 O12 S4 -","4","1","","Yan, Ru-Jie; Liu, Bao-Xin; Hu, Yuan; Du, Wei; Chen, Ying-Chun","Generation of zwitterionic trifluoromethyl <i>N</i>-allylic ylides and their use in switchable divergent annulations.","Chemical communications (Cambridge, England)","2021","57","72","9056","9059","10.1039/d1cc03830c","","x-ray","1.54184","CuKα","","0.0798","0.0789","","","0.1983","0.2009","","","","","","1.055","","","","has coordinates","269663","2021-10-06","14:02:47",""
"7128756","11.71838","0.00015","13.40753","0.00016","18.3196","0.0002","90","","90","","90","","2878.28","0.06","204","6","204","6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 F3 N2 O2 S2 -","- C33 H23 F3 N2 O2 S2 -","- C132 H92 F12 N8 O8 S8 -","4","1","","Yan, Ru-Jie; Liu, Bao-Xin; Hu, Yuan; Du, Wei; Chen, Ying-Chun","Generation of zwitterionic trifluoromethyl <i>N</i>-allylic ylides and their use in switchable divergent annulations.","Chemical communications (Cambridge, England)","2021","57","72","9056","9059","10.1039/d1cc03830c","","x-ray","1.54184","CuKα","","0.0512","0.0497","","","0.1267","0.1289","","","","","","1.057","","","","has coordinates","269663","2021-10-06","14:02:47",""
"7128757","8.6266","0.0007","18.4175","0.0016","19.2928","0.0017","90","","90","","90","","3065.2","0.5","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 F3 N3 O2 S3 -","- C34 H22 F3 N3 O2 S3 -","- C136 H88 F12 N12 O8 S12 -","4","1","","Yan, Ru-Jie; Liu, Bao-Xin; Hu, Yuan; Du, Wei; Chen, Ying-Chun","Generation of zwitterionic trifluoromethyl <i>N</i>-allylic ylides and their use in switchable divergent annulations.","Chemical communications (Cambridge, England)","2021","57","72","9056","9059","10.1039/d1cc03830c","","","0.71073","MoKα","","0.1304","0.0571","","","0.1181","0.1485","","","","","","1.006","","","","has coordinates","269663","2021-10-06","14:02:47",""
"7128758","11.683","0.0001","11.683","0.0001","39.0801","0.0003","90","","90","","90","","5334.14","0.08","301","0.1","301","0.1","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C28 H29 I N2 O6 -","- C28 H29 I N2 O6 -","- C224 H232 I8 N16 O48 -","8","1","","Shi, Wei-Yu; Ding, Ya-Nan; Zheng, Nian; Gou, Xue-Ya; Zhang, Zhe; Chen, Xi; Luan, Yu-Yong; Niu, Zhi-Jie; Liang, Yong-Min","Highly regioselective and stereoselective synthesis of C-Aryl glycosides <i>via</i> nickel-catalyzed <i>ortho</i>-C-H glycosylation of 8-aminoquinoline benzamides.","Chemical communications (Cambridge, England)","2021","57","71","8945","8948","10.1039/d1cc03589d","","x-ray","1.54184","CuKα","","0.0273","0.0248","","","0.0616","0.0627","","","","","","1.047","","","","has coordinates","269655","2021-10-06","14:00:06",""
"7128759","15.1578","0.0005","15.1578","0.0005","31.4738","0.0012","90","","90","","120","","6262.6","0.4","120","0.2","120","0.2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H97 Cl8 Fe15 N8 O39 -","- C48 H97.0002 Cl8 Fe15 N8 O39.0002 -","- C144 H291.001 Cl24 Fe45 N24 O117.001 -","3","0.166667","","Cutler, Daniel J.; Singh, Mukesh K.; Nichol, Gary S.; Evangelisti, Marco; Schnack, Jürgen; Cronin, Leroy; Brechin, Euan K.","[Fe<sub>15</sub>]: a frustrated, centred tetrakis hexahedron.","Chemical communications (Cambridge, England)","2021","57","71","8925","8928","10.1039/d1cc03919a","","x-ray","0.71073","MoKα","","0.0756","0.0646","","","0.1348","0.14","","","","","","1.134","","","","has coordinates,has disorder","269661","2021-10-06","14:01:55",""
"7128760","10.7867","0.0004","3.95279","0.00013","21.358","0.0007","90","","90.388","0.006","90","","910.63","0.05","103","","103","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","","Ardiansah, Bayu; Tanimoto, Hiroki; Tomohiro, Takenori; Morimoto, Tsumoru; Kakiuchi, Kiyomi","Sulfonium ion-promoted traceless Schmidt reaction of alkyl azides.","Chemical communications (Cambridge, England)","2021","57","70","8738","8741","10.1039/d1cc02770k","","","0.71075","MoKα","","0.0468","0.0431","","","0.118","0.1213","","","","","","1.09","","","","has coordinates","268506","2021-09-06","09:02:37",""
"7128761","9.0086","0.0007","8.6711","0.0005","21.5443","0.0016","90","","100.929","0.007","90","","1652.4","0.2","294.18","0.1","294.18","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O S -","- C21 H15 N O S -","- C84 H60 N4 O4 S4 -","4","1","","Ji, Meishan; Chang, Chenyang; Wu, Xinxin; Zhu, Chen","Photocatalytic intermolecular carboarylation of alkenes by selective C-O bond cleavage of diarylethers.","Chemical communications (Cambridge, England)","2021","57","73","9240","9243","10.1039/d1cc04038c","","","0.71073","MoKα","","0.1492","0.1216","","","0.3118","0.3322","","","","","","1.047","","","","has coordinates","269619","2021-10-06","13:48:13",""
"7128762","21.678","0.006","13.712","0.004","15.918","0.005","90","","90","","90","","4732","2","296.15","","296.15","","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C34 H28 Cl Mn2 N13 O8 S2 -","- C34 H28 Cl Mn2 N13 O8 S2 -","- C136 H112 Cl4 Mn8 N52 O32 S8 -","4","0.5","","Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian","A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.","Chemical communications (Cambridge, England)","2021","57","71","8937","8940","10.1039/d1cc03431f","","","0.71073","MoKα","","0.1537","0.1289","","","0.2663","0.2821","","","","","","1.066","","","","has coordinates,has disorder","269654","2021-10-06","13:59:43",""
"7128763","22.1875","0.0012","13.4774","0.0007","15.9045","0.0009","90","","90","","90","","4755.9","0.4","296.15","","296.15","","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C34 H30 Co2 N13 O9 S2 -","- C34 H30 Co2 N13 O9 S2 -","- C136 H120 Co8 N52 O36 S8 -","4","0.5","","Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian","A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.","Chemical communications (Cambridge, England)","2021","57","71","8937","8940","10.1039/d1cc03431f","","","0.71073","MoKα","","0.0886","0.0602","","","0.1626","0.1829","","","","","","1.033","","","","has coordinates,has disorder","269654","2021-10-06","13:59:47",""
"7128764","22.29","0.02","13.477","0.012","15.919","0.016","90","","90","","90","","4782","8","296.15","","296.15","","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C34 H30 Co Mn N13 O9 S2 -","- C34 H30 Co Mn N13 O9 S2 -","- C136 H120 Co4 Mn4 N52 O36 S8 -","4","0.5","","Dong, Long-Zhang; Zhang, Yu; Lu, Yun-Feng; Zhang, Lei; Huang, Xin; Wang, Jian-Hui; Liu, Jiang; Li, Shun-Li; Lan, Ya-Qian","A well-defined dual Mn-site based metal-organic framework to promote CO<sub>2</sub> reduction/evolution in Li-CO<sub>2</sub> batteries.","Chemical communications (Cambridge, England)","2021","57","71","8937","8940","10.1039/d1cc03431f","","","0.71073","MoKα","","0.1198","0.0778","","","0.2087","0.248","","","","","","1.015","","","","has coordinates,has disorder","269654","2021-10-06","13:59:58",""
"7128765","14.391","0.0013","8.897","0.0008","36.446","0.003","90","","93.241","0.003","90","","4659","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H10 Cl8 N2 O4 Si -","- C19 H10 Cl8 N2 O4 Si -","- C152 H80 Cl64 N16 O32 Si8 -","8","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0564","0.0478","","","0.1161","0.122","","","","","","1.152","","","","has coordinates","268496","2021-09-06","08:53:18",""
"7128766","11.9675","0.0009","12.4047","0.001","16.8129","0.0013","94.06","0.003","106.632","0.003","117.844","0.003","2052.1","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H25 Cl10 O5 P Si -","- C39 H25 Cl10 O5 P Si -","- C78 H50 Cl20 O10 P2 Si2 -","2","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.039","0.0331","","","0.0803","0.0843","","","","","","1.043","","","","has coordinates,has disorder","268496","2021-09-06","08:53:19",""
"7128767","12.6888","0.001","17.8472","0.0012","20.3151","0.0017","90","","90.872","0.003","90","","4600","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cl12 N O5 P Si -","- C40 H28 Cl12 N O5 P Si -","- C160 H112 Cl48 N4 O20 P4 Si4 -","4","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0529","0.0361","","","0.0791","0.0879","","","","","","1.031","","","","has coordinates,has disorder","268496","2021-09-06","08:53:19",""
"7128768","15.162","0.002","16.186","0.002","18.463","0.003","109.982","0.005","90.192","0.005","107.734","0.006","4026.6","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H21 Cl9 N O5 P Si -","- C36.5 H21 Cl9 N O5 P Si -","- C146 H84 Cl36 N4 O20 P4 Si4 -","4","2","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.1742","0.0827","","","0.2036","0.2379","","","","","","1.045","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128769","12.5198","0.0017","12.5964","0.0018","12.8616","0.0017","63.404","0.005","83.62","0.005","86.982","0.005","1802.5","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H14 Cl8 N O4 P Si -","- C29 H14 Cl8 N O4 P Si -","- C58 H28 Cl16 N2 O8 P2 Si2 -","2","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0976","0.0535","","","0.1175","0.1364","","","","","","1.001","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128770","16.942","0.003","12.536","0.003","15.917","0.003","90","","112.19","0.03","90","","3130.2","1.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl12 N2 O4 Si -","- C22 H16 Cl12 N2 O4 Si -","- C88 H64 Cl48 N8 O16 Si4 -","4","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.1155","0.056","","","0.1111","0.13","","","","","","1.026","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128771","8.4949","0.0008","8.5627","0.0007","11.6916","0.0009","110.389","0.003","91.093","0.003","90.987","0.004","796.75","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl8 N6 O4 Si -","- C26 H26 Cl8 N6 O4 Si -","- C26 H26 Cl8 N6 O4 Si -","1","0.5","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0422","0.0362","","","0.0921","0.095","","","","","","1.065","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128772","11.1778","0.0008","11.9331","0.0009","17.3665","0.0012","83.309","0.003","88.887","0.002","67.403","0.003","2123.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H46 Cl22 N2 O14 P2 Si2 -","- C77 H46 Cl22 N2 O14 P2 Si2 -","- C77 H46 Cl22 N2 O14 P2 Si2 -","1","0.5","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0743","0.053","","","0.1134","0.1207","","","","","","1.055","","","","has coordinates,has disorder","268496","2021-09-06","08:53:19",""
"7128773","33.002","0.006","15.336","0.003","18.448","0.004","90","","119.585","0.007","90","","8120","3","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 Cl8 N O5 P Si -","- C37 H22 Cl8 N O5 P Si -","- C296 H176 Cl64 N8 O40 P8 Si8 -","8","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","","0.71073","MoKα","","0.0439","0.034","","","0.0856","0.0926","","","","","","1.026","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128774","14.3396","0.0013","9.8161","0.0011","18.6371","0.0017","90","","108.642","0.004","90","","2485.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Cl8 N2 O5 Si -","- C20 H12 Cl8 N2 O5 Si -","- C80 H48 Cl32 N8 O20 Si4 -","4","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.1017","0.0629","","","0.1553","0.1854","","","","","","1.018","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128775","15.5399","0.0011","16.4844","0.0012","17.4224","0.0011","90","","90","","90","","4463","0.5","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C39 H26 Cl12 N O5 P Si -","- C39 H26 Cl12 N O5 P Si -","- C156 H104 Cl48 N4 O20 P4 Si4 -","4","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0308","0.0269","","","0.0634","0.0654","","","","","","1.061","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128776","8.7056","0.0005","11.1906","0.0006","20.7094","0.001","77.511","0.002","89.089","0.002","75.072","0.002","1901.61","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl12 N O4 P Si -","- C32 H20 Cl12 N O4 P Si -","- C64 H40 Cl24 N2 O8 P2 Si2 -","2","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.0391","0.0312","","","0.0692","0.073","","","","","","1.028","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128777","13.35","0.02","14.77","0.04","16.46","0.03","86.32","0.07","78.14","0.03","82.12","0.07","3144","11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H25 Cl16 F N4 O9 Si2 -","- C45 H25 Cl16 F N4 O9 Si2 -","- C90 H50 Cl32 F2 N8 O18 Si4 -","2","1","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.1995","0.0858","","","0.1856","0.243","","","","","","0.939","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128778","23.136","0.004","12.559","0.002","24.311","0.004","90","","115.803","0.006","90","","6359.6","1.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 Cl8 N O4 P Si -","- C30 H16 Cl8 N O4 P Si -","- C240 H128 Cl64 N8 O32 P8 Si8 -","8","2","","Hartmann, Deborah; Braner, Sven; Greb, Lutz","Bis(perchlorocatecholato)silane and heteroleptic bidonors: hidden frustrated Lewis pairs resulting from ring strain.","Chemical communications (Cambridge, England)","2021","57","69","8572","8575","10.1039/d1cc03452a","","x-ray","0.71073","MoKα","","0.1255","0.0956","","","0.1757","0.1971","","","","","","1.079","","","","has coordinates","268496","2021-09-06","08:53:19",""
"7128779","23.1321","0.0005","13.8142","0.0003","23.2907","0.0006","90","","112.711","0.001","90","","6865.5","0.3","193","2","193","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C128 H170 Ag2 Au2 F24 O2 P2 Sb4 -","- C128 H170 Ag2 Au2 F24 O2 P2 Sb4 -","- C256 H340 Ag4 Au4 F48 O4 P4 Sb8 -","2","0.5","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.0569","0.046","","","0.1192","0.1261","","","","","","1.03","","","","has coordinates","269613","2021-10-06","13:46:35",""
"7128780","26.359","0.0007","20.0663","0.0006","26.8991","0.0007","90","","90","","90","","14227.7","0.7","193","2","193","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C121 H145 Ag4 Au2 Cl2 F24 P2 Sb4 -","- C121 H143 Ag4 Au2 Cl4 F24 P2 Sb4 -","- C484 H572 Ag16 Au8 Cl16 F96 P8 Sb16 -","4","1","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.074","0.0459","","","0.1094","0.1257","","","","","","1.033","","","","has coordinates,has disorder","269613","2021-10-06","13:46:36",""
"7128781","12.6896","0.0007","13.4566","0.0007","16.6155","0.0005","81.539","0.001","87.656","0.001","83.232","0.001","2786","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H75 Au Cl P -","- C60 H75 Au Cl P -","- C120 H150 Au2 Cl2 P2 -","2","1","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.0413","0.0316","","","0.0868","0.0932","","","","","","0.955","","","","has coordinates,has disorder","269613","2021-10-06","13:46:36",""
"7128782","13.5895","0.0009","16.7018","0.0012","18.5193","0.0013","112.837","0.003","102.452","0.002","94.349","0.003","3722.8","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H87 Ag Au F12 O P Sb2 -","- C66 H87 Ag Au F12 O P Sb2 -","- C132 H174 Ag2 Au2 F24 O2 P2 Sb4 -","2","1","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.0743","0.0509","","","0.1242","0.1388","","","","","","1.021","","","","has coordinates","269613","2021-10-06","13:46:36",""
"7128783","13.2698","0.0012","19.2125","0.0018","22.968","0.002","109.011","0.003","90.297","0.003","106.613","0.003","5273.8","0.8","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H90 Au B F24 N P -","- C94 H90 Au B F24 N P -","- C188 H180 Au2 B2 F48 N2 P2 -","2","1","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.0783","0.0512","","","0.1414","0.1596","","","","","","1.062","","","","has coordinates,has disorder","269613","2021-10-06","13:46:36",""
"7128784","13.6101","0.0003","51.1209","0.0011","18.3962","0.0004","90","","98.902","0.001","90","","12645.2","0.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H79 Au F6 P Sb -","- C62 H79 Au F6 P Sb -","- C496 H632 Au8 F48 P8 Sb8 -","8","2","","Navarro, Miquel; Miranda-Pizarro, Juan; Moreno, Juan J.; Navarro-Gilabert, Carlos; Fernández, Israel; Campos, Jesús","A dicoordinate gold(I)-ethylene complex.","Chemical communications (Cambridge, England)","2021","57","73","9280","9283","10.1039/d1cc02769g","","","0.71073","MoKα","","0.0554","0.0491","","","0.1215","0.1248","","","","","","1.113","","","","has coordinates","269613","2021-10-06","13:46:36",""
"7128785","10.5457","0.0003","10.9949","0.0003","14.6439","0.0004","98.025","0.003","95.841","0.002","115.1","0.003","1497.81","0.08","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 As B N7 O2 W -","- C30 H31 As B N7 O2 W -","- C60 H62 As2 B2 N14 O4 W2 -","2","1","","Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.","Heterocyclic arsinocarbynes via tandem transmetallation.","Chemical communications (Cambridge, England)","2021","57","70","8770","8773","10.1039/d1cc03015a","","x-ray","1.54184","CuKα","","0.0265","0.0261","","","0.0699","0.0703","","","","","","1.06","","","","has coordinates","268503","2021-09-06","09:00:38",""
"7128786","11.65","0.0003","6.7526","0.0002","14.8906","0.0004","90","","102.826","0.002","90","","1142.18","0.06","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 As N -","- C14 H10 As N -","- C56 H40 As4 N4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.","Heterocyclic arsinocarbynes via tandem transmetallation.","Chemical communications (Cambridge, England)","2021","57","70","8770","8773","10.1039/d1cc03015a","","x-ray","1.54184","CuKα","","0.032","0.0272","","","0.0661","0.0695","","","","","","1.066","","","","has coordinates","268503","2021-09-06","09:00:51",""
"7128787","41.967","0.008","10.063","0.002","28.004","0.006","90","","130.88","0.03","90","","8942","5","100","0.2","100","0.2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H49 As B N6 O2 W -","- C49 H49 As B N6 O2 W -","- C392 H392 As8 B8 N48 O16 W8 -","8","1","","Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.","Heterocyclic arsinocarbynes via tandem transmetallation.","Chemical communications (Cambridge, England)","2021","57","70","8770","8773","10.1039/d1cc03015a","","","0.710762","Synchrotron","","0.0794","0.0552","","","0.1397","0.1571","","","","","","0.994","","","","has coordinates","268503","2021-09-06","09:01:05",""
"7128788","19.0571","0.0002","6.0872","0.0001","20.2253","0.0002","90","","110.451","0.001","90","","2198.34","0.05","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H21 As -","- C30 H21 As -","- C120 H84 As4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.","Heterocyclic arsinocarbynes via tandem transmetallation.","Chemical communications (Cambridge, England)","2021","57","70","8770","8773","10.1039/d1cc03015a","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0873","0.0895","","","","","","1.024","","","","has coordinates","268503","2021-09-06","09:01:53",""
"7128789","18.1315","0.0007","21.8847","0.0008","25.2702","0.001","95.683","0.001","101.87","0.001","101.275","0.001","9521.7","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C153 H138 Cl15 Eu3 N12 O18 -","- C153 H138 Cl15 Eu3 N12 O18 -","- C306 H276 Cl30 Eu6 N24 O36 -","2","1","","Chang, Fei-Fan; Feng, Fan-da; Geng, Jiao; Huang, Wei","Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates.","Chemical communications (Cambridge, England)","2021","57","73","9220","9223","10.1039/d1cc03376j","","","0.71073","MoKα","","0.0891","0.0626","","","0.1698","0.1811","","","","","","1.107","","","","has coordinates","269605","2021-10-06","13:43:10",""
"7128790","18.1226","0.0011","30.5452","0.0019","30.1797","0.0018","90","","90.089","0.001","90","","16706.2","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C153 H136 Cl17 Dy3 N12 O18 -","- C153 H136 Cl17 Dy3 N12 O18 -","- C612 H544 Cl68 Dy12 N48 O72 -","4","0.5","","Chang, Fei-Fan; Feng, Fan-da; Geng, Jiao; Huang, Wei","Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates.","Chemical communications (Cambridge, England)","2021","57","73","9220","9223","10.1039/d1cc03376j","","","0.71073","MoKα","","0.1259","0.071","","","0.172","0.1943","","","","","","1.018","","","","has coordinates","269605","2021-10-06","13:43:11",""
"7128791","18.542","0.005","30.471","0.009","29.708","0.008","90","","90.151","0.007","90","","16785","8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C153 H136 Cl17 Er3 N12 O18 -","- C153 H136 Cl17 Er3 N12 O18 -","- C612 H544 Cl68 Er12 N48 O72 -","4","0.5","","Chang, Fei-Fan; Feng, Fan-da; Geng, Jiao; Huang, Wei","Self-assembly and luminescence of trinuclear lanthanide based supramolecular circular helicates.","Chemical communications (Cambridge, England)","2021","57","73","9220","9223","10.1039/d1cc03376j","","","0.71073","MoKα","","0.0831","0.06","","","0.1538","0.1637","","","","","","1.074","","","","has coordinates","269605","2021-10-06","13:43:11",""
"7128792","5.0867","0.0002","11.7982","0.0004","5.4598","0.0002","90","","111.983","0.005","90","","303.84","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Hoser, Anna A.; Sztylko, Marcin; Trzybiński, Damian; Madsen, Anders Ø","Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data.","Chemical communications (Cambridge, England)","2021","57","74","9370","9373","10.1039/d1cc02608a","","x-ray","0.71073","MoKα","","0.0386","0.0317","","","0.0779","0.0841","","","","","","1.078","","","","has coordinates","269652","2021-10-06","13:58:59",""
"7128793","5.0757","0.0002","6.1737","0.0002","5.3882","0.0002","90","","113.422","0.004","90","","154.931","0.011","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Hoser, Anna A.; Sztylko, Marcin; Trzybiński, Damian; Madsen, Anders Ø","Theoretically derived thermodynamic properties can be improved by the refinement of low-frequency modes against X-ray diffraction data.","Chemical communications (Cambridge, England)","2021","57","74","9370","9373","10.1039/d1cc02608a","","x-ray","0.71073","MoKα","","0.0233","0.0229","","","0.0638","0.0642","","","","","","1.1","","","","has coordinates","269652","2021-10-06","13:59:00",""
"7128794","16.0819","0.0006","25.9667","0.0008","17.0515","0.0006","90","","117.912","0.002","90","","6292.2","0.4","170","2","170","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C126 H113 N8 O12 -","- C126 H113 N8 O12 -","- C252 H226 N16 O24 -","2","1","","Ramakrishna, E.; Tang, Jia-Dong; Tao, Jia-Ju; Fang, Qiang; Zhang, Zibin; Huang, Jianying; Li, Shijun","Self-assembly of chiral BINOL cages <i>via</i> imine condensation.","Chemical communications (Cambridge, England)","2021","57","72","9088","9091","10.1039/d1cc01507a","","","1.54178","CuKα","","0.0657","0.0582","","","0.1648","0.1723","","","","","","1.037","","","","has coordinates,has disorder","269665","2021-10-06","14:03:46",""
"7128795","11.39679","0.00013","46.8821","0.0005","16.9513","0.0002","90","","94.0073","0.0011","90","","9035.03","0.18","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Dy(OAd*)2Cl2]","","- C96 H154 Cl2 Dy Na O11 -","- C96 H154 Cl2 Dy Na O11 -","- C384 H616 Cl8 Dy4 Na4 O44 -","4","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Whitehead, George F. S.; Mills, David P.; Winpenny, Richard E. P.","Slow magnetic relaxation in distorted tetrahedral Dy(III) aryloxide complexes.","Chemical communications (Cambridge, England)","2021","57","73","9208","9211","10.1039/d1cc02707g","","x-ray","1.54184","CuKα","","0.0578","0.0463","","","0.1267","0.1354","","","","","","1.046","","","","has coordinates,has disorder","269611","2021-10-06","13:45:13",""
"7128796","15.7711","0.0013","19.5922","0.0014","28.944","0.002","90","","92.064","0.008","90","","8937.6","1.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C86 H151 Cl Dy Na O11 -","- C86 H151 Cl Dy Na O11 -","- C344 H604 Cl4 Dy4 Na4 O44 -","4","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Whitehead, George F. S.; Mills, David P.; Winpenny, Richard E. P.","Slow magnetic relaxation in distorted tetrahedral Dy(III) aryloxide complexes.","Chemical communications (Cambridge, England)","2021","57","73","9208","9211","10.1039/d1cc02707g","","x-ray","1.54184","CuKα","","0.1088","0.0652","","","0.1471","0.1738","","","","","","1.027","","","","has coordinates,has disorder","269611","2021-10-06","13:45:14",""
"7128797","11.3031","0.0004","46.2765","0.0015","16.8926","0.0007","90","","94.26","0.004","90","","8811.6","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Y(OAr)2Cl2][Na(THF)6].3THF","","- C96 H154 Cl2 Na O11 Y -","- C96 H154 Cl2 Na O11 Y -","- C384 H616 Cl8 Na4 O44 Y4 -","4","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Whitehead, George F. S.; Mills, David P.; Winpenny, Richard E. P.","Slow magnetic relaxation in distorted tetrahedral Dy(III) aryloxide complexes.","Chemical communications (Cambridge, England)","2021","57","73","9208","9211","10.1039/d1cc02707g","","x-ray","0.71073","MoKα","","0.1349","0.0874","","","0.184","0.1998","","","","","","1.099","","","","has coordinates,has disorder","269611","2021-10-06","13:45:14",""
"7128798","15.72802","0.00017","19.6357","0.0002","28.9797","0.0003","90","","92.6173","0.001","90","","8940.48","0.16","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Dy(OMes*)3(BH4)][Na(THF)6]","","- C86 H155 B Dy Na O11 -","- C86 H155 B Dy Na O11 -","- C344 H620 B4 Dy4 Na4 O44 -","4","1","","Parmar, Vijay S.; Gransbury, Gemma K.; Whitehead, George F. S.; Mills, David P.; Winpenny, Richard E. P.","Slow magnetic relaxation in distorted tetrahedral Dy(III) aryloxide complexes.","Chemical communications (Cambridge, England)","2021","57","73","9208","9211","10.1039/d1cc02707g","","x-ray","1.54184","CuKα","","0.0606","0.0472","","","0.1212","0.1286","","","","","","1.053","","","","has coordinates,has disorder","269611","2021-10-06","13:45:14",""
"7128799","12.5443","0.0006","7.1138","0.0004","10.9392","0.0007","90","","90","","90","","976.19","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H9 B F2 O2 -","- C10 H9 B F2 O2 -","- C40 H36 B4 F8 O8 -","4","0.5","","Li, Junbo; Wang, Xuepu; Pan, Yingtong; Sun, Yan; Wang, Guangming; Zhang, Kaka","Unexpected long room-temperature phosphorescence lifetimes of up to 1.0 s observed in iodinated molecular systems.","Chemical communications (Cambridge, England)","2021","57","70","8794","8797","10.1039/d1cc04094d","","","0.71073","MoKα","","0.0471","0.0384","","","0.1064","0.1162","","","","","","1.069","","","","has coordinates","268504","2021-09-06","09:02:19",""
"7128800","7.6012","0.0003","14.2747","0.0005","10.6115","0.0004","90","","91.801","0.001","90","","1150.83","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 B F2 I O2 -","- C10 H8 B F2 I O2 -","- C40 H32 B4 F8 I4 O8 -","4","1","","Li, Junbo; Wang, Xuepu; Pan, Yingtong; Sun, Yan; Wang, Guangming; Zhang, Kaka","Unexpected long room-temperature phosphorescence lifetimes of up to 1.0 s observed in iodinated molecular systems.","Chemical communications (Cambridge, England)","2021","57","70","8794","8797","10.1039/d1cc04094d","","","0.71073","MoKα","","0.0318","0.0296","","","0.078","0.0798","","","","","","1.071","","","","has coordinates","268504","2021-09-06","09:02:22",""
"7128801","9.1578","0.0009","21.5786","0.0017","13.1159","0.0012","90","","91.515","0.003","90","","2591","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C61 H51 Cl2 N -","- C61 H51 Cl2 N -","- C122 H102 Cl4 N2 -","2","1","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","0.71073","MoKα","","0.101","0.0546","","","0.1232","0.1563","","","","","","1.07","","","","has coordinates","269612","2021-10-06","13:45:47",""
"7128802","9.1948","0.0007","21.649","0.0015","13.2822","0.0009","90","","90.634","0.003","90","","2643.8","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H64 Ga N O2 -","- C68 H64 Ga N O2 -","- C136 H128 Ga2 N2 O4 -","2","1","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","1.34139","GaKα","","0.122","0.0986","","","0.2755","0.2898","","","","","","1.073","","","","has coordinates,has disorder","269612","2021-10-06","13:45:48",""
"7128803","14.3228","0.0012","14.5543","0.0011","14.879","0.0011","66.692","0.002","66.937","0.002","74.731","0.002","2599.2","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 K N O2 -","- C68 H64 K N O2 -","- C136 H128 K2 N2 O4 -","2","1","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","0.71073","MoKα","","0.0739","0.0453","","","0.1194","0.1329","","","","","","1.104","","","","has coordinates","269612","2021-10-06","13:45:48",""
"7128804","17.3847","0.0005","17.2277","0.0005","33.7309","0.0011","90","","94.097","0.002","90","","10076.5","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H98 Ga K N5 O6 -","- C92 H98 Ga K N5 O6 -","- C368 H392 Ga4 K4 N20 O24 -","4","1","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","1.34139","GaKα","","0.1473","0.0782","","","0.1984","0.2441","","","","","","1.039","","","","has coordinates,has disorder","269612","2021-10-06","13:45:48",""
"7128805","13.7438","0.0009","46.807","0.003","22.5165","0.0013","90","","102.572","0.003","90","","14137.7","1.5","135","2","135","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H74 Ga N5 -","- C80 H74 Ga N5 -","- C640 H592 Ga8 N40 -","8","2","","Yu, Qian; Zhang, Li; He, Yuhao; Pan, Jinjing; Li, Hao; Bian, Guo-Qing; Chen, Xiaodan; Tan, Gengwen","A stable tetrazagallole and its radical anion dimer.","Chemical communications (Cambridge, England)","2021","57","73","9268","9271","10.1039/d1cc03448k","","","1.34139","GaKα","","0.0774","0.0489","","","0.1274","0.1421","","","","","","1.034","","","","has coordinates,has disorder","269612","2021-10-06","13:45:48",""
"7128806","10.2902","0.0003","13.8257","0.0004","18.5139","0.0006","90","","90","","90","","2633.96","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O8 -","- C26 H32 N2 O8 -","- C104 H128 N8 O32 -","4","1","","Wang, Kaixuan; Xu, Chaoran; Hu, Xinyue; Zhou, Yuqiao; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones","Chemical Communications","2021","57","71","8917","8920","10.1039/D1CC03685H","","","1.54178","CuKα","","0.0278","0.0277","","","0.0735","0.0736","","","","","","1.081","","","","has coordinates","269662","2021-10-06","14:02:06",""
"7128807","9.7907","0.0005","11.0235","0.0006","14.4145","0.0008","90","","107.747","0.002","90","","1481.69","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 N2 O9 -","- C29 H42 N2 O9 -","- C58 H84 N4 O18 -","2","1","","Wang, Kaixuan; Xu, Chaoran; Hu, Xinyue; Zhou, Yuqiao; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones","Chemical Communications","2021","57","71","8917","8920","10.1039/D1CC03685H","","","1.54178","CuKα","","0.0315","0.0311","","","0.0801","0.0807","","","","","","1.079","","","","has coordinates,has disorder","269662","2021-10-06","14:02:06",""
"7128808","9.2997","0.0012","17.268","0.002","12.0322","0.0015","90","","92.223","0.002","90","","1930.8","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H17 Br2 N2 P Zn -","- C18 H17 Br2 N2 P Zn -","- C72 H68 Br8 N8 P4 Zn4 -","4","2","","Berro, Patrick; Norouziyanlakvan, Somayeh; Rao, Gyaneshwar Kumar; Gabidullin, Bulat; Richeson, Darrin","Electrocatalytic reduction of CO<sub>2</sub> to CO and HCO<sub>2</sub><sup>-</sup> with Zn(II) complexes displaying cooperative ligand reduction.","Chemical communications (Cambridge, England)","2021","57","73","9292","9295","10.1039/d1cc03887g","","","0.71073","MoKα","","0.0478","0.0302","","","0.0583","0.0633","","","","","","0.903","","","","has coordinates","269608","2021-10-06","13:44:04",""
"7128809","10.6902","0.0002","10.6902","0.0002","46.4469","0.0009","90","","90","","120","","4596.84","0.15","200","2","200","2","","","","","","","","6","P 61","P 61","169","","","","- C31 H29 Br2 N3 P2 Zn -","- C31 H29 Br2 N3 P2 Zn -","- C186 H174 Br12 N18 P12 Zn6 -","6","1","","Berro, Patrick; Norouziyanlakvan, Somayeh; Rao, Gyaneshwar Kumar; Gabidullin, Bulat; Richeson, Darrin","Electrocatalytic reduction of CO<sub>2</sub> to CO and HCO<sub>2</sub><sup>-</sup> with Zn(II) complexes displaying cooperative ligand reduction.","Chemical communications (Cambridge, England)","2021","57","73","9292","9295","10.1039/d1cc03887g","","","0.71073","MoKα","","0.0467","0.0421","","","0.1026","0.1047","","","","","","1.021","","","","has coordinates","269608","2021-10-06","13:44:08",""
"7128810","19.2591","0.0011","20.1329","0.0012","23.489","0.0009","95.215","0.004","112.055","0.004","113.282","0.006","7441.2","0.9","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C280 H316 Au4 Cl60 Fe2 P8 -","- C252 H260 Au4 Cl4 Fe2 P8 -","- C252 H260 Au4 Cl4 Fe2 P8 -","1","0.5","","Hoy, Reinhard; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Selective formation of a supramolecular coordination complex in the nanometre scale with a ferrocene-based phospholane ligand","Chemical Communications","2021","57","73","9200","9203","10.1039/D1CC03755B","","","0.71073","MoKα","","0.1193","0.0554","","","0.1156","0.1373","","","","","","0.976","","","","has coordinates,has disorder","269610","2021-10-06","13:44:29",""
"7128811","8.3826","0.0015","12.595","0.002","17.554","0.003","90","","95.527","0.016","90","","1844.7","0.5","298","0.02","298","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 O2 -","- C26 H18 O2 -","- C104 H72 O8 -","4","1","","Mondal, Atanu; Shivangi, ?; Tung, Pinku; Wagulde, Siddhant V.; Ramasastry, S. S. V.","Annulative Morita-Baylis-Hillman reaction to synthesise chiral dibenzocycloheptanes.","Chemical communications (Cambridge, England)","2021","57","73","9260","9263","10.1039/d1cc02765d","","x-ray","0.71073","MoKα","","0.1497","0.0822","","","0.2132","0.2842","","","","","","0.986","","","","has coordinates","269609","2021-10-06","13:44:15",""
"7128812","9.1696","0.0005","10.6774","0.0007","12.2477","0.0007","87.619","0.005","87.821","0.004","72.126","0.005","1139.88","0.12","298","0.2","298","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H26 O2 -","- C29 H26 O2 -","- C58 H52 O4 -","2","1","","Mondal, Atanu; Shivangi, ?; Tung, Pinku; Wagulde, Siddhant V.; Ramasastry, S. S. V.","Annulative Morita-Baylis-Hillman reaction to synthesise chiral dibenzocycloheptanes.","Chemical communications (Cambridge, England)","2021","57","73","9260","9263","10.1039/d1cc02765d","","x-ray","0.71073","MoKα","","0.1208","0.0799","","","0.2234","0.2854","","","","","","1.04","","","","has coordinates","269609","2021-10-06","13:44:16",""
"7128813","12.966","0.003","15.946","0.003","12.986","0.003","90","","117.09","0.03","90","","2390.4","1.1","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H78 Al B N2 O3 -","- C50 H78 Al B N2 O3 -","- C100 H156 Al2 B2 N4 O6 -","2","1","","Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun","Reductive elimination of [AlH<sub>2</sub>]<sup>+</sup> from a cationic Ga-Al dihydride.","Chemical communications (Cambridge, England)","2021","57","74","9454","9457","10.1039/d1cc03706d","","","1.54178","CuKα","","0.0523","0.0455","","","0.108","0.1104","","","","","","1.005","","","","has coordinates,has disorder","269648","2021-10-06","13:58:02",""
"7128814","12.13","0.002","16.522","0.003","20.716","0.004","96.05","0.03","102.03","0.03","108.2","0.03","3791.9","1.6","150","","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C157 H214 Al4 B2 N12 -","- C157 H214 Al4 B2 N12 -","- C157 H214 Al4 B2 N12 -","1","0.5","","Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun","Reductive elimination of [AlH<sub>2</sub>]<sup>+</sup> from a cationic Ga-Al dihydride.","Chemical communications (Cambridge, England)","2021","57","74","9454","9457","10.1039/d1cc03706d","","x-ray","1.54178","CuKα","","0.0668","0.0481","","","0.1304","0.1402","","","","","","0.979","","","","has coordinates,has disorder","269648","2021-10-06","13:58:05",""
"7128815","15.996","0.003","20.151","0.004","19.375","0.004","90","","98.43","0.03","90","","6178","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H95 Al B Ga N4 -","- C67 H95 Al B Ga N4 -","- C268 H380 Al4 B4 Ga4 N16 -","4","1","","Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun","Reductive elimination of [AlH<sub>2</sub>]<sup>+</sup> from a cationic Ga-Al dihydride.","Chemical communications (Cambridge, England)","2021","57","74","9454","9457","10.1039/d1cc03706d","","","1.54178","CuKα","","0.0419","0.0372","","","0.0965","0.0994","","","","","","1.039","","","","has coordinates","269648","2021-10-06","13:58:06",""
"7128816","16.022","0.003","20.09","0.004","19.443","0.004","90","","98.52","0.03","90","","6189","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C67 H95 Al2 B N4 -","- C67 H95 Al2 B N4 -","- C268 H380 Al8 B4 N16 -","4","1","","Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun","Reductive elimination of [AlH<sub>2</sub>]<sup>+</sup> from a cationic Ga-Al dihydride.","Chemical communications (Cambridge, England)","2021","57","74","9454","9457","10.1039/d1cc03706d","","","1.54178","CuKα","","0.0433","0.0364","","","0.0936","0.0976","","","","","","1.013","","","","has coordinates","269648","2021-10-06","13:58:06",""
"7128817","16.068","0.003","12.667","0.003","22.56","0.005","90","","109.03","0.03","90","","4340.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Al B N4 -","- C46 H62 Al B N4 -","- C184 H248 Al4 B4 N16 -","4","1","","Morris, Louis J.; Carpentier, Ambre; Maron, Laurent; Okuda, Jun","Reductive elimination of [AlH<sub>2</sub>]<sup>+</sup> from a cationic Ga-Al dihydride.","Chemical communications (Cambridge, England)","2021","57","74","9454","9457","10.1039/d1cc03706d","","x-ray","1.54178","CuKα","","0.0605","0.038","","","0.0959","0.1033","","","","","","0.972","","","","has coordinates","269648","2021-10-06","13:58:06",""
"7128818","15.0103","0.0004","12.9385","0.0003","15.5389","0.0005","90","","111.104","0.001","90","","2815.41","0.14","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H34 N4 O5 -","- C33 H34 N4 O5 -","- C132 H136 N16 O20 -","4","1","","Wang, Chunqin; Han, Songyan; Wang, Tianbao; Zheng, Xuesong; Zhou, Linsen; Liu, Yanhong; Zhang, Cheng; Gao, Ge","Red fluorescent zwitterionic naphthalenediimides with di/mono-benzimidazolium and a negatively-charged oxygen substituent.","Chemical communications (Cambridge, England)","2021","57","74","9422","9425","10.1039/d1cc03586j","","","0.71073","MoKα","","0.0911","0.0512","","","0.1204","0.1383","","","","","","1.04","","","","has coordinates,has disorder","269650","2021-10-06","13:58:35",""
"7128819","11.194","0.005","12.288","0.003","18.063","0.006","90","","95.088","0.014","90","","2474.8","1.5","150","2","149.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Br N3 O7 -","- C26 H26 Br N3 O7 -","- C104 H104 Br4 N12 O28 -","4","1","","Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin","Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.","Chemical communications (Cambridge, England)","2021","57","74","9402","9405","10.1039/d1cc03478b","","","0.71073","MoKα","","0.0356","0.0263","","","0.0566","0.0603","","","","","","1.028","","","","has coordinates","269651","2021-10-06","13:58:46",""
"7128820","8.069","0.0002","11.2404","0.0003","27.7333","0.0008","90","","93.281","0.001","90","","2511.25","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 N3 O8 -","- C27 H29 N3 O8 -","- C108 H116 N12 O32 -","4","1","","Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin","Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.","Chemical communications (Cambridge, England)","2021","57","74","9402","9405","10.1039/d1cc03478b","","","1.54178","CuKα","","0.0696","0.0535","","","0.1257","0.1361","","","","","","1.033","","","","has coordinates","269651","2021-10-06","13:58:49",""
"7128821","8.9528","0.0003","12.4499","0.0005","26.0558","0.0012","90","","90","","90","","2904.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O6 -","- C31 H26 Cl3 N3 O6 -","- C124 H104 Cl12 N12 O24 -","4","1","","Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin","Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.","Chemical communications (Cambridge, England)","2021","57","74","9402","9405","10.1039/d1cc03478b","","x-ray","1.54184","CuKα","","0.0721","0.0624","","","0.1571","0.1694","","","","","","1.05","","","","has coordinates,has disorder","269651","2021-10-06","13:58:52",""
"7128822","8.9802","0.0005","12.365","0.0006","12.6363","0.0006","109.475","0.004","94.551","0.004","90.087","0.004","1318.1","0.12","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H29 N3 O7 -","- C30 H29 N3 O7 -","- C60 H58 N6 O14 -","2","1","","Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin","Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.","Chemical communications (Cambridge, England)","2021","57","74","9402","9405","10.1039/d1cc03478b","","x-ray","0.71073","MoKα","","0.0561","0.0414","","","0.0938","0.1039","","","","","","1.03","","","","has coordinates,has disorder","269651","2021-10-06","13:58:52",""
"7128823","17.5346","0.0002","13.3406","0.0002","23.6839","0.0003","90","","98.365","0.001","90","","5481.25","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Mg2 N4 -","- C64 H76 Mg2 N4 -","- C256 H304 Mg8 N16 -","4","1","","Yuvaraj, K.; Jones, Cameron","Reductive coupling of CO with magnesium anthracene complexes: formation of magnesium enediolates.","Chemical communications (Cambridge, England)","2021","57","73","9224","9227","10.1039/d1cc03890g","","","1.54184","CuKα","","0.0424","0.0395","","","0.1048","0.1072","","","","","","1.042","","","","has coordinates","269618","2021-10-06","13:48:05",""
"7128824","21.3094","0.0002","14.5347","0.0002","26.9566","0.0003","90","","100.011","0.001","90","","8222.03","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C94 H108 Mg4 O12.5 -","- C84 H88 Mg4 O10 -","- C336 H352 Mg16 O40 -","4","1","","Yuvaraj, K.; Jones, Cameron","Reductive coupling of CO with magnesium anthracene complexes: formation of magnesium enediolates.","Chemical communications (Cambridge, England)","2021","57","73","9224","9227","10.1039/d1cc03890g","","","1.54184","CuKα","","0.0599","0.0467","","","0.1148","0.121","","","","","","1.043","","","","has coordinates,has disorder","269618","2021-10-06","13:48:05",""
"7128825","33.1446","0.0007","18.8553","0.0003","23.5022","0.0005","90","","109.114","0.002","90","","13878","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C321 H412 Mg8 N16 O8 -","- C264 H304 Mg8 N16 O8 -","- C528 H608 Mg16 N32 O16 -","2","0.5","","Yuvaraj, K.; Jones, Cameron","Reductive coupling of CO with magnesium anthracene complexes: formation of magnesium enediolates.","Chemical communications (Cambridge, England)","2021","57","73","9224","9227","10.1039/d1cc03890g","","","1.54184","CuKα","","0.1262","0.0756","","","0.162","0.1832","","","","","","1.022","","","","has coordinates,has disorder","269618","2021-10-06","13:48:05",""
"7128826","13.301","0.003","19.539","0.004","25.912","0.005","88.26","0.03","86.73","0.03","83.85","0.03","6683","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C145 H160 Mg4 N8 O4 -","- C131 H144 Mg4 N8 O4 -","- C262 H288 Mg8 N16 O8 -","2","1","","Yuvaraj, K.; Jones, Cameron","Reductive coupling of CO with magnesium anthracene complexes: formation of magnesium enediolates.","Chemical communications (Cambridge, England)","2021","57","73","9224","9227","10.1039/d1cc03890g","","","0.7109","Synchrotron","","0.0912","0.0788","","","0.235","0.2456","","","","","","1.081","","","","has coordinates","269618","2021-10-06","13:48:05",""
"7128827","7.2166","0.0006","13.8579","0.0014","21.181","0.002","79.132","0.006","84.396","0.005","86.572","0.005","2068.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 I2 N3 O P Ru -","- C16 H28 I2 N3 O P Ru -","- C64 H112 I8 N12 O4 P4 Ru4 -","4","2","","Trivedi, Manoj; Sharma, Pooja; Pandey, Indresh Kumar; Kumar, Abhinav; Kumar, Sanjay; Rath, Nigam P.","Acid-assisted hydrogenation of CO<sub>2</sub> to methanol using Ru(II) and Rh(III) RAPTA-type catalysts under mild conditions.","Chemical communications (Cambridge, England)","2021","57","71","8941","8944","10.1039/d1cc03049c","","","0.71073","MoKα","","0.0468","0.0311","","","0.0578","0.0631","","","","","","1.019","","","","has coordinates","269658","2021-10-06","14:00:54",""
"7128828","5.9954","0.0002","10.0675","0.0004","16.2734","0.0007","100.637","0.0019","95.0698","0.0019","103.261","0.0019","930.81","0.06","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 F6 O6 S2 -","- C42 H34 F6 O6 S2 -","- C42 H34 F6 O6 S2 -","1","0.5","","Ye, Zhi-Peng; Gao, Jie; Duan, Xin-Yu; Guan, Jian-Ping; Liu, Fang; Chen, Kai; Xiao, Jun-An; Xiang, Hao-Yue; Yang, Hua","Electrochemical heterodifunctionalization of α-CF<sub>3</sub> alkenes to access α-trifluoromethyl-β-sulfonyl tertiary alcohols.","Chemical communications (Cambridge, England)","2021","57","71","8969","8972","10.1039/d1cc03288g","","","0.71073","MoKα","","0.0496","0.0431","","","0.1154","0.1215","","","","","","1.047","","","","has coordinates","269656","2021-10-06","14:00:16",""
"7128829","16.9475","0.0017","5.4286","0.0005","28.084","0.003","90","","92.011","0.004","90","","2582.2","0.4","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H58 N6 -","- C61 H58 N6 -","- C122 H116 N12 -","2","1","","Dey, Avishek; Chand, Santanu; Ghosh, Munmun; Altamimy, Monerah; Maity, Bholanath; Bhatt, Prashant; Bhat, Imtiaz; Cavallo, Luigi; Eddaoudi, Mohamed; Khashab, Niveen M.","Molecular Recognition and Adsorptive Separation of m-xylene by Trianglimine Crystals","Chemical Communications","2021","","","","","10.1039/D1CC03531B","","","0.71073","MoKα","","0.0982","0.0702","","","0.1849","0.2196","","","","","","1.107","","","","has coordinates","268091","2021-08-16","22:02:23",""
"7128830","15.711","0.002","19.883","0.003","20.217","0.003","80.77","0.005","68.896","0.004","70.524","0.004","5548.9","1.4","150","2","150","2","","","","","","","","3","P 1","P 1","1","","","","- C264 H270 N24 -","- C264 H270 N24 -","- C264 H270 N24 -","1","1","","Dey, Avishek; Chand, Santanu; Ghosh, Munmun; Altamimy, Monerah; Maity, Bholanath; Bhatt, Prashant; Bhat, Imtiaz; Cavallo, Luigi; Eddaoudi, Mohamed; Khashab, Niveen M.","Molecular Recognition and Adsorptive Separation of m-xylene by Trianglimine Crystals","Chemical Communications","2021","","","","","10.1039/D1CC03531B","","","0.71073","MoKα","","0.0856","0.0767","","","0.2254","0.2394","","","","","","1.052","","","","has coordinates","268091","2021-08-16","22:02:24",""
"7128831","15.649","0.008","19.895","0.011","20.237","0.011","81.409","0.015","69.174","0.014","70.838","0.014","5559","5","120","2","120","2","","","","","","","","3","P 1","P 1","1","","","","- C264 H270 N24 -","- C264 H270 N24 -","- C264 H270 N24 -","1","1","","Dey, Avishek; Chand, Santanu; Ghosh, Munmun; Altamimy, Monerah; Maity, Bholanath; Bhatt, Prashant; Bhat, Imtiaz; Cavallo, Luigi; Eddaoudi, Mohamed; Khashab, Niveen M.","Molecular Recognition and Adsorptive Separation of m-xylene by Trianglimine Crystals","Chemical Communications","2021","","","","","10.1039/D1CC03531B","","","0.71073","MoKα","","0.1969","0.0985","","","0.2409","0.284","","","","","","0.893","","","","has coordinates","268091","2021-08-16","22:02:24",""
"7128832","7.0141","0.0007","11.039","0.0011","22.18","0.002","90","","97.678","0.003","90","","1702","0.3","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Sarkar, Souvik; Sahoo, Tapan; Sen, Chiranjit; Ghosh, Subhash Chandra","Copper(II) mediated <i>ortho</i> C-H alkoxylation of aromatic amines using organic peroxides: efficient synthesis of hindered ethers.","Chemical communications (Cambridge, England)","2021","57","71","8949","8952","10.1039/d1cc01803e","","","0.71073","MoKα","","0.1973","0.0866","","","0.2518","0.3669","","","","","","0.966","","","","has coordinates","269659","2021-10-06","14:01:02",""
"7128833","10.9309","0.0002","25.9004","0.0005","17.5286","0.0003","90","","102.9","0.003","90","","4837.35","0.16","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H50 B20 F6 S2 -","- C41.5 H50 B20 F6 S2 -","- C166 H200 B80 F24 S8 -","4","1","","Li, Chong; Aldred, Matthew P.; Harder, Rachel A.; Chen, Ying; Yufit, Dmitry S.; Zhu, Ming-Qiang; Fox, Mark A.","Carborane photochromism: a fatigue resistant carborane switch.","Chemical communications (Cambridge, England)","2021","57","74","9466","9469","10.1039/d1cc03248h","","x-ray","0.71073","MoKα","","0.0866","0.0633","","","0.1466","0.1613","","","","","","1.017","","","","has coordinates,has disorder","269649","2021-10-06","13:58:16",""
"7128834","10.7814","0.0002","14.0893","0.0003","18.4393","0.0004","100.45","0.002","101.146","0.0019","101.436","0.0019","2622.34","0.1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H18 F6 S2 -","- C31 H18 F6 S2 -","- C124 H72 F24 S8 -","4","2","","Li, Chong; Aldred, Matthew P.; Harder, Rachel A.; Chen, Ying; Yufit, Dmitry S.; Zhu, Ming-Qiang; Fox, Mark A.","Carborane photochromism: a fatigue resistant carborane switch.","Chemical communications (Cambridge, England)","2021","57","74","9466","9469","10.1039/d1cc03248h","","","0.71073","MoKα","","0.0813","0.0612","","","0.1418","0.1554","","","","","","1.043","","","","has coordinates,has disorder","269649","2021-10-06","13:58:16",""
"7128835","8.3313","0.0017","8.8068","0.0015","10.2625","0.0015","77.537","0.014","72.055","0.016","75.3","0.016","685.1","0.2","149.99","0.1","149.99","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Chen, Fangyuan; Tang, Junyuan; Wei, Yinhui; Tian, Jingyuan; Gao, Hui; Yi, Wei; Zhou, Zhi","Rh(III)-Catalyzed and synergistic dual directing group-enabled redox-neutral [3+3] annulation of <i>N</i>-phenoxyacetamides with α-allenols.","Chemical communications (Cambridge, England)","2021","57","73","9284","9287","10.1039/d1cc03206b","","x-ray","0.71073","MoKα","","0.1104","0.0832","","","0.2123","0.2471","","","","","","0.998","","","","has coordinates","269614","2021-10-06","13:46:45",""
"7128836","13.63748","0.00012","16.05559","0.00014","13.67121","0.00012","90","","90.1859","0.0008","90","","2993.4","0.05","173.01","0.1","173.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O4 Zn4 -","- C28 H32 O4 Zn4 -","- C112 H128 O16 Zn16 -","4","1","","Borys, Andryj M.; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient transition-metal-free arylation of <i>N</i>,<i>O</i>-acetals using diarylzinc reagents through Zn/Zn cooperativity.","Chemical communications (Cambridge, England)","2021","57","71","8905","8908","10.1039/d1cc04137a","","x-ray","1.54184","CuKα","","0.0536","0.0525","","","0.1487","0.1493","","","","","","1.094","","","","has coordinates","269660","2021-10-06","14:01:33",""
"7128837","9.4666","0.0004","17.7242","0.0007","16.3037","0.0005","90","","96.154","0.003","90","","2719.8","0.18","173.01","0.1","173.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 F10 N2 Zn -","- C29 H26 F10 N2 Zn -","- C116 H104 F40 N8 Zn4 -","4","1","","Borys, Andryj M.; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient transition-metal-free arylation of <i>N</i>,<i>O</i>-acetals using diarylzinc reagents through Zn/Zn cooperativity.","Chemical communications (Cambridge, England)","2021","57","71","8905","8908","10.1039/d1cc04137a","","x-ray","1.54184","CuKα","","0.1983","0.1933","","","0.5125","0.5157","","","","","","2.419","","","","has coordinates","269660","2021-10-06","14:01:36",""
"7128838","10.1787","0.0001","10.3481","0.0002","19.0323","0.0003","85.652","0.001","82.545","0.001","84.931","0.001","1975.75","0.05","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H20 F20 O4 Zn4 -","- C35 H20 F20 O4 Zn4 -","- C70 H40 F40 O8 Zn8 -","2","1","","Borys, Andryj M.; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient transition-metal-free arylation of <i>N</i>,<i>O</i>-acetals using diarylzinc reagents through Zn/Zn cooperativity.","Chemical communications (Cambridge, England)","2021","57","71","8905","8908","10.1039/d1cc04137a","","x-ray","1.54184","CuKα","","0.0308","0.0289","","","0.0791","0.0803","","","","","","1.036","","","","has coordinates","269660","2021-10-06","14:01:39",""
"7128839","12.8055","0.0005","14.5382","0.001","16.1933","0.001","66.616","0.006","75.238","0.004","85.544","0.004","2674.8","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C102 H126 O16 Zn14 -","- C102 H126 O16 Zn14 -","- C102 H126 O16 Zn14 -","1","0.5","","Borys, Andryj M.; Gil-Negrete, Jose M; Hevia, Eva","Atom-efficient transition-metal-free arylation of <i>N</i>,<i>O</i>-acetals using diarylzinc reagents through Zn/Zn cooperativity.","Chemical communications (Cambridge, England)","2021","57","71","8905","8908","10.1039/d1cc04137a","","x-ray","0.71073","MoKα","","0.2263","0.0619","","","0.078","0.0841","","","","","","0.903","","","","has coordinates","269660","2021-10-06","14:01:42",""
"7128840","17.6006","0.0011","9.5335","0.0004","25.8773","0.0017","90","","105.878","0.005","90","","4176.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H56 Fe N2 O Si -","- C53 H56 Fe N2 O Si -","- C212 H224 Fe4 N8 O4 Si4 -","4","1","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","","0.71073","MoKα","","0.1741","0.0851","","","0.1469","0.1943","","","","","","1.085","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128841","15.3738","0.0006","22.1555","0.0006","20.5912","0.0008","90","","95.588","0.003","90","","6980.3","0.4","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H95 Fe2 N4 O4 Si2 -","- C82 H95 Fe2 N4 O4 Si2 -","- C328 H380 Fe8 N16 O16 Si8 -","4","1","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","x-ray","1.54186","CuKα","","0.1016","0.0727","","","0.1694","0.1914","","","","","","1.031","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128842","22.7412","0.0009","10.0006","0.0003","23.1761","0.001","90","","114.07","0.003","90","","4812.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H112 Fe2 N4 O2 Si2 -","- C106 H112 Fe2 N4 O2 Si2 -","- C212 H224 Fe4 N8 O4 Si4 -","2","0.5","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","x-ray","1.54186","CuKα","","0.0835","0.0549","","","0.1255","0.1391","","","","","","1.032","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128843","11.3202","0.0007","11.3024","0.0006","16.7461","0.0009","84.184","0.004","70.145","0.005","88.898","0.005","2004.6","0.2","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H52 Fe N2 O2 Si -","- C48 H52 Fe N2 O2 Si -","- C96 H104 Fe2 N4 O4 Si2 -","2","1","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","","0.71073","MoKα","","0.0603","0.0494","","","0.1285","0.1362","","","","","","1.026","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128844","9.9638","0.0005","17.1476","0.0005","12.4864","0.0006","90","","110.84","0.004","90","","1993.8","0.16","100","2","100.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H52 Fe N2 O Si -","- C48 H52 Fe N2 O Si -","- C96 H104 Fe2 N4 O2 Si2 -","2","0.5","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","","0.71073","MoKα","","0.0552","0.045","","","0.1113","0.1203","","","","","","1.092","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128845","15.18","0.003","22.128","0.002","20.694","0.004","90","","96.132","0.014","90","","6911","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H93 Fe2 N4 O3 Si2 -","- C82 H93 Fe2 N4 O3 Si2 -","- C328 H372 Fe8 N16 O12 Si8 -","4","1","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","x-ray","1.54186","CuKα","","0.0854","0.0641","","","0.1554","0.1725","","","","","","1.042","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128846","35.2084","0.0015","11.2249","0.0004","17.4082","0.0007","90","","107.998","0.003","90","","6543.3","0.5","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H48 Fe N2 O Si -","- C37 H48 Fe N2 O Si -","- C296 H384 Fe8 N16 O8 Si8 -","8","1","","Weyer, Nadine; Heinz, Myron; Bruhn, Clemens; Holthausen, Max C.; Siemeling, Ulrich","Reactivity of an N-heterocyclic silylene with a 1,1'-ferrocenediyl backbone towards carbonyl compounds, including carbon suboxide.","Chemical communications (Cambridge, England)","2021","57","74","9378","9381","10.1039/d1cc03947d","","","0.71073","MoKα","","0.0665","0.0469","","","0.1081","0.1188","","","","","","1.019","","","","has coordinates","269645","2021-10-06","13:57:21",""
"7128847","11.9598","0.0007","12.3574","0.0007","28.0107","0.0015","90","","90","","90","","4139.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 F6 N6 Ni O5 S2 -","- C36 H48 F6 N6 Ni O5 S2 -","- C144 H192 F24 N24 Ni4 O20 S8 -","4","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0708","0.0456","","","0.089","0.0964","","","","","","1.042","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128848","16.6591","0.001","16.9699","0.001","17.4164","0.0009","90","","90","","90","","4923.7","0.5","100","2","100","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C19 H26 Cl2 F3 N3 Ni O3 S -","- C19 H26 Cl2 F3 N3 Ni O3 S -","- C152 H208 Cl16 F24 N24 Ni8 O24 S8 -","8","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0676","0.0453","","","0.0864","0.0932","","","","","","1.004","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128849","8.7211","0.0009","10.2273","0.0011","13.1114","0.0015","86.861","0.003","89.208","0.003","88.693","0.003","1167.3","0.2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H56 F6 N6 Ni2 O4 S2 -","- C46 H56 F6 N6 Ni2 O4 S2 -","- C46 H56 F6 N6 Ni2 O4 S2 -","1","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0329","0.0311","","","0.0788","0.0811","","","","","","1.026","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128850","11.504","0.005","15.705","0.006","13.626","0.005","90","","101.704","0.007","90","","2410.6","1.7","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H50 Cl4 F6 N6 Ni O4 S2 -","- C37 H50 Cl4 F6 N6 Ni O4 S2 -","- C74 H100 Cl8 F12 N12 Ni2 O8 S4 -","2","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0968","0.0498","","","0.0964","0.1238","","","","","","1.034","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128851","23.6705","0.0011","23.6705","0.0011","16.1646","0.0008","90","","90","","120","","7843.5","0.6","100","2","100","2","","","","","","","","7","P 65","P 65","170","","","","- C36 H47 F6 N9 Ni O5 S2 -","- C36 H47 F6 N9 Ni O4 S2 -","- C216 H282 F36 N54 Ni6 O24 S12 -","6","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0652","0.0449","","","0.1031","0.1117","","","","","","1.028","","","","has coordinates,has disorder","269617","2021-10-06","13:47:30",""
"7128852","9.5354","0.0003","13.7676","0.0005","15.1853","0.0004","90","","90.373","0.003","90","","1993.48","0.11","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N O3 P -","- C22 H24 N O3 P -","- C88 H96 N4 O12 P4 -","4","1","","Huang, Wen-Bin; Qiu, Li-Qi; Ren, Fang-Yu; He, Liang-Nian","Facile synthesis of α-aminophosphine oxides from diarylphosphine oxides, arynes and formamides.","Chemical communications (Cambridge, England)","2021","57","75","9578","9581","10.1039/d1cc04101k","","x-ray","0.71073","MoKα","","0.0517","0.0415","","","0.0991","0.1055","","","","","","1.041","","","","has coordinates","269642","2021-10-06","13:56:25",""
"7128853","9","0.0017","11.736","0.002","14.406","0.003","90","","90.775","0.004","90","","1521.5","0.5","153","","153","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H27 B2 F8 N Pd2 Pt -","- C30 H27 B2 F8 N Pd2 Pt -","- C60 H54 B4 F16 N2 Pd4 Pt2 -","2","1","","Yamaura, Hiroshige; Yamamoto, Koji; Murahashi, Tetsuro","Selective dimerization of a trinuclear mixed-metal sandwich complex: construction of an axially chiral metal skeleton.","Chemical communications (Cambridge, England)","2021","57","72","9120","9123","10.1039/d1cc03719f","","","0.71075","MoKα","","0.1063","0.0879","","","0.2167","0.2451","","","","","","1.13","","","","has coordinates","269666","2021-10-06","14:04:03",""
"7128854","10.2863","0.0003","10.8987","0.0004","17.5682","0.0005","104.171","0.0009","103.203","0.0009","92.3928","0.0011","1849.14","0.1","153","2","153.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 B2 F8 O Pd Pt2 -","- C42 H36 B2 F8 O Pd Pt2 -","- C84 H72 B4 F16 O2 Pd2 Pt4 -","2","1","","Yamaura, Hiroshige; Yamamoto, Koji; Murahashi, Tetsuro","Selective dimerization of a trinuclear mixed-metal sandwich complex: construction of an axially chiral metal skeleton.","Chemical communications (Cambridge, England)","2021","57","72","9120","9123","10.1039/d1cc03719f","","x-ray","0.71075","MoKα","","0.0545","0.0501","","","0.1493","0.1516","","","","","","1.123","","","","has coordinates","269666","2021-10-06","14:04:04",""
"7128855","11.4221","0.0004","13.8137","0.0004","14.3901","0.0004","83.8592","0.0008","76.9542","0.0009","71.2097","0.0009","2092.56","0.11","143.15","","143.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 B2 F8 N4 Pd4 Pt2 -","- C36 H40 B2 F8 N4 Pd4 Pt2 -","- C72 H80 B4 F16 N8 Pd8 Pt4 -","2","1","","Yamaura, Hiroshige; Yamamoto, Koji; Murahashi, Tetsuro","Selective dimerization of a trinuclear mixed-metal sandwich complex: construction of an axially chiral metal skeleton.","Chemical communications (Cambridge, England)","2021","57","72","9120","9123","10.1039/d1cc03719f","","x-ray","0.71075","MoKα","","0.0411","0.0388","","","0.0946","0.0961","","","","","","1.021","","","","has coordinates","269666","2021-10-06","14:04:04",""
"7128856","12.7384","0.0003","15.0444","0.0004","16.389","0.0004","89.1192","0.0007","80.0982","0.0007","75.3532","0.0007","2992.18","0.13","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H63 B2 F8 Pd2 Pt4 -","- C71 H63 B2 F8 Pd2 Pt4 -","- C142 H126 B4 F16 Pd4 Pt8 -","2","1","","Yamaura, Hiroshige; Yamamoto, Koji; Murahashi, Tetsuro","Selective dimerization of a trinuclear mixed-metal sandwich complex: construction of an axially chiral metal skeleton.","Chemical communications (Cambridge, England)","2021","57","72","9120","9123","10.1039/d1cc03719f","","","0.71075","MoKα","","0.0291","0.0257","","","0.0629","0.0643","","","","","","1.042","","","","has coordinates","269666","2021-10-06","14:04:04",""
"7128857","12.8904","0.0002","7.4881","0.0001","31.9207","0.0004","90","","101.584","0.001","90","","3018.37","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 S -","- C44 H36 S -","- C176 H144 S4 -","4","1","","Agrawal, Abhijeet R.; Kumar, Neha Rani; Choudhury, Aditya; Zade, Sanjio S.","Synthesis of bent-shaped π-extended thienoacenes from 2,5-distannylated 3,4-dialkynethiophene.","Chemical communications (Cambridge, England)","2021","57","75","9538","9541","10.1039/d1cc04283a","","x-ray","1.54184","CuKα","","0.0347","0.0338","","","0.087","0.0875","","","","","","1.065","","","","has coordinates","269641","2021-10-06","13:56:19",""
"7128858","6.0314","0.0003","7.4369","0.0003","23.9241","0.001","90","","92.818","0.002","90","","1071.82","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H18 Cl3 F N2 O4 -","- C22 H18 Cl3 F N2 O4 -","- C44 H36 Cl6 F2 N4 O8 -","2","1","","Kaur, Kirandeep; Humbrías-Martín, Jorge; Hoppmann, Leon; Fernández-Salas, Jose A; Daniliuc, Constantin G.; Alemán, José; Mancheño, Olga García","Enantioselective vinylogous-Mukaiyama-type dearomatisation by anion-binding catalysis.","Chemical communications (Cambridge, England)","2021","57","73","9244","9247","10.1039/d1cc03514b","","x-ray","0.71073","MoKα","","0.0261","0.0244","","","0.0556","0.0567","","","","","","1.031","","","","has coordinates","269620","2021-10-06","13:48:20",""
"7128859","9.6865","0.0007","10.34","0.0008","17.7546","0.0011","90","","90","","90","","1778.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0546","0.0389","","","0.0833","0.0935","","","","","","1.039","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128860","6.0632","0.0003","26.8654","0.0012","10.3001","0.0005","90","","92.299","0.002","90","","1676.44","0.14","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl2 N2 O -","- C15 H22 Cl2 N2 O -","- C60 H88 Cl8 N8 O4 -","4","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0703","0.0458","","","0.0894","0.1028","","","","","","1.075","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128861","6.506","0.0004","4.7861","0.0003","21.3358","0.001","90","","96.991","0.002","90","","659.42","0.07","213","2","213","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H15 Br Cl F N2 O -","- C12 H15 Br Cl F N2 O -","- C24 H30 Br2 Cl2 F2 N4 O2 -","2","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0205","0.0195","","","0.0487","0.049","","","","","","0.998","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128862","9.8421","0.0019","19.15","0.004","10.45","0.002","90","","90","","90","","1969.6","0.7","192","2","192","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0915","0.0544","","","0.0999","0.1203","","","","","","1.094","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128863","13.468","0.0013","14.2172","0.0013","10.9007","0.001","90","","92.363","0.003","90","","2085.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O4 -","- C20 H30 N2 O4 -","- C80 H120 N8 O16 -","4","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0908","0.0521","","","0.1082","0.1293","","","","","","1.085","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128864","9.9031","0.0014","9.9209","0.0015","10.8025","0.0014","72.827","0.004","89.188","0.004","78.782","0.005","993.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C44 H60 N4 O4 -","2","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0787","0.0574","","","0.1469","0.1651","","","","","","1.029","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128865","8.3317","0.0003","14.2855","0.0005","15.6527","0.0006","90","","100.345","0.0012","90","","1832.74","0.12","","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl4 O4 -","- C46 H36 Cl4 O4 -","- C92 H72 Cl8 O8 -","2","0.5","","Shan, Zhen; Wu, Miaomiao; Gu, Zhangjie; Nishiyama, Yusuke; Zhang, Gen","A non-planar 2D covalent organic framework derived from a Z-shaped building unit.","Chemical communications (Cambridge, England)","2021","57","73","9236","9239","10.1039/d1cc04103g","","","0.71073","MoKα","","0.0965","0.0786","","","0.2382","0.2642","","","","","","1.0648","","","","has coordinates","269616","2021-10-06","13:47:14",""
"7128866","16.376","0.0007","14.9059","0.0007","25.2682","0.001","90","","107.609","0.001","90","","5878.9","0.4","299.62","","299.62","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H44 Mn3 N3 O11 -","- C59 H44 Mn3 N3 O11 -","- C236 H176 Mn12 N12 O44 -","4","1","","Yang, Chao; Liu, Dingqi; Wang, Tongshuai; Sun, Fuxing; Qiu, Shilun; Wu, Gang","Manganese-promoted cleavage of acetylacetonate resembling the β-diketone cleaving dioxygenase (Dke1) reactivity.","Chemical communications (Cambridge, England)","2021","57","74","9462","9465","10.1039/d1cc02774c","","","0.71073","MoKα","","0.0433","0.0332","","","0.0829","0.0886","","","","","","1.029","","","","has coordinates","269646","2021-10-06","13:57:38",""
"7128867","14.139","0.003","22.693","0.005","16.025","0.003","90","","95.846","0.007","90","","5115","1.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110 H80 K2 Mn6 N6 O26 -","- C110 H80 K2 Mn6 N6 O26 -","- C220 H160 K4 Mn12 N12 O52 -","2","0.5","","Yang, Chao; Liu, Dingqi; Wang, Tongshuai; Sun, Fuxing; Qiu, Shilun; Wu, Gang","Manganese-promoted cleavage of acetylacetonate resembling the β-diketone cleaving dioxygenase (Dke1) reactivity.","Chemical communications (Cambridge, England)","2021","57","74","9462","9465","10.1039/d1cc02774c","","","0.71073","MoKα","","0.1079","0.0765","","","0.2356","0.2589","","","","","","1.056","","","","has coordinates","269646","2021-10-06","13:57:38",""
"7128868","10.833","0.002","37.692","0.008","11.684","0.003","90","","91.393","0.007","90","","4769.4","1.8","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 Mn3 N4 O10 -","- C46 H41 Mn3 N4 O10 -","- C184 H164 Mn12 N16 O40 -","4","1","","Yang, Chao; Liu, Dingqi; Wang, Tongshuai; Sun, Fuxing; Qiu, Shilun; Wu, Gang","Manganese-promoted cleavage of acetylacetonate resembling the β-diketone cleaving dioxygenase (Dke1) reactivity.","Chemical communications (Cambridge, England)","2021","57","74","9462","9465","10.1039/d1cc02774c","","","0.71073","MoKα","","0.098","0.0607","","","0.1556","0.1717","","","","","","1.05","","","","has coordinates","269646","2021-10-06","13:57:38",""
"7128869","7.946","0.009","8.073","0.01","39.47","0.05","90","","90","","90","","2532","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O5 -","- C28 H33 Br O5 -","- C112 H132 Br4 O20 -","4","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","","0.71075","MoKα","","0.0462","0.0427","","","0.1055","0.1088","","","","","","1.1","","","","has coordinates,has disorder","269607","2021-10-06","13:43:46",""
"7128870","14.7972","0.0006","8.0733","0.0003","18.9373","0.0007","90","","96.319","0.004","90","","2248.55","0.15","123","","123","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H28 -","- C32 H28 -","- C128 H112 -","4","2","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.0865","0.0572","","","0.1113","0.1263","","","","","","1.008","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128871","11.0786","0.0007","15.0781","0.0009","15.4237","0.0009","90","","90","","90","","2576.4","0.3","123","","123","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.1017","0.063","","","0.1076","0.1219","","","","","","1.015","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128872","8.2667","0.0012","12.9527","0.0018","9.9631","0.0016","90","","102.109","0.015","90","","1043.1","0.3","123","","123","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C32 H24 -","- C32 H24 -","- C64 H48 -","2","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.1535","0.08","","","0.128","0.1571","","","","","","1.038","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128873","9.1381","0.0003","7.2746","0.0002","16.347","0.0005","90","","91.457","0.003","90","","1086.33","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H27 Br O4 -","- C26 H27 Br O4 -","- C52 H54 Br2 O8 -","2","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.0417","0.0372","","","0.0851","0.088","","","","","","1.017","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128874","8.389","0.0002","21.6023","0.0006","30.9026","0.0008","90","","90","","90","","5600.2","0.3","150","","150","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 -","- C40 H32 -","- C320 H256 -","8","2","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.163","0.0676","","","0.1009","0.125","","","","","","1","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128875","19.621","0.0013","7.3648","0.0005","25.7732","0.0017","90","","90","","90","","3724.3","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C192 H152 N8 O24 -","8","1","","Prasad, Budaganaboyina; Phanindrudu, Mandalaparthi; Nanubolu, Jagadeesh Babu; Kamal, Ahmed; Tiwari, Dharmendra Kumar","Stereoselective synthesis of (<i>Z</i>)-1,3-bis(α,β-unsaturated carbonyl)-isoindolines from aldehydes and phenacyl azides under metal free conditions.","Chemical communications (Cambridge, England)","2021","57","75","9542","9545","10.1039/d1cc02884g","","","0.71073","MoKα","","0.0894","0.0521","","","0.1169","0.1352","","","","","","1.037","","","","has coordinates","269638","2021-10-06","13:55:46",""
"7128876","40.0469","0.0011","12.2563","0.0004","23.2462","0.0006","90","","108.059","0.001","90","","10847.8","0.5","150","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H82 As2 N10 Na2 O91 Rh2 W22 -","- C24 H82 As2 N10 Na2 O91 Rh2 W22 -","- C96 H328 As8 N40 Na8 O364 Rh8 W88 -","4","0.5","","Liu, Zhen; Zhang, Xue; Wan, Rong; Li, Huafeng; Hong, Yumei; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","A Rh-substituted polyoxometalate with an acetate-modified building block {As<sub>2</sub>W<sub>22</sub>O<sub>76</sub>(CH<sub>3</sub>COO)<sub>2</sub>}.","Chemical communications (Cambridge, England)","2021","57","79","10250","10253","10.1039/d1cc03646g","","","0.71073","MoKα","","0.0324","0.0265","","","0.0554","0.0579","","","","","","1.031","","","","has coordinates","270367","2021-11-06","18:50:11",""
"7128877","5.1578","0.0003","8.9611","0.0004","9.5418","0.0005","92.623","0.002","103.752","0.001","95.143","0.002","425.62","0.04","170","2","170.02","","","","","","","","","5","P 1","P 1","1","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C19 H21 N O2 S -","1","1","","Wu, Xiang; Ding, Du; Zhang, Ying; Jiang, Hua-Jie; Wang, Tao; Zhao, Li-Ping","Enantioselective synthesis of 1-aminoindene derivatives <i>via</i> asymmetric Brønsted acid catalysis.","Chemical communications (Cambridge, England)","2021","57","76","9680","9683","10.1039/d1cc03568a","","","1.34139","GaKα","","0.0374","0.0368","","","0.0916","0.0922","","","","","","1.071","","","","has coordinates","269635","2021-10-06","13:54:39",""
"7128878","8.1788","0.0003","7.7926","0.0003","16.7712","0.0006","90","","103.581","0.002","90","","1039.01","0.07","200","2","200","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Wu, Xiang; Ding, Du; Zhang, Ying; Jiang, Hua-Jie; Wang, Tao; Zhao, Li-Ping","Enantioselective synthesis of 1-aminoindene derivatives <i>via</i> asymmetric Brønsted acid catalysis.","Chemical communications (Cambridge, England)","2021","57","76","9680","9683","10.1039/d1cc03568a","","","1.34139","GaKα","","0.0389","0.0356","","","0.0896","0.0926","","","","","","1.048","","","","has coordinates","269635","2021-10-06","13:54:49",""
"7128879","15.4942","0.0008","12.4379","0.0008","25.9022","0.0017","90","","90","","90","","4991.8","0.5","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C50 H44 B2 F4 N4 O2 -","- C50 H44 B2 F4 N4 O2 -","- C200 H176 B8 F16 N16 O8 -","4","0.5","","Kang, Zhengxin; Wu, Qinghua; Guo, Xing; Wang, Long; Ye, Yin; Yu, Changjiang; Wang, Hua; Hao, Erhong; Jiao, Lijuan","FeCl<sub>3</sub>-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions.","Chemical communications (Cambridge, England)","2021","57","77","9886","9889","10.1039/d1cc04098g","","","0.71073","MoKα","","0.1135","0.0846","","","0.2539","0.2974","","","","","","1.103","","","","has coordinates","269629","2021-10-06","13:50:32",""
"7128880","15.1048","0.0005","12.2629","0.0004","18.3629","0.0006","90","","90","","90","","3401.34","0.19","273.15","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H30 B2 Cl2 F4 N4 -","- C36 H30 B2 Cl2 F4 N4 -","- C144 H120 B8 Cl8 F16 N16 -","4","0.5","","Kang, Zhengxin; Wu, Qinghua; Guo, Xing; Wang, Long; Ye, Yin; Yu, Changjiang; Wang, Hua; Hao, Erhong; Jiao, Lijuan","FeCl<sub>3</sub>-promoted regioselective synthesis of BODIPY dimers through oxidative aromatic homocoupling reactions.","Chemical communications (Cambridge, England)","2021","57","77","9886","9889","10.1039/d1cc04098g","","","0.71073","MoKα","","0.0892","0.0713","","","0.1365","0.1492","","","","","","1.11","","","","has coordinates","269629","2021-10-06","13:50:33",""
"7128881","40.1788","0.0014","21.4061","0.0007","11.3403","0.0003","90","","90","","90","","9753.5","0.5","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","[(Et3PAg)3(PhSi)3S6]","","- C36 H60 Ag3 P3 S6 Si3 -","- C36 H60 Ag3 P3 S6 Si3 -","- C288 H480 Ag24 P24 S48 Si24 -","8","2","","Nier, Simon; Ringelband, Sven; Dehnen, Stefanie","Selective replacement of organosilicon units in the cluster [(PhSi)<sub>4</sub>S<sub>6</sub>] with coinage metal complex fragments.","Chemical communications (Cambridge, England)","2021","57","79","10254","10257","10.1039/d1cc04264e","","","0.71073","MoKα","","0.0384","0.0265","","","0.0522","0.0536","","","","","","0.906","","","","has coordinates","270363","2021-11-06","18:49:05",""
"7128882","19.0521","0.0009","19.7933","0.0008","21.5839","0.0009","107.582","0.003","115.295","0.003","99.475","0.003","6595.4","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","Na2[(Me3PCu)(PhSi)3S6]","","- C103 H152 Cu3 Na6 O10 P3 S18 Si9 -","- C99 H144 Cu3 Na6 O9 P3 S18 Si9 -","- C198 H288 Cu6 Na12 O18 P6 S36 Si18 -","2","1","","Nier, Simon; Ringelband, Sven; Dehnen, Stefanie","Selective replacement of organosilicon units in the cluster [(PhSi)<sub>4</sub>S<sub>6</sub>] with coinage metal complex fragments.","Chemical communications (Cambridge, England)","2021","57","79","10254","10257","10.1039/d1cc04264e","","","0.71073","MoKα","","0.0582","0.0406","","","0.0984","0.1055","","","","","","1.036","","","","has coordinates","270363","2021-11-06","18:49:05",""
"7128883","15.67351","0.00012","34.78","0.0003","21.94284","0.00018","90","","90","","90","","11961.6","0.17","100.01","0.1","100.01","0.1","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C113 H93 F18 Ir3 N17 O11 P3 -","- C113 H93 F18 Ir3 N17 O11 P3 -","- C452 H372 F72 Ir12 N68 O44 P12 -","4","0.5","","Sunohara, Haruka; Koyamada, Kenta; Takezawa, Hiroki; Fujita, Makoto","An Ir<sub>3</sub>L<sub>2</sub> complex with anion binding pockets: photocatalytic <i>E</i>-<i>Z</i> isomerization <i>via</i> molecular recognition.","Chemical communications (Cambridge, England)","2021","57","73","9300","9302","10.1039/d1cc03620c","","x-ray","1.54184","CuKα","","0.0346","0.031","","","0.079","0.0804","","","","","","1.056","","","","has coordinates,has disorder","269615","2021-10-06","13:46:59",""
"7128884","16.8732","0.0002","20.5915","0.0002","32.4982","0.0005","90","","90","","90","","11291.3","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H78 F18 Ir3 N12 P3 -","- C108 H78 F18 Ir3 N12 P3 -","- C432 H312 F72 Ir12 N48 P12 -","4","1","","Sunohara, Haruka; Koyamada, Kenta; Takezawa, Hiroki; Fujita, Makoto","An Ir<sub>3</sub>L<sub>2</sub> complex with anion binding pockets: photocatalytic <i>E</i>-<i>Z</i> isomerization <i>via</i> molecular recognition.","Chemical communications (Cambridge, England)","2021","57","73","9300","9302","10.1039/d1cc03620c","","x-ray","1.54184","CuKα","","0.0846","0.0489","","","0.1004","0.1152","","","","","","0.962","","","","has coordinates","269615","2021-10-06","13:46:59",""
"7128885","11.9028","0.0005","12.0034","0.0005","12.1944","0.0005","79.154","0.001","81.444","0.001","62.787","0.001","1517.81","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H106 Si12 -","- C48 H106 Si12 -","- C48 H106 Si12 -","1","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","π-Conjugated species with an unsupported Si-Si π-bond obtained from direct π-extension.","Chemical communications (Cambridge, England)","2021","57","76","9692","9695","10.1039/d1cc04332c","","","0.71073","MoKα","","0.0356","0.0304","","","0.0746","0.0786","","","","","","1.045","","","","has coordinates","269632","2021-10-06","13:52:29",""
"7128886","10.9137","0.0005","23.4184","0.0012","11.4842","0.0006","90","","90.487","0.001","90","","2935","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 Si12 -","- C48 H90 Si12 -","- C96 H180 Si24 -","2","0.5","","Nukazawa, Takumi; Iwamoto, Takeaki","π-Conjugated species with an unsupported Si-Si π-bond obtained from direct π-extension.","Chemical communications (Cambridge, England)","2021","57","76","9692","9695","10.1039/d1cc04332c","","","0.71073","MoKα","","0.0479","0.04","","","0.0979","0.1013","","","","","","1.076","","","","has coordinates","269632","2021-10-06","13:52:41",""
"7128887","9.5459","0.0014","11.7033","0.0017","12.1756","0.0017","70.756","0.005","84.677","0.005","67.243","0.005","1183.3","0.3","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 Cl2 N2 O Ru S2 -","- C23 H24 Cl2 N2 O Ru S2 -","- C46 H48 Cl4 N4 O2 Ru2 S4 -","2","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","","0.71073","MoKα","","0.0747","0.0453","","","0.0926","0.1042","","","","","","1.027","","","","has coordinates","269637","2021-10-06","13:55:38",""
"7128888","8.057","0.0006","14.0475","0.0013","12.2644","0.0009","90","","95.457","0.006","90","","1381.8","0.19","298.16","0.1","298.16","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H37 N2 O P -","- C31 H37 N2 O P -","- C62 H74 N4 O2 P2 -","2","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","x-ray","0.71073","MoKα","","0.0876","0.0681","","","0.185","0.197","","","","","","1.055","","","","has coordinates","269637","2021-10-06","13:55:39",""
"7128889","14.0017","0.001","14.1141","0.0008","14.6959","0.0011","90","","109.903","0.008","90","","2730.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 N2 O2 P -","- C31 H37 N2 O2 P -","- C124 H148 N8 O8 P4 -","4","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","","0.71073","MoKα","","0.1066","0.0609","","","0.1371","0.1558","","","","","","1.015","","","","has coordinates","269637","2021-10-06","13:55:39",""
"7128890","13.406","0.003","14.783","0.003","30.449","0.006","99.67","0.03","102.51","0.03","96.47","0.03","5737","2","170","2","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C128 H142 K4 N4 O4 P4 -","- C128 H142 K4 N4 O4 P4 -","- C256 H284 K8 N8 O8 P8 -","2","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","","0.71073","MoKα","","0.1286","0.0656","","","0.1632","0.194","","","","","","1.02","","","","has coordinates","269637","2021-10-06","13:55:39",""
"7128891","38.1631","0.0019","9.9045","0.0006","8.5781","0.0005","90","","90","","90","","3242.4","0.3","293","2","293","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C31 H38 F6 N2 P Sb -","- C31 H38 F6 N2 P Sb -","- C124 H152 F24 N8 P4 Sb4 -","4","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","","0.71073","MoKα","","0.094","0.0624","","","0.1564","0.1737","","","","","","1.014","","","","has coordinates,has disorder","269637","2021-10-06","13:55:39",""
"7128892","12.6743","0.0002","14.2432","0.0003","20.3249","0.0007","93.375","0.002","91.737","0.002","108.005","0.002","3478.82","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H78 Cl2 F12 N4 O4 P2 Sb2 -","- C63 H78 Cl2 F12 N4 O4 P2 Sb2 -","- C126 H156 Cl4 F24 N8 O8 P4 Sb4 -","2","1","","Dhara, Debabrata; Pal, Pradeep Kumar; Dolai, Ramapada; Chrysochos, Nicolas; Rawat, Hemant; Elvers, Benedict J.; Krummenacher, Ivo; Braunschweig, Holger; Schulzke, Carola; Chandrasekhar, Vadapalli; Priyakumar, U. Deva; Jana, Anukul","Synthesis and reactivity of NHC-coordinated phosphinidene oxide.","Chemical communications (Cambridge, England)","2021","57","75","9546","9549","10.1039/d1cc04421d","","","0.71073","MoKα","","0.1003","0.0886","","","0.2396","0.2498","","","","","","1.06","","","","has coordinates,has disorder","269637","2021-10-06","13:55:39",""
"7128893","25.6297","0.0008","6.39261","0.00018","12.469","0.0003","90","","114.818","0.003","90","","1854.26","0.1","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Liu, Hua-Wei; Wang, Dian-Liang; Jiang, Nan-Quan; Li, Hai-Yan; Cai, Zhong-Jian; Ji, Shun-Jun","Divergent synthesis of α-functionalized amides through selective N-O/C-C or N-O/C-C/C-N cleavage of aza-cyclobutanone oxime esters.","Chemical communications (Cambridge, England)","2021","57","75","9618","9621","10.1039/d1cc03348d","","","1.54178","CuKα","","0.0609","0.0559","","","0.1382","0.1455","","","","","","0.894","","","","has coordinates","269639","2021-10-06","13:55:54",""
"7128894","14.5103","0.0009","10.8097","0.0007","9.4091","0.0005","90","","93.534","0.006","90","","1473.03","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 N O3 -","- C14 H15 F3 N O3 -","- C56 H60 F12 N4 O12 -","4","1","","Liu, Hua-Wei; Wang, Dian-Liang; Jiang, Nan-Quan; Li, Hai-Yan; Cai, Zhong-Jian; Ji, Shun-Jun","Divergent synthesis of α-functionalized amides through selective N-O/C-C or N-O/C-C/C-N cleavage of aza-cyclobutanone oxime esters.","Chemical communications (Cambridge, England)","2021","57","75","9618","9621","10.1039/d1cc03348d","","","1.54184","CuKα","","0.1107","0.1005","","","0.313","0.3419","","","","","","1.055","","","","has coordinates,has disorder","269639","2021-10-06","13:55:55",""
"7128895","10.6842","0.0017","10.8749","0.0017","12.429","0.002","91.808","0.002","111.391","0.002","101.478","0.002","1309.1","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","3'-azido-2'-(1H-benzo[d]imidazol-1-yl)-1H,3'H-3,3'-biindole","","- C23 H15 N7 -","- C23 H15 N7 -","- C46 H30 N14 -","2","1","","Liu, Xiaoyu; He, Kun; Gao, Na; Jiang, Peiyun; Lin, Jun; Jin, Yi","A radical-mediated multicomponent cascade reaction for the synthesis of azide-biindole derivatives.","Chemical communications (Cambridge, England)","2021","57","76","9696","9699","10.1039/d1cc03853b","","","0.71073","MoKα","","0.1128","0.0669","","","0.1995","0.2246","","","","","","1.186","","","","has coordinates","269633","2021-10-06","13:53:31",""
"7128896","8.0191","0.001","10.4708","0.0013","13.007","0.0016","68.608","0.005","84.564","0.005","75.181","0.004","983.1","0.2","170","2","170","","","","","","","","","3","P -1","-P 1","2","","3'-azido-7,7'-dimethyl-2'-(4-methyl-1H-imidazol-1-yl)-1H,3'H-3,3'-biindole","","- C22 H19 N7 -","- C22 H19 N7 -","- C44 H38 N14 -","2","1","","Liu, Xiaoyu; He, Kun; Gao, Na; Jiang, Peiyun; Lin, Jun; Jin, Yi","A radical-mediated multicomponent cascade reaction for the synthesis of azide-biindole derivatives.","Chemical communications (Cambridge, England)","2021","57","76","9696","9699","10.1039/d1cc03853b","","","0.71073","MoKα","","0.0901","0.0514","","","0.1214","0.1445","","","","","","1.04","","","","has coordinates","269633","2021-10-06","13:54:06",""
"7128897","7.196","0.005","19.955","0.015","24.468","0.018","90","0.005","90.05","0.001","90","0.005","3514","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H31 N8 -","- C46 H31 N8 -","- C184 H124 N32 -","4","1","","Liu, Xiaoyu; He, Kun; Gao, Na; Jiang, Peiyun; Lin, Jun; Jin, Yi","A radical-mediated multicomponent cascade reaction for the synthesis of azide-biindole derivatives.","Chemical communications (Cambridge, England)","2021","57","76","9696","9699","10.1039/d1cc03853b","","","0.71073","MoKα","","0.1983","0.0621","","","0.0985","0.1289","","","","","","0.757","","","","has coordinates","269633","2021-10-06","13:54:09",""
"7128898","12.375","0.0009","13.3822","0.0008","20.4459","0.0013","101.724","0.005","90.576","0.005","109.974","0.006","3104.2","0.4","291.4","0.4","291.4","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C65 H66 N2 O20 Zn -","- C65 H65 N2 O20 Zn -","- C130 H130 N4 O40 Zn2 -","2","1","","Zhong, Kaipeng; Lu, Siyu; Guo, Wenting; Su, Junxia; Sun, Shihao; Hai, Jun; Wang, Baodui","NIR emissive light-harvesting systems through perovskite passivation and sequential energy transfer for third-level fingerprint imaging.","Chemical communications (Cambridge, England)","2021","57","74","9434","9437","10.1039/d1cc03006j","","x-ray","0.71","MoKα","","0.1785","0.0959","","","0.2288","0.2947","","","","","","1.021","","","","has coordinates","269647","2021-10-06","13:57:46",""
"7128899","14.0903","0.0005","14.7705","0.0004","17.8312","0.0007","72.082","0.003","84.734","0.003","88.356","0.003","3516.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H60 Cl5 Cu4 N4 O4 P4 -","- C70 H60 Cl5 Cu4 N4 O4 P4 -","- C140 H120 Cl10 Cu8 N8 O8 P8 -","2","1","","Huang, Qiu-Qin; Hu, Mei-Yue; Li, Yan-Li; Chen, Nan-Nan; Li, Yi; Wei, Qiao-Hua; Fu, FengFu","Novel ultrabright luminescent copper nanoclusters and application in light-emitting devices.","Chemical communications (Cambridge, England)","2021","57","77","9890","9893","10.1039/d1cc03799d","","","0.71073","MoKα","","0.0534","0.0429","","","0.1291","0.1346","","","","","","1.153","","","","has coordinates","269626","2021-10-06","13:50:06",""
"7128900","49.294","0.003","12.7809","0.0006","23.0005","0.0013","90","","98.205","0.004","90","","14342.5","1.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C71 H60 Cl6 Cu3 N4 O9 P4 -","- C71 H60 Cl6 Cu3 N4 O9 P4 -","- C568 H480 Cl48 Cu24 N32 O72 P32 -","8","1","","Huang, Qiu-Qin; Hu, Mei-Yue; Li, Yan-Li; Chen, Nan-Nan; Li, Yi; Wei, Qiao-Hua; Fu, FengFu","Novel ultrabright luminescent copper nanoclusters and application in light-emitting devices.","Chemical communications (Cambridge, England)","2021","57","77","9890","9893","10.1039/d1cc03799d","","","0.71073","MoKα","","0.1004","0.0754","","","0.2201","0.2396","","","","","","1.047","","","","has coordinates","269626","2021-10-06","13:50:07",""
"7128901","19.304","0.003","8.5274","0.0012","21.312","0.003","90","","102.919","0.008","90","","3419.4","0.9","110","2","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 B Cl F4 O2 P -","- C41 H32 B Cl F4 O2 P -","- C164 H128 B4 Cl4 F16 O8 P4 -","4","1","","Zhou, Jiliang; Litle, Elishua D.; Gabbaï, François P","Isolation and reactivity of a gold(I) hydroxytrifluoroborate complex stabilized by anion-π<sup>+</sup> interactions.","Chemical communications (Cambridge, England)","2021","57","79","10154","10157","10.1039/d1cc04105c","","","1.54178","CuKα","","0.0708","0.0655","","","0.1585","0.1629","","","","","","1.032","","","","has coordinates,has disorder","270362","2021-11-06","18:48:29",""
"7128902","12.0811","0.0017","27.755","0.004","13.1547","0.0018","90","","113.191","0.005","90","","4054.5","1","110","2","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Au B2 F8 O2 P S -","- C44 H38 Au B2 F8 O2 P S -","- C176 H152 Au4 B8 F32 O8 P4 S4 -","4","1","","Zhou, Jiliang; Litle, Elishua D.; Gabbaï, François P","Isolation and reactivity of a gold(I) hydroxytrifluoroborate complex stabilized by anion-π<sup>+</sup> interactions.","Chemical communications (Cambridge, England)","2021","57","79","10154","10157","10.1039/d1cc04105c","","","1.54178","CuKα","","0.0482","0.0418","","","0.1053","0.1119","","","","","","1.038","","","","has coordinates","270362","2021-11-06","18:48:29",""
"7128903","9.1127","0.0009","12.1329","0.0012","19.0254","0.0019","72.006","0.003","88.804","0.004","77.425","0.004","1950.2","0.3","110","2","110","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H38 Au B Cl F4 O2 P -","- C47 H38 Au B Cl F4 O2 P -","- C94 H76 Au2 B2 Cl2 F8 O4 P2 -","2","1","","Zhou, Jiliang; Litle, Elishua D.; Gabbaï, François P","Isolation and reactivity of a gold(I) hydroxytrifluoroborate complex stabilized by anion-π<sup>+</sup> interactions.","Chemical communications (Cambridge, England)","2021","57","79","10154","10157","10.1039/d1cc04105c","","","0.71073","MoKα","","0.0202","0.0182","","","0.0444","0.0452","","","","","","1.046","","","","has coordinates,has disorder","270362","2021-11-06","18:48:29",""
"7128904","30.17","0.003","10.7619","0.001","25.281","0.003","90","","97.643","0.004","90","","8135.5","1.5","110","2","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H39.7 Au B2 F8.06 O3 P -","- C46 H39.7 Au B2 F8.06 O3 P -","- C368 H317.6 Au8 B16 F64.48 O24 P8 -","8","1","","Zhou, Jiliang; Litle, Elishua D.; Gabbaï, François P","Isolation and reactivity of a gold(I) hydroxytrifluoroborate complex stabilized by anion-π<sup>+</sup> interactions.","Chemical communications (Cambridge, England)","2021","57","79","10154","10157","10.1039/d1cc04105c","","","0.71073","MoKα","","0.0604","0.0491","","","0.1127","0.1171","","","","","","1.16","","","","has coordinates,has disorder","270362","2021-11-06","18:48:29",""
"7128905","19.211","0.002","8.5749","0.0009","12.3647","0.0013","90","","97.328","0.007","90","","2020.2","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Na O6 P -","- C22 H20 Na O6 P -","- C88 H80 Na4 O24 P4 -","4","1","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","0.71073","MoKα","","0.1092","0.049","","","0.1114","0.1348","","","","","","1.011","","","","has coordinates","269622","2021-10-06","13:49:08",""
"7128906","8.8577","0.0002","8.9307","0.0002","18.7699","0.0004","91.7","0.001","93.975","0.001","108.2","0.001","1405.06","0.05","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 Br N3 -","- C23 H20 Br N3 -","- C46 H40 Br2 N6 -","2","1","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","0.71073","MoKα","","0.0594","0.0464","","","0.1161","0.1212","","","","","","1.052","","","","has coordinates","269622","2021-10-06","13:49:09",""
"7128907","10.158","0.005","9.42","0.004","12.633","0.005","90","","108.94","0.02","90","","1143.4","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H24 I N O2 -","- C27 H24 I N O2 -","- C54 H48 I2 N2 O4 -","2","1","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","0.71073","MoKα","","0.0562","0.0544","","","0.1375","0.1386","","","","","","1.052","","","","has coordinates","269622","2021-10-06","13:49:09",""
"7128908","18.1178","0.0012","19.5762","0.0012","22.3911","0.0012","80.708","0.003","72.212","0.002","86.459","0.003","7462.1","0.8","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C44.92 H38.29 N3 O5.43 P -","- C44.9313 H38.2875 N3 O5.42813 P -","- C359.45 H306.3 N24 O43.4251 P8 -","8","4","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","0.71073","MoKα","","0.0928","0.0545","","","0.1377","0.1584","","","","","","1.032","","","","has coordinates,has disorder","269622","2021-10-06","13:49:09",""
"7128909","11.8508","0.0016","9.1039","0.0012","13.2298","0.0017","90","","115.219","0.006","90","","1291.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 I2 N O3 -","- C28 H27 I2 N O3 -","- C56 H54 I4 N2 O6 -","2","1","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","1.54178","CuKα","","0.0468","0.0427","","","0.1045","0.1088","","","","","","1.064","","","","has coordinates","269622","2021-10-06","13:49:09",""
"7128910","10.0422","0.0003","10.0422","0.0003","53.3248","0.0016","90","","90","","90","","5377.6","0.3","104","2","104","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C64 H52 N2 O4 -","- C64 H52 N2 O4 -","- C256 H208 N8 O16 -","4","0.5","","Thiele, Maike; Octa-Smolin, Frescilia; Thölke, Simon; Wölper, Christoph; Linders, Jürgen; Mayer, Christian; Haberhauer, Gebhard; Niemeyer, Jochen","A supramolecular double-helix based on complementary phosphate-guanidinium pairing.","Chemical communications (Cambridge, England)","2021","57","77","9842","9845","10.1039/d1cc04644f","","","1.54178","CuKα","","0.0478","0.0453","","","0.1187","0.1217","","","","","","1.028","","","","has coordinates,has disorder","269622","2021-10-06","13:49:09",""
"7128911","8.7397","0.0004","10.7629","0.0005","11.1283","0.0005","65.037","0.004","75.059","0.004","70.54","0.004","886.32","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- H32 K2 Ni2 O44 V10 -","- H32 K2 Ni2 O44 V10 -","- H32 K2 Ni2 O44 V10 -","1","0.5","","Jana, Debu; Kolli, Hema Kumari; Sabnam, Subhashree; Das, Samar K.","Efficient homogeneous electrocatalytic hydrogen evolution using a Ni-containing polyoxometalate catalyst.","Chemical communications (Cambridge, England)","2021","57","77","9910","9913","10.1039/d1cc03605j","","","0.71073","MoKα","","0.0771","0.0725","","","0.1967","0.2074","","","","","","1.042","","","","has coordinates","269623","2021-10-06","13:49:20",""
"7128912","71.01","0.004","16.0851","0.001","49.267","0.002","90","","99.2","0.005","90","","55549","5","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C258 H300 F24 N24 O64 Rh8 S8 -","- C241 H232 F3 N24 O22 Rh8 S -","- C1928 H1856 F24 N192 O176 Rh64 S8 -","8","1","","Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin","Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots.","Chemical communications (Cambridge, England)","2021","57","76","9772","9775","10.1039/d1cc03699h","","","1.54178","CuKα","","0.1506","0.104","","","0.2942","0.3509","","","","","","1.067","","","","has coordinates","269630","2021-10-06","13:51:49",""
"7128913","11.7168","0.0009","16.8296","0.0012","20.3839","0.0014","68.846","0.004","87.425","0.004","87.035","0.004","3742.1","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H84 F6 N4 O22 Rh2 S2 -","- C64 H62 F6 N4 O18 Rh2 S2 -","- C128 H124 F12 N8 O36 Rh4 S4 -","2","1","","Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin","Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots.","Chemical communications (Cambridge, England)","2021","57","76","9772","9775","10.1039/d1cc03699h","","","1.54178","CuKα","","0.0517","0.0447","","","0.1269","0.132","","","","","","1.046","","","","has coordinates,has disorder","269630","2021-10-06","13:51:56",""
"7128914","18.764","0.0013","20.0235","0.0012","23.0409","0.0015","111.167","0.004","104.102","0.004","94.488","0.004","7696.2","0.9","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C138 H172 F12 N14 O41 Rh4 S4 -","- C123 H118 F6 N12 O21 Rh4 S2 -","- C246 H236 F12 N24 O42 Rh8 S4 -","2","1","","Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin","Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots.","Chemical communications (Cambridge, England)","2021","57","76","9772","9775","10.1039/d1cc03699h","","","1.54178","CuKα","","0.1772","0.1095","","","0.2902","0.3584","","","","","","1","","","","has coordinates","269630","2021-10-06","13:51:58",""
"7128915","23.6578","0.0011","23.679","0.0011","23.8109","0.0011","119.776","0.002","98.285","0.002","91.895","0.002","11371.5","0.9","154","2","154","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H240 F18 N18 O52 Rh6 S6 -","- C186 H182 F15 N18 O30 Rh6 S5 -","- C372 H364 F30 N36 O60 Rh12 S10 -","2","1","","Wang, Qi-Li-Sha; Lin, Yue-Jian; Jin, Guo-Xin","Same knot, longer rope: altering ligand geometry provides control over nuclearity in self-assembled trefoil knots.","Chemical communications (Cambridge, England)","2021","57","76","9772","9775","10.1039/d1cc03699h","","","1.34138","GaKα","","0.1039","0.081","","","0.2032","0.2139","","","","","","1.056","","","","has coordinates,has disorder","269630","2021-10-06","13:51:58",""
"7128916","6.839","0.003","10.851","0.005","18.519","0.008","90","","90","","90","","1374.3","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- I Na7 O15 S3 -","- I Na7 O15 S3 -","- I4 Na28 O60 S12 -","4","1","","Ding, Mengmeng; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Na<sub>7</sub>(IO<sub>3</sub>)(SO<sub>4</sub>)<sub>3</sub>: the first noncentrosymmetric alkaline-metal iodate-sulfate with isolated [IO<sub>3</sub>] and [SO<sub>4</sub>] units.","Chemical communications (Cambridge, England)","2021","57","75","9598","9601","10.1039/d1cc03483a","","","0.71073","MoKα","","0.0751","0.05","","","0.0899","0.1008","","","","","","1.119","","","","has coordinates","269643","2021-10-06","13:56:34",""
"7128917","9.0367","0.001","13.9481","0.0014","14.746","0.002","90","","105.215","0.005","90","","1793.5","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 B F N4 O -","- C21 H18 B F N4 O -","- C84 H72 B4 F4 N16 O4 -","4","1","","Katzman, Benjamin D.; Maar, Ryan R.; Cappello, Daniela; Sattler, Madeleine O.; Boyle, Paul D.; Staroverov, Viktor N.; Gilroy, Joe B.","A strongly Lewis-acidic and fluorescent borenium cation supported by a tridentate formazanate ligand","Chemical Communications","2021","","","","","10.1039/D1CC03873G","","","1.54178","CuKα","","0.036","0.0333","","","0.0848","0.0867","","","","","","1.029","","","","has coordinates,has disorder","268331","2021-08-31","21:57:50",""
"7128918","17.113","0.006","20.345","0.007","15.711","0.006","90","","115.728","0.01","90","","4928","3","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H26 B2 F20 N4 O -","- C52 H26 B2 F20 N4 O -","- C208 H104 B8 F80 N16 O4 -","4","1","","Katzman, Benjamin D.; Maar, Ryan R.; Cappello, Daniela; Sattler, Madeleine O.; Boyle, Paul D.; Staroverov, Viktor N.; Gilroy, Joe B.","A strongly Lewis-acidic and fluorescent borenium cation supported by a tridentate formazanate ligand","Chemical Communications","2021","","","","","10.1039/D1CC03873G","","","0.71073","MoKα","","0.0478","0.0302","","","0.0703","0.0785","","","","","","1.018","","","","has coordinates,has disorder","268331","2021-08-31","21:57:51",""
"7128919","13.1699","0.0004","6.7473","0.0002","16.9652","0.0006","90","","94.13","0.001","90","","1503.63","0.08","170","2","170","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Fan, Junjie; Fu, Chunling; Wu, Xiaoyan; Ma, Shengming","Rh-Catalyzed cyclization of 2,3-allenoic acids in the presence of 2,3-allenols.","Chemical communications (Cambridge, England)","2021","57","80","10411","10414","10.1039/d1cc04367f","","","0.71073","MoKα","","0.0475","0.0387","","","0.099","0.106","","","","","","1.025","","","","has coordinates","270373","2021-11-06","18:51:51",""
"7128920","7.449","0.005","10.164","0.008","11.085","0.006","115.47","0.02","98.08","0.02","92.02","0.03","745.9","0.9","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F6 N2 O4 -","- C12 H10 F6 N2 O4 -","- C24 H20 F12 N4 O8 -","2","1","","Sawano, Takahiro; Matsui, Takeshi; Koga, Marina; Ishikawa, Eri; Takeuchi, Ryo","Iridium-catalyzed C3-selective asymmetric allylation of 7-azaindoles with secondary allylic alcohols.","Chemical communications (Cambridge, England)","2021","57","76","9684","9687","10.1039/d1cc03968g","","","0.71075","MoKα","","0.1356","0.0671","","","0.1853","0.2212","","","","","","1.049","","","","has coordinates","269634","2021-10-06","13:54:28",""
"7128921","8.928","0.005","17.983","0.01","9.771","0.006","90","","93.34","0.02","90","","1566.1","1.6","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 Br N2 -","- C17 H15 Br N2 -","- C68 H60 Br4 N8 -","4","2","","Sawano, Takahiro; Matsui, Takeshi; Koga, Marina; Ishikawa, Eri; Takeuchi, Ryo","Iridium-catalyzed C3-selective asymmetric allylation of 7-azaindoles with secondary allylic alcohols.","Chemical communications (Cambridge, England)","2021","57","76","9684","9687","10.1039/d1cc03968g","","","0.71075","MoKα","","0.092","0.0513","","","0.1209","0.14","","","","","","0.931","","","","has coordinates","269634","2021-10-06","13:54:28",""
"7128922","9.7351","0.0002","34.9337","0.0007","11.2629","0.0002","90","","95.467","0.001","90","","3812.9","0.13","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Al3 Cl2 N4 -","- C37 H49 Al3 Cl2 N4 -","- C148 H196 Al12 Cl8 N16 -","4","1","","Villegas-Escobar, Nery; Martínez, Javier; Matute, Ricardo A.; Saltarini, Sebastián; Daniliuc, Constantin G.; Gade, Lutz H.; Rojas, René S","Trapping an unusual pentacoordinate carbon atom in a neutral trialuminum complex.","Chemical communications (Cambridge, England)","2021","57","80","10327","10330","10.1039/d1cc04265c","","","1.54178","CuKα","","0.0466","0.0399","","","0.0995","0.1032","","","","","","1.082","","","","has coordinates,has disorder","270369","2021-11-06","18:51:03",""
"7128923","19.922","0.004","20.19","0.005","21.414","0.003","69.72","0.015","63.048","0.012","80.939","0.017","7202","3","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C263 H287 Cl21 N16 Ni4 S2 -","- C263 H287 Cl21 N16 Ni4 S2 -","- C263 H287 Cl21 N16 Ni4 S2 -","1","1","","Nishimura, Issei; Higashino, Tomohiro; Imahori, Hiroshi","Synthesis of thiophene-fused porphyrin dimers as effective π-extended helical chromophores.","Chemical communications (Cambridge, England)","2021","57","75","9606","9609","10.1039/d1cc04215g","","","0.71075","MoKα","","0.2511","0.1317","","","0.282","0.3652","","","","","","1.047","","","","has coordinates,has disorder","269640","2021-10-06","13:56:10",""
"7128924","8.123","0.005","8.21","0.005","10.595","0.005","100.833","0.005","110.172","0.005","90.315","0.005","649.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 B N4 O2 -","- C12 H15 B N4 O2 -","- C24 H30 B2 N8 O4 -","2","1","","Singh, Akansha; Kumar, Ravindra","Sustainable Passerini-tetrazole three component reaction (PT-3CR): selective synthesis of oxaborol-tetrazoles.","Chemical communications (Cambridge, England)","2021","57","76","9708","9711","10.1039/d1cc03256a","","","0.71073","MoKα","","0.0431","0.0398","","","0.1067","0.1099","","","","","","1.073","","","","has coordinates","269631","2021-10-06","13:52:10",""
"7128925","19.3179","0.0001","11.156","0.0001","27.3475","0.0002","90","","101.707","0.001","90","","5771.07","0.08","160","","160","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C65 H50 -","- C65 H50 -","- C260 H200 -","4","1","","Hu, Jinlian; Xiang, Qin; Xu, Jun; Xu, Zhanqiang; Chen, Guang; Sun, Zhe","Stable and twisted 5,6:12,13-dinaphthozethrene from angular π-extension.","Chemical communications (Cambridge, England)","2021","57","76","9712","9715","10.1039/d1cc04113d","","","1.54184","CuKα","","0.0515","0.0482","","","0.1465","0.1504","","","","","","1.023","","","","has coordinates","269636","2021-10-06","13:55:05",""
"7128926","13.38647","0.00013","14.66903","0.00016","18.7357","0.00019","108.071","0.0009","94.0455","0.0008","112.832","0.001","3146.07","0.07","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C61.5 H44 B Cl3 F24 N3 O P Pd -","- C61.501 H44.002 B Cl3.002 F24 N3 O P Pd -","- C123.002 H88.004 B2 Cl6.004 F48 N6 O2 P2 Pd2 -","2","1","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","0.71073","MoKα","","0.0688","0.0474","","","0.1069","0.1274","","","","","","1.124","","","","has coordinates,has disorder","268367","2021-09-02","21:58:40",""
"7128927","7.78647","0.00004","13.20388","0.00005","15.31398","0.00007","90","","104.07","0.0005","90","","1527.22","0.012","94","2","94","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C31 H34 Cl2 N3 O3 P Pd -","- C31 H34 Cl2 N3 O3 P Pd -","- C62 H68 Cl4 N6 O6 P2 Pd2 -","2","1","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0323","0.032","","","0.0876","0.0878","","","","","","1.144","","","","has coordinates,has disorder","268367","2021-09-02","21:58:40",""
"7128928","20.5675","0.0004","16.21405","0.00019","21.6642","0.0004","90","","108.286","0.002","90","","6859.8","0.2","95","2","95","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H33 Cl6 Cu N3 O P Pd -","- C30.5 H33 Cl6 Cu N3 O P Pd -","- C244 H264 Cl48 Cu8 N24 O8 P8 Pd8 -","8","2","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0857","0.081","","","0.2324","0.2378","","","","","","1.07","","","","has coordinates,has disorder","268367","2021-09-02","21:58:41",""
"7128929","18.3023","0.0003","24.7637","0.0003","21.0668","0.0004","90","","99.1506","0.0017","90","","9426.6","0.3","95","2","95","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93.7 H86.8 N8 O6 P2 Pd4 -","- C93.7 H86.8 N8 O6 P2 Pd4 -","- C374.8 H347.2 N32 O24 P8 Pd16 -","4","1","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0935","0.0646","","","0.1714","0.1932","","","","","","0.987","","","","has coordinates,has disorder","268367","2021-09-02","21:58:41",""
"7128930","23.1971","0.0003","31.5985","0.0005","10.45124","0.00016","90","","90","","90","","7660.7","0.2","93","2","93","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C90 H90 N8 O4 P2 Pd4 -","- C90 H90 N8 O4 P2 Pd4 -","- C360 H360 N32 O16 P8 Pd16 -","4","0.5","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0655","0.056","","","0.15","0.1564","","","","","","1.111","","","","has coordinates","268367","2021-09-02","21:58:41",""
"7128931","10.15573","0.00012","17.53056","0.00019","19.6874","0.0002","68.2328","0.001","84.5431","0.0009","84.2304","0.0009","3232.31","0.07","93","2","93","2","","","","","","","","10","P -1","-P 1","2","","","","- C127 H95.5 B2 Cl5 Cu2 F48 N6 O2 P2 Pd2 -","- C127 H95.5 B2 Cl5 Cu2 F48 N6 O2 P2 Pd2 -","- C127 H95.5 B2 Cl5 Cu2 F48 N6 O2 P2 Pd2 -","1","0.5","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","0.71073","MoKα","","0.0484","0.0375","","","0.0944","0.0993","","","","","","1.02","","","","has coordinates,has disorder","268367","2021-09-02","21:58:41",""
"7128932","14.63077","0.0001","18.4543","0.0002","27.6768","0.0002","72.6084","0.0008","86.4096","0.0006","71.5611","0.0008","6760.82","0.11","95","2","95","2","","","","","","","","7","P -1","-P 1","2","","","","- C162 H176 B2 N8 O7 P2 Pd4 -","- C162 H176 B2 N8 O7 P2 Pd4 -","- C324 H352 B4 N16 O14 P4 Pd8 -","2","1","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","1.54184","CuKα","","0.0512","0.0497","","","0.1367","0.138","","","","","","1.037","","","","has coordinates,has disorder","268367","2021-09-02","21:58:41",""
"7128933","10.34121","0.00011","20.0511","0.0002","28.2805","0.0003","90","","91.827","0.0009","90","","5861.06","0.11","94","2","94","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C120 H80 B2 Cu2 F48 N6 O2 P2 Pd2 -","- C120 H80 B2 Cu2 F48 N6 O2 P2 Pd2 -","- C240 H160 B4 Cu4 F96 N12 O4 P4 Pd4 -","2","0.5","","Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.","Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions","Chemical Communications","2021","","","","","10.1039/D1CC04212B","","x-ray","0.71073","MoKα","","0.035","0.0306","","","0.0805","0.0826","","","","","","1.036","","","","has coordinates,has disorder","268367","2021-09-02","21:58:41",""
"7128934","14.9375","0.0005","12.7705","0.0004","31.6136","0.001","90","","90","","90","","6030.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H43 Cl N4 Pt -","- C31 H43 Cl N4 Pt -","- C248 H344 Cl8 N32 Pt8 -","8","1","","He, Fengkai; Gourlaouen, Christophe; Pang, Huan; Braunstein, Pierre","Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt<sub>4</sub>(μ-H)(cod)<sub>4</sub>]BF<sub>4</sub>.","Chemical communications (Cambridge, England)","2021","57","78","10039","10042","10.1039/d1cc03673d","","","0.71073","MoKα","","0.0537","0.0332","","","0.0701","0.0796","","","","","","1.07","","","","has coordinates,has disorder","269604","2021-10-06","13:42:15",""
"7128935","64.377","0.003","9.8222","0.0004","14.9522","0.0005","90","","101.641","0.001","90","","9260.2","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H61 Cl N4 O4 Pt -","- C49 H61 Cl N4 O4 Pt -","- C392 H488 Cl8 N32 O32 Pt8 -","8","1","","He, Fengkai; Gourlaouen, Christophe; Pang, Huan; Braunstein, Pierre","Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt<sub>4</sub>(μ-H)(cod)<sub>4</sub>]BF<sub>4</sub>.","Chemical communications (Cambridge, England)","2021","57","78","10039","10042","10.1039/d1cc03673d","","","0.71073","MoKα","","0.0244","0.0196","","","0.0379","0.04","","","","","","1.07","","","","has coordinates,has disorder","269604","2021-10-06","13:42:15",""
"7128936","21.3229","0.0016","12.7436","0.0012","15.3117","0.0014","90","","132.571","0.003","90","","3064.1","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H51 B F4 Pt4 -","- C32 H48 B F4 Pt4 -","- C128 H192 B4 F16 Pt16 -","4","0.5","","He, Fengkai; Gourlaouen, Christophe; Pang, Huan; Braunstein, Pierre","Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt<sub>4</sub>(μ-H)(cod)<sub>4</sub>]BF<sub>4</sub>.","Chemical communications (Cambridge, England)","2021","57","78","10039","10042","10.1039/d1cc03673d","","","0.71073","MoKα","","0.0908","0.0637","","","0.1554","0.1711","","","","","","1.03","","","","has coordinates","269604","2021-10-06","13:42:16",""
"7128937","14.6958","0.0008","13.8722","0.0007","12.7246","0.0006","90","","112.646","0.002","90","","2394.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Cl N4 Pt -","- C22 H35 Cl N4 Pt -","- C88 H140 Cl4 N16 Pt4 -","4","1","","He, Fengkai; Gourlaouen, Christophe; Pang, Huan; Braunstein, Pierre","Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt<sub>4</sub>(μ-H)(cod)<sub>4</sub>]BF<sub>4</sub>.","Chemical communications (Cambridge, England)","2021","57","78","10039","10042","10.1039/d1cc03673d","","","0.71073","MoKα","","0.0276","0.0204","","","0.0358","0.0386","","","","","","1.069","","","","has coordinates","269604","2021-10-06","13:42:16",""
"7128938","35.5582","0.0006","28.7216","0.0005","15.5658","0.0004","90","","90","","90","","15897.2","0.6","100.01","0.1","100.01","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","(C16H72N2)WS4","","- C32 H72 N2 S4 W -","- C32 H72 N2 S4 W -","- C512 H1152 N32 S64 W16 -","16","1","","Thomas, Shibin; Greenacre, Victoria K.; Smith, Danielle E.; Noori, Yasir J.; Abdelazim, Nema M.; Hector, Andrew L.; de Groot, C. H. Kees; Levason, William; Bartlett, Philip N.; Reid, Gillian","Tungsten disulfide thin films <i>via</i> electrodeposition from a single source precursor.","Chemical communications (Cambridge, England)","2021","57","79","10194","10197","10.1039/d1cc03297f","","x-ray","0.71073","MoKα","","0.0623","0.0572","","","0.1408","0.1446","","","","","","1.054","","","","has coordinates","270365","2021-11-06","18:49:25",""
"7128939","20.3851","0.001","12.4673","0.0005","8.0484","0.0004","90","","92.394","0.003","90","","2043.69","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N O4 S -","- C23 H18 F3 N O4 S -","- C92 H72 F12 N4 O16 S4 -","4","1","","Vygranenko, Kateryna V.; Poronik, Yevgen M.; Wrzosek, Antoni; Szewczyk, Adam; Gryko, Daniel T.","Red emissive sulfone-rhodols as mitochondrial imaging agents.","Chemical communications (Cambridge, England)","2021","57","63","7782","7785","10.1039/d1cc02687a","","","1.54178","CuKα","","0.1516","0.0673","","","0.1486","0.1728","","","","","","1.023","","","","has coordinates","268481","2021-09-04","12:42:58",""
"7128940","10.0555","0.0004","11.6803","0.0005","18.1925","0.0007","90","","100.954","0.0018","90","","2097.8","0.15","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-2-yl)-4-methyl-2-(phenylthio)quinoline","","- C28 H21 N S -","- C28 H21 N S -","- C112 H84 N4 S4 -","4","2","","Cardenas, Mariel M.; Saputra, Mirza A.; Gordon, Deane A.; Sanchez, Andrea N.; Yamamoto, Nobuyuki; Gustafson, Jeffrey L.","Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolines <i>via</i> S<sub>N</sub>Ar.","Chemical communications (Cambridge, England)","2021","57","78","10087","10090","10.1039/d1cc04335h","","","0.71073","MoKα","","0.0381","0.0373","","","0.0916","0.0922","","","","","","1.171","","","","has coordinates","269601","2021-10-06","13:41:21",""
"7128941","9.8999","0.0002","13.7881","0.0003","27.3121","0.0006","90","","90","","90","","3728.12","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-fluoro-5-(trifluoromethyl)phenyl)-4-methyl-2-(phenylthio)quinoline","","- C23 H15 F4 N S -","- C23 H15 F4 N S -","- C184 H120 F32 N8 S8 -","8","2","","Cardenas, Mariel M.; Saputra, Mirza A.; Gordon, Deane A.; Sanchez, Andrea N.; Yamamoto, Nobuyuki; Gustafson, Jeffrey L.","Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolines <i>via</i> S<sub>N</sub>Ar.","Chemical communications (Cambridge, England)","2021","57","78","10087","10090","10.1039/d1cc04335h","","","0.71073","MoKα","","0.0226","0.0223","","","0.0591","0.0594","","","","","","1.058","","","","has coordinates,has disorder","269601","2021-10-06","13:41:21",""
"7128942","16.0974","0.001","11.1555","0.0008","17.8712","0.0011","90","","90","","90","","3209.2","0.4","298","2","298.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H12 Cl N3 O2 S -","- C15 H12 Cl N3 O2 S -","- C120 H96 Cl8 N24 O16 S8 -","8","1","","Zheng, Long; Wang, Zhanjing; Li, Chen; Wu, Yong; Liu, Zhaohong; Ning, Yongquan","The azidosulfonylation of terminal alkynes leading to β-azidovinyl sulfones.","Chemical communications (Cambridge, England)","2021","57","77","9874","9877","10.1039/d1cc04268h","","","0.71073","MoKα","","0.126","0.0592","","","0.131","0.1603","","","","","","1.049","","","","has coordinates","269628","2021-10-06","13:50:23",""
"7128943","9.4348","0.0004","10.8834","0.0005","24.5503","0.0009","90","","90","","90","","2520.89","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C124 H96 N16 O8 -","4","1","","Yan, Hang; Jia, Shi-Kun; Geng, Yu-Huan; Han, Jiao-Jiao; Hua, Yuan-Zhao; Wang, Min-Can","Dinuclear zinc-catalyzed asymmetric Friedel-Crafts alkylation/cyclization of 3-aminophenols with α,α-dicyanoolefins.","Chemical communications (Cambridge, England)","2021","57","77","9854","9857","10.1039/d1cc04177k","","","1.54184","CuKα","","0.0472","0.0404","","","0.0993","0.1049","","","","","","1.053","","","","has coordinates","269621","2021-10-06","13:48:31",""
"7128944","17.401","0.008","5.9984","0.0013","18.889","0.006","90","","115.06","0.05","90","","1786","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 Br O5 -","- C19 H15 Br O5 -","- C76 H60 Br4 O20 -","4","2","","Dzieszkowski, Krzysztof; Słotwiński, Michał; Rafińska, Katarzyna; Muzioł, Tadeusz M; Rafiński, Zbigniew","NHC-catalyzed enantioselective C2-functionalization of 3-hydroxychromenones <i>via</i> α,β-unsaturated acyl azoliums.","Chemical communications (Cambridge, England)","2021","57","78","9999","10002","10.1039/d1cc03708k","","x-ray","0.71073","MoKα","","0.1233","0.0551","","","0.1122","0.1451","","","","","","1.004","","","","has coordinates,has disorder","269602","2021-10-06","13:41:30",""
"7128945","6.995","0.005","8.942","0.006","9.23","0.006","69.122","0.005","89.652","0.006","83.064","0.006","535.1","0.6","180","2","179.98","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 B2 N -","- C12 H13 B2 N -","- C24 H26 B4 N2 -","2","1","","Dong, Jiaqi; Zhang, Lutao; Tan, Dehui; Wu, Jianfeng; Wang, Nan; Mellerup, Soren K.; Wang, Suning; Yang, Deng-Tao","Formation of an air-stable diborane <i>via</i> a stepwise BH<sub>3</sub> addition of pyrido[1,2-<i>a</i>]isoindole with H<sub>2</sub> evolution.","Chemical communications (Cambridge, England)","2021","57","77","9882","9885","10.1039/d1cc04228a","","","0.71073","MoKα","","0.0964","0.0562","","","0.1147","0.1351","","","","","","1.075","","","","has coordinates","269627","2021-10-06","13:50:15",""
"7128946","14.8879","0.0004","16.0972","0.0004","19.9238","0.0006","79.1823","0.0016","80.6461","0.0016","65.3053","0.0014","4242.1","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H70 N2 O2 P2 Pt -","- C128 H70 N2 O2 P2 Pt -","- C256 H140 N4 O4 P4 Pt2 -","2","1","","Gralinski, Steven R.; Roy, Mrittika; Baldauf, Lilia M.; Olmstead, Marilyn M.; Balch, Alan L.","Introduction of a (Ph<sub>3</sub>P)<sub>2</sub>Pt group into the rim of an open-cage fullerene by breaking a carbon-carbon bond.","Chemical communications (Cambridge, England)","2021","57","79","10218","10221","10.1039/d1cc04336f","","","0.71073","MoKα","","0.0899","0.0733","","","0.172","0.1827","","","","","","1.161","","","","has coordinates,has disorder","270366","2021-11-06","18:49:35",""
"7128947","14.7186","0.0012","16.4565","0.0014","19.6359","0.0016","79.689","0.002","81.529","0.002","65.546","0.002","4245.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H62 N2 O2 P2 Pt -","- C134 H62 N2 O2 P2 Pt -","- C268 H124 N4 O4 P4 Pt2 -","2","1","","Gralinski, Steven R.; Roy, Mrittika; Baldauf, Lilia M.; Olmstead, Marilyn M.; Balch, Alan L.","Introduction of a (Ph<sub>3</sub>P)<sub>2</sub>Pt group into the rim of an open-cage fullerene by breaking a carbon-carbon bond.","Chemical communications (Cambridge, England)","2021","57","79","10218","10221","10.1039/d1cc04336f","","","0.71073","MoKα","","0.094","0.0582","","","0.1342","0.1451","","","","","","1.101","","","","has coordinates,has disorder","270366","2021-11-06","18:49:36",""
"7128948","10.7992","0.0006","10.9972","0.0005","11.7181","0.0007","93.977","0.004","106.212","0.005","112.74","0.005","1207.49","0.13","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O7 -","- C27 H29 N O7 -","- C54 H58 N2 O14 -","2","1","","Li, Xiaohu; Huang, You","Phosphine-catalyzed sequential (2+3)/(2+4) annulation of γ-vinyl allenoates: access to the synthesis of chromeno[4,3-<i>b</i>]pyrroles.","Chemical communications (Cambridge, England)","2021","57","77","9934","9937","10.1039/d1cc04199a","","x-ray","0.71073","MoKα","","0.0664","0.0472","","","0.1073","0.1182","","","","","","1.038","","","","has coordinates","269625","2021-10-06","13:49:53",""
"7128949","8.5865","0.0002","14.3767","0.0004","15.4328","0.0003","90","","98.973","0.001","90","","1881.8","0.08","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 S -","- C23 H18 N2 O2 S -","- C92 H72 N8 O8 S4 -","4","1","","Wan, Jin-Lin; Cui, Jian-Feng; Zhong, Wei-Qiang; Huang, Jing-Mei","Iminyl-radicals by electrochemical decarboxylation of α-imino-oxy acids: construction of indole-fused polycyclics.","Chemical communications (Cambridge, England)","2021","57","79","10242","10245","10.1039/d1cc03891e","","","0.71073","MoKα","","0.043","0.036","","","0.0893","0.0954","","","","","","1.04","","","","has coordinates","270364","2021-11-06","18:49:13",""
"7128950","3.9127","0.0001","28.5829","0.0008","10.3664","0.0003","90","","92.863","0.001","90","","1157.89","0.06","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N O -","- C16 H11 N O -","- C64 H44 N4 O4 -","4","1","","Shen, Xiao-Qin; Yan, Xiao-Wei; Zhang, Xing-Guo","A palladium-catalyzed ring-expansion reaction of cyclobutanols with 2-haloanilines leading to benzazepines and quinolines.","Chemical communications (Cambridge, England)","2021","57","79","10234","10237","10.1039/d1cc04395a","","","0.71073","MoKα","","0.0432","0.036","","","0.0885","0.094","","","","","","1.05","","","","has coordinates","270368","2021-11-06","18:50:18",""
"7128951","19.0123","0.0005","19.0123","0.0005","12.4699","0.0004","90","","90","","120","","3903.58","0.19","100","2","100","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","1","0.166667","","Magott, Michał; Pinkowicz, Dawid","Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.","Chemical communications (Cambridge, England)","2021","57","77","9926","9929","10.1039/d1cc03870b","","","0.71073","MoKα","","0.0708","0.0534","","","0.1053","0.1125","","","","","","1.039","","","","has coordinates","269624","2021-10-06","13:49:31",""
"7128952","18.6385","0.0004","18.6385","0.0004","12.3021","0.0003","90","","90","","120","","3701.11","0.14","30","2","30","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C22.8 H30 Mn1.2 N10.8 W0.6 -","- C22.8 H30 Mn1.2 N10.8 W0.6 -","- C114 H150 Mn6 N54 W3 -","5","0.833333","","Magott, Michał; Pinkowicz, Dawid","Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.","Chemical communications (Cambridge, England)","2021","57","77","9926","9929","10.1039/d1cc03870b","","","0.6889","synchrotron","","0.0774","0.0629","","","0.1657","0.1762","","","","","","1.059","","","","has coordinates,has disorder","269624","2021-10-06","13:49:33",""
"7128953","19.0231","0.0005","19.0231","0.0005","12.4374","0.0004","90","","90","","120","","3897.83","0.19","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","- C114 H150 Mn6 N54 O30 W3 -","1","0.166667","","Magott, Michał; Pinkowicz, Dawid","Chiral porous CN-bridged coordination polymer mimicking MOF-74 and showing magnetization photoswitching.","Chemical communications (Cambridge, England)","2021","57","77","9926","9929","10.1039/d1cc03870b","","","0.71073","MoKα","","0.0436","0.0403","","","0.0911","0.0929","","","","","","1.083","","","","has coordinates","269624","2021-10-06","13:49:33",""
"7128954","22.4855","0.001","22.5246","0.0009","25.9711","0.0013","65.278","0.005","69.004","0.004","67.104","0.004","10701.9","1","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C360 H278 B8 N24 Pd6 S12 -","- C360 H278 B8 N24 Pd6 S12 -","- C360 H278 B8 N24 Pd6 S12 -","1","0.5","","Li, Ru-Jin; Marcus, Adam; Fadaei-Tirani, Farzaneh; Severin, Kay","Orientational self-sorting: formation of structurally defined Pd<sub>4</sub>L<sub>8</sub> and Pd<sub>6</sub>L<sub>12</sub> cages from low-symmetry dipyridyl ligands.","Chemical communications (Cambridge, England)","2021","57","78","10023","10026","10.1039/d1cc03828a","","x-ray","1.54184","CuKα","","0.2797","0.2192","","","0.5045","0.5476","","","","","","1.899","","","","has coordinates","269600","2021-10-06","13:41:05",""
"7128955","30.152","0.0005","39.3021","0.001","33.998","0.0006","90","","90","","90","","40288.9","1.4","140","0.1","140","0.1","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C176 H136 B9 F28 N16 Na Pd4 -","- C176 H136 B9 F28 N16 Na Pd4 -","- C1408 H1088 B72 F224 N128 Na8 Pd32 -","8","0.5","","Li, Ru-Jin; Marcus, Adam; Fadaei-Tirani, Farzaneh; Severin, Kay","Orientational self-sorting: formation of structurally defined Pd<sub>4</sub>L<sub>8</sub> and Pd<sub>6</sub>L<sub>12</sub> cages from low-symmetry dipyridyl ligands.","Chemical communications (Cambridge, England)","2021","57","78","10023","10026","10.1039/d1cc03828a","","x-ray","1.54184","CuKα","","0.128","0.0985","","","0.2831","0.3227","","","","","","1.032","","","","has coordinates,has disorder","269600","2021-10-06","13:41:09",""
"7128956","8.4801","0.0013","8.4744","0.0013","10.9285","0.0017","105.368","0.005","101.641","0.006","94.3","0.006","734.8","0.2","193","2","193","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 Na2 O27 V6 -","- C10 H22 Na2 O27 V6 -","- C10 H22 Na2 O27 V6 -","1","0.5","","Wu, Pingfan; Li, Jincheng; Xiao, Zicheng; Zhao, Yanchao; Wang, Yu; Xiao, Bowen; Huang, Bo","Ir-based electrocatalysts promoted by TME-substituted polyoxovanadate-derived vanadium carbide for efficient hydrogen evolution and oxygen evolution.","Chemical communications (Cambridge, England)","2021","57","80","10395","10398","10.1039/d1cc03559b","","","1.34138","GaKα","","0.0537","0.0502","","","0.1449","0.1486","","","","","","1.122","","","","has coordinates","270376","2021-11-06","18:52:36",""
"7128957","6.6813","0.0007","9.1526","0.0009","12.8079","0.0013","71.835","0.008","78.233","0.009","71.616","0.008","701.34","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O6 -","- C16 H13 N3 O6 -","- C32 H26 N6 O12 -","2","1","","Yan, Yong; Henfling, Stefan; Zhang, Ning-Ning; Krautscheid, Harald","Semiconductive coordination polymers with continuous π-π interactions and defined crystal structures.","Chemical communications (Cambridge, England)","2021","57","80","10407","10410","10.1039/d1cc03333f","","","1.54186","CuKα","","0.087","0.06","","","0.1456","0.1575","","","","","","1.021","","","","has coordinates","270372","2021-11-06","18:51:42",""
"7128958","12.2948","0.0008","6.545","0.0003","16.9823","0.0009","90","","104.89","0.005","90","","1320.67","0.13","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N2 O8 Sr -","- C14 H8 N2 O8 Sr -","- C56 H32 N8 O32 Sr4 -","4","1","","Yan, Yong; Henfling, Stefan; Zhang, Ning-Ning; Krautscheid, Harald","Semiconductive coordination polymers with continuous π-π interactions and defined crystal structures.","Chemical communications (Cambridge, England)","2021","57","80","10407","10410","10.1039/d1cc03333f","","","1.54186","CuKα","","0.0666","0.0547","","","0.1495","0.1592","","","","","","1.071","","","","has coordinates,has disorder","270372","2021-11-06","18:51:42",""
"7128959","7.4711","0.0003","8.7536","0.0004","14.0801","0.0007","78.791","0.004","82.589","0.004","67.238","0.003","831.44","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N3 O7 -","- C18 H15 N3 O7 -","- C36 H30 N6 O14 -","2","1","","Yan, Yong; Henfling, Stefan; Zhang, Ning-Ning; Krautscheid, Harald","Semiconductive coordination polymers with continuous π-π interactions and defined crystal structures.","Chemical communications (Cambridge, England)","2021","57","80","10407","10410","10.1039/d1cc03333f","","","1.54186","CuKα","","0.1151","0.0759","","","0.2285","0.2537","","","","","","0.975","","","","has coordinates","270372","2021-11-06","18:51:42",""
"7128960","12.1377","0.0013","6.412","0.0005","16.7906","0.0016","90","","105.11","0.008","90","","1261.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca N2 O8 -","- C14 H8 Ca N2 O8 -","- C56 H32 Ca4 N8 O32 -","4","1","","Yan, Yong; Henfling, Stefan; Zhang, Ning-Ning; Krautscheid, Harald","Semiconductive coordination polymers with continuous π-π interactions and defined crystal structures.","Chemical communications (Cambridge, England)","2021","57","80","10407","10410","10.1039/d1cc03333f","","","1.54186","CuKα","","0.0436","0.0338","","","0.0878","0.0935","","","","","","1.086","","","","has coordinates","270372","2021-11-06","18:51:42",""
"7128961","24.7024","0.0015","33.182","0.002","38.8512","0.0018","102.791","0.003","103.733","0.002","90.602","0.003","30100","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C149 H301 Ag71 F12 P2 S31 Sb2 -","- C149 H301 Ag71 F12 P2 S31 Sb2 -","- C596 H1204 Ag284 F48 P8 S124 Sb8 -","4","2","","Zhou, Manman; Bao, Yizheng; Jin, Shan; Wen, Shuaishuai; Chen, Shuang; Zhu, Manzhou","[Ag<sub>71</sub>(S-<sup><i>t</i></sup>Bu)<sub>31</sub>(Dppm)](SbF<sub>6</sub>)<sub>2</sub>: an intermediate-sized metalloid silver nanocluster containing a building block of Ag<sub>64</sub>.","Chemical communications (Cambridge, England)","2021","57","80","10383","10386","10.1039/d1cc04934h","","","1.54186","CuKα","","0.0676","0.0458","","","0.0805","0.0941","","","","","","1.079","","","","has coordinates","270371","2021-11-06","18:51:32",""
"7128962","13.262","0.006","26.316","0.013","15.453","0.008","90","","103.455","0.006","90","","5245","4","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 B2 F8 Fe N12 -","- C48 H40 B2 F8 Fe N12 -","- C192 H160 B8 F32 Fe4 N48 -","4","1","","Shiga, Takuya; Tachibana, Minami; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Oshio, Hiroki; Nihei, Masayuki","A ring of grids: a giant spin-crossover cluster","Chemical Communications","2021","","","","","10.1039/D1CC04346C","","","0.71073","MoKα","","0.2307","0.1529","","","0.4327","0.477","","","","","","1.507","","","","has coordinates","269114","2021-09-13","21:57:53",""
"7128963","13.1659","0.0009","25.8307","0.0014","15.1275","0.001","90","","103.183","0.002","90","","5009","0.5","20","2","20","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 B2 F8 Fe N12 -","- C48 H40 B2 F8 Fe N12 -","- C192 H160 B8 F32 Fe4 N48 -","4","1","","Shiga, Takuya; Tachibana, Minami; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Oshio, Hiroki; Nihei, Masayuki","A ring of grids: a giant spin-crossover cluster","Chemical Communications","2021","","","","","10.1039/D1CC04346C","","","1","synchrotron","","0.2126","0.1002","","","0.2525","0.2881","","","","","","0.854","","","","has coordinates","269114","2021-09-13","21:57:54",""
"7128964","13.1562","0.0006","25.4851","0.001","14.9807","0.0007","90","","104.027","0.001","90","","4873.1","0.4","20","2","20","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 B2 F8 Fe N12 -","- C48 H40 B2 F8 Fe N12 -","- C192 H160 B8 F32 Fe4 N48 -","4","1","","Shiga, Takuya; Tachibana, Minami; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Oshio, Hiroki; Nihei, Masayuki","A ring of grids: a giant spin-crossover cluster","Chemical Communications","2021","","","","","10.1039/D1CC04346C","","","1","synchrotron","","0.1499","0.0918","","","0.2289","0.2532","","","","","","0.947","","","","has coordinates,has disorder","269114","2021-09-13","21:57:54",""
"7128965","18.097","0.004","36.464","0.009","62.104","0.015","73.262","0.002","88.26","0.002","87.385","0.002","39198","16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C582 H468 B4 F16 Fe20 N146 O2 -","- C582 H468 B4 F16 Fe20 N146 O2 -","- C1164 H936 B8 F32 Fe40 N292 O4 -","2","1","","Shiga, Takuya; Tachibana, Minami; Sagayama, Hajime; Kumai, Reiji; Newton, Graham N.; Oshio, Hiroki; Nihei, Masayuki","A ring of grids: a giant spin-crossover cluster","Chemical Communications","2021","","","","","10.1039/D1CC04346C","","","0.71073","MoKα","","0.2459","0.1186","","","0.3262","0.397","","","","","","1.034","","","","has coordinates","269114","2021-09-13","21:57:54",""
"7128966","9.7754","0.0003","16.4149","0.0005","9.7376","0.0003","90","","102.26","0.003","90","","1526.88","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","di-tert-butyl 1-(trifluoromethyl)hydrazine-1,2-dicarboxylate","","- C11 H19 F3 N2 O4 -","- C11 H19 F3 N2 O4 -","- C44 H76 F12 N8 O16 -","4","1","","Cao, Tingting; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoît","Synthesis of <i>N</i>-CF<sub>3</sub> hydrazines through radical trifluoromethylation of azodicarboxylates.","Chemical communications (Cambridge, England)","2021","57","80","10351","10354","10.1039/d1cc04538e","","","0.71073","MoKα","","0.0445","0.0373","","","0.0923","0.0961","","","","","","1.05","","","","has coordinates","270370","2021-11-06","18:51:12",""
"7128967","4.977","0.0003","7.7308","0.0006","11.6315","0.0012","90","","90.771","0.007","90","","447.5","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","'(S)-1-oxo-1-(2-(trifluoromethyl)hydrazineyl)propan-2-aminium chloride'","","- C4 H9 Cl F3 N3 O -","- C4 H9 Cl F3 N3 O -","- C8 H18 Cl2 F6 N6 O2 -","2","1","","Cao, Tingting; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoît","Synthesis of <i>N</i>-CF<sub>3</sub> hydrazines through radical trifluoromethylation of azodicarboxylates.","Chemical communications (Cambridge, England)","2021","57","80","10351","10354","10.1039/d1cc04538e","","","0.71073","MoKα","","0.0508","0.0389","","","0.0894","0.0953","","","","","","1.025","","","","has coordinates","270370","2021-11-06","18:51:12",""
"7128968","5.128","0.003","27.296","0.013","15.794","0.009","90","","95.556","0.012","90","","2200","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","'benzyl (S)-(1-oxo-1-(1-(trifluoromethyl)hydrazineyl)propan-2-yl)carbamate'","","- C12 H14.67 F3 N3 O3.33 -","- C12 H14.6667 F3 N3 O3.33333 -","- C72 H88 F18 N18 O20 -","6","3","","Cao, Tingting; Retailleau, Pascal; Milcent, Thierry; Crousse, Benoît","Synthesis of <i>N</i>-CF<sub>3</sub> hydrazines through radical trifluoromethylation of azodicarboxylates.","Chemical communications (Cambridge, England)","2021","57","80","10351","10354","10.1039/d1cc04538e","","","1.54187","CuKα","","0.1368","0.0891","","","0.2072","0.2454","","","","","","0.923","","","","has coordinates","270370","2021-11-06","18:51:12",""
"7128969","15.984","0.0009","12.2827","0.0007","10.0356","0.0005","90","","94.87","0.002","90","","1963.14","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C88 H112 N8 O8 -","4","1","","Giri, Chandan Kumar; Dana, Suman; Baidya, Mahiuddin","Ruthenium(II)-catalyzed C-H activation and (4+2) annulation of aromatic hydroxamic acid esters with allylic amides.","Chemical communications (Cambridge, England)","2021","57","81","10536","10539","10.1039/d1cc04422b","","","0.71073","MoKα","","0.0776","0.0592","","","0.1564","0.1841","","","","","","1.109","","","","has coordinates","270358","2021-11-06","18:47:07",""
"7128970","16.1915","0.0004","16.1915","0.0004","4.0757","0.0001","90","","90","","90","","1068.5","0.05","1.85","","1.85","","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C7 H5 Cl N3 Se4 -","- C7 H5 Cl N3 Se4 -","- C28 H20 Cl4 N12 Se16 -","4","0.5","","Robertson, Craig M.; Winter, Stephen M.; Howard, Judith A. K.; Probert, Michael R.; Oakley, Richard T.","Low temperature insights into the crystal and magnetic structure of a neutral radical ferromagnet.","Chemical communications (Cambridge, England)","2021","57","79","10238","10241","10.1039/d1cc03842g","","","0.71073","MoKα","","0.0358","0.0252","","","0.0408","0.0431","","","","","","1.049","","","","has coordinates","270360","2021-11-06","18:48:08",""
"7128971","7.3621","0.0003","16.4766","0.0007","11.3205","0.0005","90","","93.878","0.002","90","","1370.06","0.1","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 B2 S2 -","- C30 H34 B2 S2 -","- C60 H68 B4 S4 -","2","0.5","","Sa, Shreenibasa; Murali, Anna Chandrasekar; Nayak, Prakash; Venkatasubbaiah, Krishnan","Thiophene-fused boracycles as photoactive analogues of diboraanthracenes.","Chemical communications (Cambridge, England)","2021","57","79","10170","10173","10.1039/d1cc03323a","","","0.71073","MoKα","","0.061","0.0467","","","0.1309","0.1429","","","","","","1.022","","","","has coordinates","270361","2021-11-06","18:48:16",""
"7128972","10.54815","0.00016","14.5492","0.0002","8.34333","0.00015","90","","97.4946","0.0016","90","","1269.49","0.03","297.6","0.8","297.6","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B2 S2 -","- C28 H30 B2 S2 -","- C56 H60 B4 S4 -","2","0.5","","Sa, Shreenibasa; Murali, Anna Chandrasekar; Nayak, Prakash; Venkatasubbaiah, Krishnan","Thiophene-fused boracycles as photoactive analogues of diboraanthracenes.","Chemical communications (Cambridge, England)","2021","57","79","10170","10173","10.1039/d1cc03323a","","x-ray","1.54184","CuKα","","0.0749","0.068","","","0.1955","0.203","","","","","","1.112","","","","has coordinates","270361","2021-11-06","18:48:16",""
"7128973","8.24253","0.00009","10.98466","0.00011","12.92511","0.00013","111.405","0.001","93.4027","0.0008","104.902","0.0009","1037.52","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Bhat, Aabid; Tucker, Nathan; Lin, Jian-Bin; Grover, Huck","Stereoselective copper-catalyzed heteroarene C-H functionalization/Michael-type annulation cascade with α-diazocarbonyls.","Chemical communications (Cambridge, England)","2021","57","81","10556","10559","10.1039/d1cc04590c","","x-ray","1.54184","CuKα","","0.0333","0.0324","","","0.0818","0.0825","","","","","","1.037","","","","has coordinates","270359","2021-11-06","18:47:22",""
"7128974","8.1806","0.0003","11.5207","0.0003","12.2742","0.0002","70.006","0.002","77.003","0.002","88.377","0.003","1057.73","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O7 -","- C22 H25 N O7 -","- C44 H50 N2 O14 -","2","1","","Bhat, Aabid; Tucker, Nathan; Lin, Jian-Bin; Grover, Huck","Stereoselective copper-catalyzed heteroarene C-H functionalization/Michael-type annulation cascade with α-diazocarbonyls.","Chemical communications (Cambridge, England)","2021","57","81","10556","10559","10.1039/d1cc04590c","","x-ray","1.54184","CuKα","","0.0434","0.0402","","","0.1089","0.1122","","","","","","1.079","","","","has coordinates,has disorder","270359","2021-11-06","18:47:25",""
"7128975","13.27378","0.00013","17.12971","0.00015","9.945","0.00009","90","","104.315","0.001","90","","2191.04","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C92 H108 N4 O28 -","4","1","","Bhat, Aabid; Tucker, Nathan; Lin, Jian-Bin; Grover, Huck","Stereoselective copper-catalyzed heteroarene C-H functionalization/Michael-type annulation cascade with α-diazocarbonyls.","Chemical communications (Cambridge, England)","2021","57","81","10556","10559","10.1039/d1cc04590c","","x-ray","1.54184","CuKα","","0.0461","0.0402","","","0.1027","0.1069","","","","","","1.06","","","","has coordinates","270359","2021-11-06","18:47:25",""
"7128976","9.2549","0.0005","10.9358","0.0004","11.8353","0.0005","70.812","0.004","83.459","0.004","69.525","0.004","1059.83","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C50 H50 N2 O10 -","2","1","","Bhat, Aabid; Tucker, Nathan; Lin, Jian-Bin; Grover, Huck","Stereoselective copper-catalyzed heteroarene C-H functionalization/Michael-type annulation cascade with α-diazocarbonyls.","Chemical communications (Cambridge, England)","2021","57","81","10556","10559","10.1039/d1cc04590c","","x-ray","1.54184","CuKα","","0.0504","0.0436","","","0.1161","0.1217","","","","","","1.074","","","","has coordinates","270359","2021-11-06","18:47:25",""
"7128977","13.7019","0.0013","13.9995","0.0012","21.143","0.002","74.258","0.005","79.162","0.005","63.495","0.004","3482.7","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Zn-TDA","","- C62 H52 N10 O15 Zn3 -","- C62 H52 N10 O15 Zn3 -","- C124 H104 N20 O30 Zn6 -","2","1","","Li, Yang; Tian, Xueqin; Jiang, Weiwei; Wu, Pengyan; Li, Han-Shu; Wang, Man; Lin, Chen; Wang, Jian","Amino and triazole-containing metal-organic frameworks for highly efficient CO<sub>2</sub> fixation.","Chemical communications (Cambridge, England)","2021","57","82","10803","10806","10.1039/d1cc04371d","","","0.71073","MoKα","","0.0674","0.0443","","","0.1201","0.1276","","","","","","1.026","","","","has coordinates","270401","2021-11-06","19:00:24",""
"7128978","11.3536","0.0008","9.6592","0.0007","16.8001","0.0012","90","","107.174","0.003","90","","1760.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","cs1av_2l","","","- C18 H18 Br N O3 S -","- C18 H18 Br N O3 S -","- C72 H72 Br4 N4 O12 S4 -","4","1","","Velasco-Rubio, Álvaro; Varela, Jesús A; Saá, Carlos","Pd-Catalyzed allylic C-H activation to seven-membered <i>N</i>,<i>O</i>-heterocycles.","Chemical communications (Cambridge, England)","2021","57","83","10915","10918","10.1039/d1cc04056a","","","0.71073","MoKα","","0.0724","0.0615","","","0.1499","0.1572","","","","","","1.07","","","","has coordinates","270354","2021-11-06","18:46:25",""
"7128979","9.3804","0.0008","23.7391","0.0019","9.4372","0.0007","90","","114.324","0.003","90","","1914.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cs1av_2o","","","- C20 H23 N O5 S -","- C20 H23 N O5 S -","- C80 H92 N4 O20 S4 -","4","1","","Velasco-Rubio, Álvaro; Varela, Jesús A; Saá, Carlos","Pd-Catalyzed allylic C-H activation to seven-membered <i>N</i>,<i>O</i>-heterocycles.","Chemical communications (Cambridge, England)","2021","57","83","10915","10918","10.1039/d1cc04056a","","","0.71073","MoKα","","0.1384","0.1292","","","0.2387","0.2431","","","","","","1.243","","","","has coordinates,has disorder","270354","2021-11-06","18:46:26",""
"7128980","7.554","0.005","7.8","0.005","15.305","0.01","96.293","0.019","90.202","0.018","99.553","0.018","883.7","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C38 H42 N6 O4 -","2","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.1375","0.0607","","","0.1322","0.1583","","","","","","1.006","","","","has coordinates,has disorder","269259","2021-09-23","21:57:25",""
"7128981","10.765","0.004","8.899","0.003","37.044","0.015","90","","94.947","0.013","90","","3536","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C144 H180 N36 O12 -","12","3","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.113","0.0582","","","0.1333","0.1529","","","","","","1.027","","","","has coordinates","269259","2021-09-23","21:57:26",""
"7128982","11.045","0.006","13.979","0.006","14.811","0.006","90","","93.52","0.013","90","","2282.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 B F4 N3 -","- C25 H26 B F4 N3 -","- C100 H104 B4 F16 N12 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.1422","0.067","","","0.1529","0.1823","","","","","","1.022","","","","has coordinates,has disorder","269259","2021-09-23","21:57:26",""
"7128983","21.598","0.006","10.343","0.003","18.17","0.005","90","","109.301","0.007","90","","3830.8","1.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C184 H168 N24 O8 -","8","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0613","0.0418","","","0.1037","0.1155","","","","","","1.032","","","","has coordinates","269259","2021-09-23","21:57:26",""
"7128984","25.226","0.009","45.845","0.016","7.02","0.003","90","","90","","90","","8119","5","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H25 N3 -","- C25 H25 N3 -","- C400 H400 N48 -","16","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0745","0.0447","","","0.0899","0.0988","","","","","","1.045","","","","has coordinates","269259","2021-09-23","21:57:26",""
"7128985","11.279","0.003","11.539","0.004","11.879","0.004","93.664","0.011","116.197","0.009","115.492","0.009","1189.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 Cl2 N3 O2 -","- C25 H25 Cl2 N3 O2 -","- C50 H50 Cl4 N6 O4 -","2","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0576","0.0428","","","0.117","0.1239","","","","","","1.048","","","","has coordinates","269259","2021-09-23","21:57:26",""
"7128986","8.5","0.002","24.61","0.008","12.044","0.003","90","","110.619","0.015","90","","2358","1.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N3 -","- C30 H27 N3 -","- C120 H108 N12 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.1067","0.0552","","","0.1207","0.1372","","","","","","1.032","","","","has coordinates","269259","2021-09-23","21:57:26",""
"7128987","16.149","0.005","6.597","0.002","21.35","0.007","90","","104.183","0.01","90","","2205.2","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O2 -","- C25 H25 N3 O2 -","- C100 H100 N12 O8 -","4","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0988","0.0599","","","0.151","0.1734","","","","","","1.031","","","","has coordinates","269259","2021-09-23","21:57:27",""
"7128988","19.077","0.007","8.652","0.003","23.32","0.008","90","","90","","90","","3849","2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C192 H168 N24 O8 -","8","1","","Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong","Dioxygenation of unprotected mesoionic N‑heterocyclic olefins","Chemical Communications","2021","","","","","10.1039/D1CC04695K","","","0.71073","MoKα","","0.0995","0.061","","","0.1303","0.1456","","","","","","1.049","","","","has coordinates","269259","2021-09-23","21:57:27",""
"7128989","29.5276","0.0011","29.5276","0.0011","6.0515","0.0003","90","","90","","90","","5276.2","0.4","100","0.2","100","0.2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H13 N O S -","- C16 H13 N O S -","- C256 H208 N16 O16 S16 -","16","1","","Fu, Yuanyuan; Zhao, Xueyan; Chen, Dengfeng; Luo, Jinyue; Huang, Shenlin","Cu-catalyzed coupling of indanone oxime acetates with thiols to 2,3-difunctionalized indenones.","Chemical communications (Cambridge, England)","2021","57","82","10719","10722","10.1039/d1cc04167c","","x-ray","1.54184","CuKα","","0.0551","0.0513","","","0.1333","0.1394","","","","","","1.058","","","","has coordinates","270404","2021-11-06","19:02:21",""
"7128990","14.9422","0.0017","14.9487","0.0017","13.7186","0.0016","90","","90","","90","","3064.3","0.6","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 N3 Ni O4 S -","- C15 H15 N3 Ni O4 S -","- C120 H120 N24 Ni8 O32 S8 -","8","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","0.71073","MoKα","","0.0323","0.0278","","","0.0651","0.0665","","","","","","1.05","","","","has coordinates,has disorder","270375","2021-11-06","18:52:23",""
"7128991","11.9552","0.0009","12.176","0.0009","12.797","0.0009","98.838","0.004","112.789","0.004","108.273","0.004","1548.2","0.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 N3 Ni O3.5 S -","- C15 H16 N3 Ni O3.5 S -","- C60 H64 N12 Ni4 O14 S4 -","4","2","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0461","0.0375","","","0.0914","0.0953","","","","","","1.097","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7128992","10.967","0.002","14.103","0.003","21.624","0.004","90","","104.421","0.002","90","","3239.2","1.1","112","2","112","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Cl2 Cu N6 O7 S2 -","- C31 H30 Cl2 Cu N6 O7 S2 -","- C124 H120 Cl8 Cu4 N24 O28 S8 -","4","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","0.71073","MoKα","","0.0531","0.0386","","","0.0878","0.0942","","","","","","1.051","","","","has coordinates,has disorder","270375","2021-11-06","18:52:25",""
"7128993","18.1906","0.0003","12.7306","0.0002","10.9264","0.0002","90","","100.539","0.001","90","","2487.62","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cu N3 O4 S -","- C23 H31 Cu N3 O4 S -","- C92 H124 Cu4 N12 O16 S4 -","4","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0636","0.0435","","","0.1197","0.1342","","","","","","1.103","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7128994","11.2868","0.0012","9.656","0.001","14.3063","0.0015","90","","94.472","0.001","90","","1554.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cu2 N6 O8 S2 -","- C30 H30 Cu2 N6 O8 S2 -","- C60 H60 Cu4 N12 O16 S4 -","2","0.5","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","0.71073","MoKα","","0.0451","0.0328","","","0.0736","0.0787","","","","","","1.051","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7128995","16.4967","0.0019","12.7673","0.0015","11.5945","0.0014","90","","107.073","0.002","90","","2334.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N3 Ni O4 S -","- C23 H31 N3 Ni O4 S -","- C92 H124 N12 Ni4 O16 S4 -","4","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","0.71073","MoKα","","0.0795","0.0627","","","0.154","0.1654","","","","","","1.019","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7128996","15.0116","0.0007","15.0137","0.0009","13.9214","0.0008","90","","90","","90","","3137.6","0.3","300","2","300","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H15 N3 O4 S Zn -","- C15 H15 N3 O4 S Zn -","- C120 H120 N24 O32 S8 Zn8 -","8","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0592","0.05","","","0.1329","0.1396","","","","","","1.074","","","","has coordinates,has disorder","270375","2021-11-06","18:52:25",""
"7128997","12.0902","0.0017","14.849","0.002","16.669","0.002","111.874","0.002","106.757","0.002","94.825","0.002","2596.7","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C24.62 H35 Cl0.25 N3 O4.38 S Zn -","- C24.625 H35 Cl0.25 N3 O4.375 S Zn -","- C98.5 H140 Cl N12 O17.5 S4 Zn4 -","4","2","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","0.71073","MoKα","","0.1229","0.0691","","","0.148","0.1659","","","","","","1.041","","","","has coordinates,has disorder","270375","2021-11-06","18:52:25",""
"7128998","19.5284","0.001","7.3377","0.0004","34.2044","0.0017","90","","90","","90","","4901.3","0.4","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H31 N3 O5 S -","- C23 H31 N3 O5 S -","- C184 H248 N24 O40 S8 -","8","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0527","0.046","","","0.1212","0.1246","","","","","","1.108","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7128999","16.3521","0.0012","12.6368","0.0009","11.7356","0.0009","90","","106.319","0.004","90","","2327.3","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N3 Ni O4 S -","- C23 H29 N3 Ni O4 S -","- C92 H116 N12 Ni4 O16 S4 -","4","1","","Singh, Hardeep; MacKay, Alyson; Sheibany, Nooshin; Chen, Fei; Mosser, Maëlle; Rouet, Pierre-Étienne; Rousseau, Frédéric; Askari, Mohammad S.; Ottenwaelder, Xavier","Intramolecular H-bond stabilization of a primary hydroxylamine in salen-type metal complexes.","Chemical communications (Cambridge, England)","2021","57","80","10403","10406","10.1039/d1cc03077a","","","1.54178","CuKα","","0.0401","0.0349","","","0.0907","0.0944","","","","","","1.027","","","","has coordinates","270375","2021-11-06","18:52:25",""
"7129000","3.57206","0.00002","3.57206","0.00002","12.19453","0.0001","90","","90","","90","","155.598","0.0018","297","2","297","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ca2 N2 Ni -","- Ca2 N2 Ni -","- Ca4 N4 Ni2 -","2","0.0625","","Kloß, Simon D; Attfield, J. Paul","Low-dimensional magnetism in calcium nitridonickelate(II) Ca<sub>2</sub>NiN<sub>2</sub>.","Chemical communications (Cambridge, England)","2021","57","80","10427","10430","10.1039/d1cc04001d","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","","1.99","1.31","","","","","","","has coordinates","270374","2021-11-06","18:51:58",""
"7129001","7.252","0.0006","8.5655","0.0008","13.9821","0.0012","90","","90","","90","","868.53","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Br F3 N O -","- C7 H5 Br F3 N O -","- C28 H20 Br4 F12 N4 O4 -","4","1","","Lauzon, Samuel; Ollevier, Thierry","2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et<sub>2</sub>Zn alkylation of aldehydes.","Chemical communications (Cambridge, England)","2021","57","84","11025","11028","10.1039/d1cc04556c","","x-ray","1.54178","CuKα","","0.0172","0.0172","","","0.0449","0.0449","","","","","","1.173","","","","has coordinates","270392","2021-11-06","18:56:38",""
"7129002","14.5873","0.0002","14.5873","0.0002","6.7844","0.0002","90","","90","","90","","1443.65","0.05","120","","120","","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C14 H10 F6 N2 O2 -","- C14 H10 F6 N2 O2 -","- C56 H40 F24 N8 O8 -","4","0.5","","Lauzon, Samuel; Ollevier, Thierry","2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et<sub>2</sub>Zn alkylation of aldehydes.","Chemical communications (Cambridge, England)","2021","57","84","11025","11028","10.1039/d1cc04556c","","x-ray","1.34139","GaKα","","0.0301","0.0299","","","0.0792","0.0794","","","","","","1.064","","","","has coordinates","270392","2021-11-06","18:56:39",""
"7129003","17.4342","0.0004","12.8734","0.0003","23.1114","0.0006","90","","93.993","0.001","90","","5174.5","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H14.08 F12 N2 O10.04 S2 Zn -","- C16 H14.08 F12 N2 O10.04 S2 Zn -","- C128 H112.64 F96 N16 O80.32 S16 Zn8 -","8","4","","Lauzon, Samuel; Ollevier, Thierry","2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et<sub>2</sub>Zn alkylation of aldehydes.","Chemical communications (Cambridge, England)","2021","57","84","11025","11028","10.1039/d1cc04556c","","x-ray","1.54178","CuKα","","0.0451","0.035","","","0.0822","0.087","","","","","","0.992","","","","has coordinates,has disorder","270392","2021-11-06","18:56:39",""
"7129004","26.094","0.002","6.5624","0.0005","9.4316","0.0007","90","","90","","90","","1615.1","0.2","100","","100","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H13 F6 N5 O -","- C16 H13 F6 N5 O -","- C64 H52 F24 N20 O4 -","4","1","","You, Tingjie; Zeng, Si-Hao; Fan, Jianqiang; Wu, Liangliang; Kang, Fangyuan; Liu, Yungen; Che, Chi-Ming","A soluble iron(II)-phthalocyanine-catalyzed intramolecular C(sp<sup>3</sup>)-H amination with alkyl azides.","Chemical communications (Cambridge, England)","2021","57","82","10711","10714","10.1039/d1cc04573c","","","0.71073","MoKα","","0.0475","0.0436","","","0.109","0.1117","","","","","","1.04","","","","has coordinates,has disorder","270400","2021-11-06","19:00:16",""
"7129005","4.6849","0.0008","5.6677","0.001","15.258","0.003","98.838","0.006","91.269","0.006","93.319","0.006","399.46","0.13","100","","100.01","","","","","","","","","5","P 1","P 1","1","","","","- C16 H13 F6 N5 O -","- C16 H13 F6 N5 O -","- C16 H13 F6 N5 O -","1","1","","You, Tingjie; Zeng, Si-Hao; Fan, Jianqiang; Wu, Liangliang; Kang, Fangyuan; Liu, Yungen; Che, Chi-Ming","A soluble iron(II)-phthalocyanine-catalyzed intramolecular C(sp<sup>3</sup>)-H amination with alkyl azides.","Chemical communications (Cambridge, England)","2021","57","82","10711","10714","10.1039/d1cc04573c","","x-ray","0.71073","MoKα","","0.049","0.0377","","","0.0906","0.0949","","","","","","1.03","","","","has coordinates","270400","2021-11-06","19:00:17",""
"7129006","14.2684","0.0004","16.5014","0.0005","21.5435","0.0006","90","","92.706","0.002","90","","5066.7","0.3","294","","294","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H41 F8 Ni O2 P2 -","- C57 H41 F8 Ni O2 P2 -","- C228 H164 F32 Ni4 O8 P8 -","4","1","","Ponce-de-León, Jaime; Espinet, Pablo","Selective synthesis of fluorinated biaryls by [MCl<sub>2</sub>(PhPEWO-F)] (M = Ni, Pd) catalysed Negishi cross-coupling.","Chemical communications (Cambridge, England)","2021","57","83","10875","10878","10.1039/d1cc04915a","","","0.71073","MoKα","","0.088","0.054","","","0.1451","0.1751","","","","","","1.072","","","","has coordinates","270356","2021-11-06","18:46:46",""
"7129007","10.264","0.007","12.525","0.008","15.232","0.01","82.512","0.01","85.717","0.011","87.038","0.01","1934","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N10 O13 Tb -","- C33 H37 N10 O13 Tb -","- C66 H74 N20 O26 Tb2 -","2","1","","Kachi-Terajima, Chihiro; Okubo, Miku; Ikeda, Mari; Habata, Yoichi","Luminescence switch based on the acid/base induced reversibility of covalent bonds in lanthanide(III) complexes","Chemical Communications","2021","","","","","10.1039/D1CC04567A","","","0.71073","MoKα","","0.0477","0.0422","","","0.1062","0.1108","","","","","","1.006","","","","has coordinates","269339","2021-09-28","21:59:17",""
"7129008","16.1224","0.0011","25.0927","0.0018","18.9394","0.0013","90","","113.325","0.001","90","","7035.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 N8 O10 Tb -","- C32 H37 N8 O10 Tb -","- C256 H296 N64 O80 Tb8 -","8","2","","Kachi-Terajima, Chihiro; Okubo, Miku; Ikeda, Mari; Habata, Yoichi","Luminescence switch based on the acid/base induced reversibility of covalent bonds in lanthanide(III) complexes","Chemical Communications","2021","","","","","10.1039/D1CC04567A","","","0.71073","MoKα","","0.0567","0.038","","","0.0834","0.0903","","","","","","1.005","","","","has coordinates","269339","2021-09-28","21:59:18",""
"7129009","10.452","0.0012","27.477","0.003","12.9143","0.0014","90","","106.006","0.002","90","","3565.1","0.7","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Gd N12 O10 -","- C34 H31 Gd N12 O10 -","- C136 H124 Gd4 N48 O40 -","4","1","","Kachi-Terajima, Chihiro; Okubo, Miku; Ikeda, Mari; Habata, Yoichi","Luminescence switch based on the acid/base induced reversibility of covalent bonds in lanthanide(III) complexes","Chemical Communications","2021","","","","","10.1039/D1CC04567A","","","0.71073","MoKα","","0.0623","0.04","","","0.0824","0.0905","","","","","","1.025","","","","has coordinates,has disorder","269339","2021-09-28","21:59:18",""
"7129010","16.1612","0.0012","25.1081","0.0019","18.9535","0.0014","90","","113.399","0.001","90","","7058.4","0.9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 Gd N8 O10 -","- C32 H37 Gd N8 O10 -","- C256 H296 Gd8 N64 O80 -","8","2","","Kachi-Terajima, Chihiro; Okubo, Miku; Ikeda, Mari; Habata, Yoichi","Luminescence switch based on the acid/base induced reversibility of covalent bonds in lanthanide(III) complexes","Chemical Communications","2021","","","","","10.1039/D1CC04567A","","","0.71073","MoKα","","0.0528","0.035","","","0.0803","0.0879","","","","","","1.019","","","","has coordinates","269339","2021-09-28","21:59:18",""
"7129011","8.5388","0.0015","17.266","0.003","18.085","0.002","63.591","0.008","80.604","0.013","87.018","0.014","2355.4","0.7","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","1CeNi","CeNiL(OAc)3","","- C46 H47.9 Ce N6 Ni3 O11 -","- C46 H47 Ce N6 Ni3 O11 -","- C92 H94 Ce2 N12 Ni6 O22 -","2","1","","Nagae, Haruki; Sakamoto, Kazutaka; Fujiwara, Sakiko; Schindler, Tobias; Kon, Yoshihiro; Sato, Kazuhiko; Okuda, Jun; Mashima, Kazushi","Aerobic oxygenation of α-methylene ketones under visible-light catalysed by a CeNi<sub>3</sub> complex with a macrocyclic tris(salen)-ligand.","Chemical communications (Cambridge, England)","2021","57","85","11169","11172","10.1039/d1cc04540g","","x-ray","0.71075","MoKα","","0.0907","0.057","","","0.1379","0.146","","","","","","1.013","","","","has coordinates,has disorder","270382","2021-11-06","18:54:14",""
"7129012","12.221","0.0016","15.1088","0.0019","32.186","0.004","90","","95.719","0.003","90","","5913.4","1.3","113.15","","113.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","1CeZn","CeZn3L(OAc)3","","- C49 H54 Ce Cl0.25 N6 O15 Zn3 -","- C49 H55 Ce Cl3 N6 O13 Zn3 -","- C196 H220 Ce4 Cl12 N24 O52 Zn12 -","4","1","","Nagae, Haruki; Sakamoto, Kazutaka; Fujiwara, Sakiko; Schindler, Tobias; Kon, Yoshihiro; Sato, Kazuhiko; Okuda, Jun; Mashima, Kazushi","Aerobic oxygenation of α-methylene ketones under visible-light catalysed by a CeNi<sub>3</sub> complex with a macrocyclic tris(salen)-ligand.","Chemical communications (Cambridge, England)","2021","57","85","11169","11172","10.1039/d1cc04540g","","x-ray","0.71075","MoKα","","0.1187","0.0738","","","0.1517","0.1685","","","","","","1.162","","","","has coordinates,has disorder","270382","2021-11-06","18:54:17",""
"7129013","8.3694","0.0005","17.4057","0.0011","18.0006","0.0013","62.578","0.003","75.394","0.004","77.11","0.004","2234.9","0.3","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","6CeNi","CeNi3L(OAc)3","","- C36 H33 Ce N6 Ni3 O12 -","- C36 H33 Ce N6 Ni3 O12 -","- C72 H66 Ce2 N12 Ni6 O24 -","2","1","","Nagae, Haruki; Sakamoto, Kazutaka; Fujiwara, Sakiko; Schindler, Tobias; Kon, Yoshihiro; Sato, Kazuhiko; Okuda, Jun; Mashima, Kazushi","Aerobic oxygenation of α-methylene ketones under visible-light catalysed by a CeNi<sub>3</sub> complex with a macrocyclic tris(salen)-ligand.","Chemical communications (Cambridge, England)","2021","57","85","11169","11172","10.1039/d1cc04540g","","x-ray","0.71075","MoKα","","0.0534","0.0434","","","0.1204","0.1248","","","","","","1.046","","","","has coordinates,has disorder","270382","2021-11-06","18:54:17",""
"7129014","11.375","0.0002","8.8028","0.0002","26.0461","0.0005","90","","92.776","0.001","90","","2604.98","0.09","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 N2 O2 -","- C38 H22 N2 O2 -","- C152 H88 N8 O8 -","4","1","","Yang, Sheng-Yi; Zou, Sheng-Nan; Kong, Fan-Cheng; Liao, Xiang-Ji; Qu, Yang-Kun; Feng, Zi-Qi; Zheng, You-Xuan; Jiang, Zuo-Quan; Liao, Liang-Sheng","A narrowband blue circularly polarized thermally activated delayed fluorescence emitter with a hetero-helicene structure.","Chemical communications (Cambridge, England)","2021","57","84","11041","11044","10.1039/d1cc04405b","","","1.54178","CuKα","","0.0443","0.0383","","","0.0946","0.0997","","","","","","1.013","","","","has coordinates","270388","2021-11-06","18:55:44",""
"7129015","21.0876","0.0003","21.1132","0.0002","29.7036","0.0003","90","","90","","90","","13224.8","0.3","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H79 As2 Mn N12 O19.5 -","- C60 H79 As2 Mn N12 O19.5 -","- C480 H632 As16 Mn8 N96 O156 -","8","1","","Shylin, Sergii I.; Pogrebetsky, James L.; Husak, Alina O.; Bykov, Dmytro; Mokhir, Andriy; Hampel, Frank; Shova, Sergiu; Ozarowski, Andrew; Gumienna-Kontecka, Elzbieta; Fritsky, Igor O.","Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes.","Chemical communications (Cambridge, England)","2021","57","84","11060","11063","10.1039/d1cc04870h","","x-ray","1.54184","CuKα","","0.0496","0.0436","","","0.1146","0.1215","","","","","","1.03","","","","has coordinates","270391","2021-11-06","18:56:29",""
"7129016","9.9513","0.0007","11.2457","0.0008","11.7458","0.0009","106.127","0.007","93.29","0.006","106.007","0.006","1200.93","0.17","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Mn N12 Na2 O13 -","- C12 H26 Mn N12 Na2 O13 -","- C24 H52 Mn2 N24 Na4 O26 -","2","1","","Shylin, Sergii I.; Pogrebetsky, James L.; Husak, Alina O.; Bykov, Dmytro; Mokhir, Andriy; Hampel, Frank; Shova, Sergiu; Ozarowski, Andrew; Gumienna-Kontecka, Elzbieta; Fritsky, Igor O.","Expanding manganese(IV) aqueous chemistry: unusually stable water-soluble hexahydrazide clathrochelate complexes.","Chemical communications (Cambridge, England)","2021","57","84","11060","11063","10.1039/d1cc04870h","","","0.71073","MoKα","","0.0449","0.036","","","0.0824","0.0868","","","","","","1.041","","","","has coordinates","270391","2021-11-06","18:56:30",""
"7129017","6.8686","0.0009","21.053","0.003","7.1521","0.0009","90","","95.021","0.004","90","","1030.3","0.2","295","2","295.24","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N,N'-dimethyl-4-nitrobenzohydrazide","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C36 H44 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.1246","0.0503","","","0.1092","0.1519","","","","","","1.05","","","","has coordinates","270386","2021-11-06","18:54:50",""
"7129018","6.0949","0.0002","9.8024","0.0003","18.4664","0.0005","90","","90","","90","","1103.27","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N',N'-trimethyl-4-nitrobenzohydrazide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.0473","0.0365","","","0.0833","0.0914","","","","","","1.079","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129019","7.4997","0.0006","18.7572","0.0015","7.4345","0.0007","90","","100.331","0.003","90","","1028.88","0.15","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-cyano-N,N'-dimethylbenzohydrazide","","- C10 H11 N3 O -","- C10 H11 N3 O -","- C40 H44 N12 O4 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.111","0.0586","","","0.1639","0.22","","","","","","1.128","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129020","12.3475","0.0008","18.8728","0.0011","3.9943","0.0002","90","","90","","90","","930.8","0.09","302","2","302","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1,2-dimethyl-6-nitro-1H-indazol-3(2H)-one","","- C9 H9 N3 O3 -","- C9 H9 N3 O3 -","- C36 H36 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.044","0.0348","","","0.086","0.0937","","","","","","1.113","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129021","6.6018","0.0004","13.8377","0.001","12.6315","0.0008","90","","90.58","0.002","90","","1153.88","0.13","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-cyano-N,N',N'-trimethylbenzohydrazide","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C44 H52 N12 O4 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.0655","0.0456","","","0.1245","0.141","","","","","","1.09","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129022","9.779","0.003","12.795","0.004","10.02","0.003","90","","116.776","0.01","90","","1119.3","0.6","299","2","299","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-methoxy-N,N',N'-trimethylbenzohydrazide","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.056","0.0429","","","0.1127","0.1238","","","","","","1.071","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129023","13.453","0.0002","8.6713","0.0001","30.2422","0.0003","90","","90.066","0.0009","90","","3527.9","0.08","150","2","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N6 -","- C46 H38 N6 -","- C184 H152 N24 -","4","1","","López-Alled, Carlos M; Park, Sang Jun; Lee, Dong Joon; Murfin, Lloyd C.; Kociok-Köhn, Gabriele; Hann, Jodie L.; Wenk, Jannis; James, Tony D.; Kim, Hwan Myung; Lewis, Simon E.","Azulene-based fluorescent chemosensor for adenosine diphosphate.","Chemical communications (Cambridge, England)","2021","57","81","10608","10611","10.1039/d1cc04122c","","x-ray","1.54184","CuKα","","0.0551","0.0444","","","0.1087","0.1147","","","","","","1.061","","","","has coordinates,has disorder","270357","2021-11-06","18:47:00",""
"7129024","13.6047","0.0003","9.8218","0.0002","29.367","0.0011","90","","100.398","0.003","90","","3859.65","0.19","150","2","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H41 N7 -","- C48 H41 N7 -","- C192 H164 N28 -","4","1","","López-Alled, Carlos M; Park, Sang Jun; Lee, Dong Joon; Murfin, Lloyd C.; Kociok-Köhn, Gabriele; Hann, Jodie L.; Wenk, Jannis; James, Tony D.; Kim, Hwan Myung; Lewis, Simon E.","Azulene-based fluorescent chemosensor for adenosine diphosphate.","Chemical communications (Cambridge, England)","2021","57","81","10608","10611","10.1039/d1cc04122c","","x-ray","1.54184","CuKα","","0.088","0.0688","","","0.1669","0.178","","","","","","1.121","","","","has coordinates,has disorder","270357","2021-11-06","18:47:00",""
"7129025","21.3009","0.0005","21.3009","0.0005","7.7405","0.0003","90","","90","","90","","3512.08","0.18","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C23 H19 N O -","- C23 H19 N O -","- C184 H152 N8 O8 -","8","1","","Wei, Hao-Zhao; Wei, Yin; Shi, Min","Construction of an isoquinolinone framework from carboxylic-ester-directed umpolung ring opening of methylenecyclopropanes.","Chemical communications (Cambridge, England)","2021","57","85","11201","11204","10.1039/d1cc04826k","","","0.71073","MoKα","","0.0389","0.0326","","","0.0797","0.0845","","","","","","1.052","","","","has coordinates","270385","2021-11-06","18:54:41",""
"7129026","5.5414","0.0005","9.702","0.001","16.4455","0.0017","98.437","0.003","98.614","0.003","97.851","0.003","853.28","0.15","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C44 H36 N4 O2 -","2","1","","Wei, Hao-Zhao; Wei, Yin; Shi, Min","Construction of an isoquinolinone framework from carboxylic-ester-directed umpolung ring opening of methylenecyclopropanes.","Chemical communications (Cambridge, England)","2021","57","85","11201","11204","10.1039/d1cc04826k","","","0.71073","MoKα","","0.0522","0.041","","","0.0978","0.1066","","","","","","1.042","","","","has coordinates","270385","2021-11-06","18:54:41",""
"7129027","7.0765","0.0004","7.2293","0.0003","18.9898","0.0009","90","","92.749","0.002","90","","970.36","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","boron trichloride dimethyl sulfide","","","- C2 H6 B I3 S -","- C2 H6 B I3 S -","- C8 H24 B4 I12 S4 -","4","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","1.54178","CuKα","","0.0305","0.0297","","","0.078","0.0787","","","","","","1.053","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129028","11.6992","0.0012","9.8865","0.001","21.0275","0.0019","90","","90.527","0.002","90","","2432","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PB(NBH2)","","","- C24 H42 B2 N P -","- C24 H42 B2 N P -","- C96 H168 B8 N4 P4 -","4","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","0.71073","MoKα","","0.0887","0.063","","","0.1632","0.1809","","","","","","1.027","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129029","9.4802","0.0007","10.2175","0.0008","15.3118","0.0011","90","","99.894","0.001","90","","1461.1","0.19","173.15","","173.15","","","","","","","","","6","P 1 n 1","P -2yac","7","PB(N3SiMe3)","","","- C27 H49 B N3 P Si -","- C27 H49 B N3 P Si -","- C54 H98 B2 N6 P2 Si2 -","2","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","0.71073","MoKα","","0.0328","0.0301","","","0.0737","0.0755","","","","","","1.031","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129030","10.7171","0.0003","16.7686","0.0005","17.2773","0.0006","68.428","0.002","75.826","0.002","77.713","0.002","2773.46","0.15","193","2","193","2","","","","","","","","6","P -1","-P 1","2","[PB(NLi)2]","","","- C57 H101 B2 Li2 N2 P2 -","- C48 H80 B2 Li2 N2 P2 -","- C96 H160 B4 Li4 N4 P4 -","2","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","1.54178","CuKα","","0.0987","0.0765","","","0.2004","0.2176","","","","","","1.071","","","","has coordinates,has disorder","270353","2021-11-06","18:46:15",""
"7129031","10.5379","0.0003","9.652","0.0003","22.5624","0.0006","90","","92.7034","0.0012","90","","2292.31","0.11","193.15","","193.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PB(NH)","","","- C24 H41 B N P -","- C24 H41 B N P -","- C96 H164 B4 N4 P4 -","4","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","1.54178","CuKα","","0.0375","0.0345","","","0.093","0.0956","","","","","","1.059","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129032","9.5926","0.0012","11.0351","0.0014","16.641","0.002","98.954","0.002","98.334","0.002","99.92","0.002","1687.1","0.4","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","PB(NBH2)-DMAP","","","- C32 H54 B2 Cl2 N3 P -","- C32 H54 B2 Cl2 N3 P -","- C64 H108 B4 Cl4 N6 P2 -","2","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","0.71073","MoKα","","0.0676","0.043","","","0.0991","0.1116","","","","","","1.023","","","","has coordinates,has disorder","270353","2021-11-06","18:46:15",""
"7129033","19.7455","0.0006","10.968","0.0003","23.1511","0.0007","90","","102.217","0.002","90","","4900.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PB(H2BNH2)","","","- C24 H44 B2 N P -","- C24 H44 B2 N P -","- C192 H352 B16 N8 P8 -","8","2","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","1.54178","CuKα","","0.0593","0.0432","","","0.1068","0.1175","","","","","","1.027","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129034","11.1624","0.0004","9.3546","0.0003","23.6269","0.0008","90","","99.5776","0.0019","90","","2432.73","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PB(HBNH)","","","- C24 H42 B2 N P -","- C24 H42 B2 N P -","- C96 H168 B8 N4 P4 -","4","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","1.54178","CuKα","","0.0554","0.0519","","","0.134","0.1376","","","","","","1.094","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129035","18.2679","0.0005","11.4128","0.0004","14.6131","0.0004","90","","107.048","0.002","90","","2912.78","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PB(HIBNH2)","","","- C27 H50 B2 I N P -","- C24 H43 B2 I N P -","- C96 H172 B8 I4 N4 P4 -","4","1","","Frenette, Brandon L.; Omaña, Alvaro A; Ferguson, Michael J.; Zhou, Yuqiao; Rivard, Eric","Access to adducts of parent iminoborane isomers, HBNH and NBH<sub>2</sub>, using frustrated Lewis pair chelation.","Chemical communications (Cambridge, England)","2021","57","83","10895","10898","10.1039/d1cc04923b","","","1.54178","CuKα","","0.0816","0.0539","","","0.1232","0.138","","","","","","1.056","","","","has coordinates","270353","2021-11-06","18:46:15",""
"7129036","7.325","0.0004","12.3657","0.0005","27.819","0.0012","90","","90","","90","","2519.8","0.2","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Br N5 -","- C13 H12 Br N5 -","- C104 H96 Br8 N40 -","8","1","","Zhao, Wanqiu; Zhang, Cheng; Zhong, Pengzhen; Zhou, Wei; Zhang, Chen; Cui, Dong-Mei","Diversity-oriented synthesis of imidazo[1,2-<i>a</i>][1,3,5]triazine derivatives from 2-amine-[1,3,5]triazines with ketones.","Chemical communications (Cambridge, England)","2021","57","82","10715","10718","10.1039/d1cc04294g","","","0.71073","MoKα","","0.0406","0.0375","","","0.0835","0.0856","","","","","","1.076","","","","has coordinates","270403","2021-11-06","19:02:09",""
"7129037","11.231","0.002","7.9355","0.0016","39.428","0.008","90","","90","","90","","3514","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N5 O2 -","- C21 H17 N5 O2 -","- C168 H136 N40 O16 -","8","1","","Zhao, Wanqiu; Zhang, Cheng; Zhong, Pengzhen; Zhou, Wei; Zhang, Chen; Cui, Dong-Mei","Diversity-oriented synthesis of imidazo[1,2-<i>a</i>][1,3,5]triazine derivatives from 2-amine-[1,3,5]triazines with ketones.","Chemical communications (Cambridge, England)","2021","57","82","10715","10718","10.1039/d1cc04294g","","","0.71073","MoKα","","0.0514","0.0406","","","0.1039","0.1178","","","","","","1.139","","","","has coordinates","270403","2021-11-06","19:02:10",""
"7129038","13.982","0.002","23.272","0.004","20.029","0.003","90","","94.935","0.003","90","","6493.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H83 Br4 N4 O13 -","- C61 H83 Br4 N4 O13 -","- C244 H332 Br16 N16 O52 -","4","1","","Hodson, Luke; Visagie, Kevin J.; Smith, Michael-Phillip; Loots, Leigh; Kuter, David; Snayer, Trégen M; Arnott, Gareth E.","Facile synthesis of a <i>C</i><sub>4</sub>-symmetrical inherently chiral calix[4]arene.","Chemical communications (Cambridge, England)","2021","57","84","11045","11048","10.1039/d1cc04607a","","","0.71073","MoKα","","0.0811","0.0462","","","0.0958","0.1102","","","","","","1.014","","","","has coordinates,has disorder","270389","2021-11-06","18:55:58",""
"7129039","14.4769","0.0008","10.6369","0.0006","20.1652","0.0011","90","","96.305","0.002","90","","3086.4","0.3","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H80 Fe2 K2 N2 O12 S2 Si4 -","- C36 H80 Fe2 K2 N2 O12 S2 Si4 -","- C72 H160 Fe4 K4 N4 O24 S4 Si8 -","2","0.5","","Schneider, Christian; Groß, Sophie J; Demeshko, Serhiy; Bontemps, Sébastien; Meyer, Franc; Werncke, C. Gunnar","Synthesis and characterisation of a very low-coordinate diferrous [2Fe-2S]<sup>0</sup> unit.","Chemical communications (Cambridge, England)","2021","57","82","10751","10754","10.1039/d1cc04196g","","x-ray","0.71073","MoKα","","0.0421","0.0327","","","0.0828","0.087","","","","","","1.04","","","","has coordinates","270402","2021-11-06","19:02:00",""
"7129040","13.1814","0.0007","17.5638","0.0008","19.7643","0.0009","65.201","0.001","87.028","0.001","83.569","0.001","4127.6","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C25 H58 Fe K N2 O6 S3 Si4 -","- C25 H60 Fe K N2 O6 S3 Si4 -","- C100 H240 Fe4 K4 N8 O24 S12 Si16 -","4","2","","Schneider, Christian; Groß, Sophie J; Demeshko, Serhiy; Bontemps, Sébastien; Meyer, Franc; Werncke, C. Gunnar","Synthesis and characterisation of a very low-coordinate diferrous [2Fe-2S]<sup>0</sup> unit.","Chemical communications (Cambridge, England)","2021","57","82","10751","10754","10.1039/d1cc04196g","","x-ray","0.71073","MoKα","","0.0966","0.0534","","","0.1149","0.1264","","","","","","0.984","","","","has coordinates,has disorder","270402","2021-11-06","19:02:00",""
"7129041","12.2287","0.0005","13.8939","0.0006","24.4874","0.001","96.877","0.002","100.914","0.001","102.872","0.002","3925.2","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H125 Fe2 K2 N4 O12.5 S2 Si8 -","- C50 H125 Fe2 K2 N4 O12.5 S2 Si8 -","- C100 H250 Fe4 K4 N8 O25 S4 Si16 -","2","1","","Schneider, Christian; Groß, Sophie J; Demeshko, Serhiy; Bontemps, Sébastien; Meyer, Franc; Werncke, C. Gunnar","Synthesis and characterisation of a very low-coordinate diferrous [2Fe-2S]<sup>0</sup> unit.","Chemical communications (Cambridge, England)","2021","57","82","10751","10754","10.1039/d1cc04196g","","x-ray","0.71073","MoKα","","0.0615","0.0391","","","0.0714","0.0768","","","","","","1.036","","","","has coordinates,has disorder","270402","2021-11-06","19:02:00",""
"7129042","12.4251","0.0008","18.3927","0.0012","25.1535","0.0018","103.471","0.003","90.449","0.004","103.813","0.004","5416.3","0.6","100","2","99.92","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H153 Bi8 O3 Sn3 -","- C96 H153 Bi8 O3 Sn3 -","- C192 H306 Bi16 O6 Sn6 -","2","1","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.07","0.043","","","0.0919","0.1032","","","","","","0.908","","","","has coordinates","269402","2021-09-30","21:58:29",""
"7129043","11.8602","0.0007","25.223","0.002","22.4048","0.0017","90","","94.905","0.003","90","","6677.8","0.8","249.95","","249.95","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H102 Sn3 -","- C72 H102 Sn3 -","- C288 H408 Sn12 -","4","0.5","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.0514","0.0322","","","0.0608","0.0713","","","","","","1.08","","","","has coordinates,has disorder","269402","2021-09-30","21:58:38",""
"7129044","25.7205","0.0009","16.528","0.0006","23.012","0.0009","90","","111.63","0.002","90","","9093.7","0.6","100.14","","100.14","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H122 Bi8 O4 Sn3 -","- C80 H122 Bi8 O4 Sn3 -","- C320 H488 Bi32 O16 Sn12 -","4","0.5","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.0432","0.0323","","","0.0707","0.0757","","","","","","1.071","","","","has coordinates","269402","2021-09-30","21:58:38",""
"7129045","15.2666","0.0009","16.4529","0.0008","21.894","0.0012","78.431","0.002","80.056","0.002","75.059","0.002","5162.8","0.5","100","2","100.11","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H148 Bi4 O2 Sn4 -","- C100 H148 Bi4 O2 Sn4 -","- C200 H296 Bi8 O4 Sn8 -","2","1","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.0718","0.0455","","","0.0859","0.0965","","","","","","1.048","","","","has coordinates","269402","2021-09-30","21:58:38",""
"7129046","14.1893","0.0005","14.1893","0.0005","37.5042","0.0015","90","","90","","90","","7551","0.5","100","2","100","","","","","","","","","5","P 41","P 4w","76","","","","- C76 H110 Bi2 O2 Sn4 -","- C76 H110 Bi2 O2 Sn4 -","- C304 H440 Bi8 O8 Sn16 -","4","1","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.0565","0.0509","","","0.1147","0.1172","","","","","","1.064","","","","has coordinates","269402","2021-09-30","21:58:38",""
"7129047","14.1148","0.0005","14.1612","0.0005","31.9318","0.0011","78.826","0.002","89.605","0.002","81.323","0.002","6188.3","0.4","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H93 Bi2 Sn2 -","- C60 H93 Bi2 Sn2 -","- C240 H372 Bi8 Sn8 -","4","2","","Steller, Beate G.; Flock, Michaela; Fischer, Roland C.","From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.","Chemical communications (Cambridge, England)","2021","57","78","10095","10098","10.1039/d1cc02538d","","x-ray","0.71073","MoKα","","0.1222","0.0716","","","0.1337","0.1534","","","","","","1.135","","","","has coordinates,has disorder","269402","2021-09-30","21:58:38",""
"7129048","11.336","0.0004","11.9463","0.0003","16.0968","0.0007","90","","90","","90","","2179.88","0.13","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C100 H100 N12 O16 -","4","1","","Li, Haizhen; Wu, Jinyu; Zheng, Jianfeng; Li, Wei-Dong Z","Synthesis of polycyclic spiroindolines <i>via</i> the cascade reaction of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2021","57","84","11092","11095","10.1039/d1cc04576h","","x-ray","0.71073","MoKα","","0.0834","0.0567","","","0.1245","0.1399","","","","","","1.028","","","","has coordinates","270390","2021-11-06","18:56:09",""
"7129049","15.8169","0.0018","16.0922","0.0013","23.146","0.002","90","","105.329","0.013","90","","5681.7","1","293","2","293.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C232 H248 N24 O48 -","8","1","","Li, Haizhen; Wu, Jinyu; Zheng, Jianfeng; Li, Wei-Dong Z","Synthesis of polycyclic spiroindolines <i>via</i> the cascade reaction of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2021","57","84","11092","11095","10.1039/d1cc04576h","","x-ray","0.71073","MoKα","","0.1098","0.0639","","","0.167","0.1906","","","","","","1.049","","","","has coordinates,has disorder","270390","2021-11-06","18:56:09",""
"7129050","7.4924","0.0004","9.4682","0.0005","9.6821","0.0005","112.93","0.002","109.052","0.002","90.147","0.002","591.24","0.06","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","","Form 1","","- C32 H14 N4 S2 -","- C32 H14 N4 S2 -","- C32 H14 N4 S2 -","1","0.5","","Yang, Canglei; Luo, Lixing; Chen, Jinqiu; Yang, Bo; Wang, Wei; Wang, Hebin; Long, Guankui; Liu, Guangfeng; Zhang, Jing; Huang, Wei","Helical mesoscopic crystals based on an achiral charge-transfer complex with controllable untwisting/breaking.","Chemical communications (Cambridge, England)","2021","57","78","10031","10034","10.1039/d1cc03767f","","","1.54178","CuKα","","0.0679","0.0606","","","0.1963","0.2071","","","","","","1.117","","","","has coordinates,has disorder","269404","2021-09-30","22:00:17",""
"7129051","7.551","0.005","9.095","0.006","9.799","0.007","67.642","0.013","86.816","0.015","74.351","0.014","598.5","0.7","292","2","292.11","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H12 N4 S2 -","- C32 H14 N4 S2 -","- C32 H14 N4 S2 -","1","0.5","","Yang, Canglei; Luo, Lixing; Chen, Jinqiu; Yang, Bo; Wang, Wei; Wang, Hebin; Long, Guankui; Liu, Guangfeng; Zhang, Jing; Huang, Wei","Helical mesoscopic crystals based on an achiral charge-transfer complex with controllable untwisting/breaking.","Chemical communications (Cambridge, England)","2021","57","78","10031","10034","10.1039/d1cc03767f","","","0.71073","MoKα","","0.1339","0.0823","","","0.2149","0.2339","","","","","","0.999","","","","has coordinates,has disorder","269404","2021-09-30","22:00:18",""
"7129052","9.66","0.004","14.86","0.008","10.952","0.005","90","","102.555","0.017","90","","1534.5","1.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Seo, Sanghyup; Kim, Donghyeon; Kim, Hyunwoo","Ligand-controlled, Pd/CuH-catalyzed reductive cross-coupling of terminal alkenes and <i>N</i>-heteroaryl bromides.","Chemical communications (Cambridge, England)","2021","57","85","11240","11243","10.1039/d1cc04833c","","","0.71073","MoKα","","0.1434","0.0682","","","0.17","0.2149","","","","","","0.988","","","","has coordinates","270379","2021-11-06","18:52:58",""
"7129053","11.8344","0.0006","7.8851","0.0003","14.4218","0.0012","90","","113.414","0.005","90","","1234.96","0.14","297.98","0.1","297.98","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C7 H17 Cl2 Cr N O3 -","- C7 H17 Cl2 Cr N O3 -","- C28 H68 Cl8 Cr4 N4 O12 -","4","1","","Han, Ding-Chong; Gong, Zhi-Xiang; Song, Ning; Tan, Yu-Hui; Li, Yu-Kong; Tang, Yun-Zhi; Du, Peng-Kang; Zhang, Hao","Ferroelectric properties, narrow band gap and ultra-large reversible entropy change in a novel nonlinear ionic chromium(VI) compound.","Chemical communications (Cambridge, England)","2021","57","85","11225","11228","10.1039/d1cc04751e","","x-ray","0.71073","MoKα","","0.0369","0.0346","","","0.1007","0.1026","","","","","","1.097","","","","has coordinates,has disorder","270377","2021-11-06","18:52:43",""
"7129054","12.8432","0.0006","14.0502","0.0006","16.6156","0.0007","90","","93.34","0.002","90","","2993.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 N4 O2 Rh -","- C36 H33 N4 O2 Rh -","- C144 H132 N16 O8 Rh4 -","4","1","","Kang, Ju Young; An, Won; Kim, Suho; Kwon, Na Yeon; Jeong, Taejoo; Ghosh, Prithwish; Kim, Hyung Sik; Mishra, Neeraj Kumar; Kim, In Su","Synthesis of spirosuccinimides <i>via</i> annulative cyclization between <i>N</i>-aryl indazolols and maleimides under rhodium(III) catalysis.","Chemical communications (Cambridge, England)","2021","57","83","10947","10950","10.1039/d1cc04599g","","","0.71073","MoKα","","0.0369","0.0313","","","0.0814","0.0868","","","","","","1.06","","","","has coordinates","270355","2021-11-06","18:46:38",""
"7129055","6.772","0.002","9.153","0.002","9.331","0.002","70.25","0.007","87.119","0.008","72.184","0.008","517.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 O -","- C13 H10 N2 O -","- C26 H20 N4 O2 -","2","1","","Kang, Ju Young; An, Won; Kim, Suho; Kwon, Na Yeon; Jeong, Taejoo; Ghosh, Prithwish; Kim, Hyung Sik; Mishra, Neeraj Kumar; Kim, In Su","Synthesis of spirosuccinimides <i>via</i> annulative cyclization between <i>N</i>-aryl indazolols and maleimides under rhodium(III) catalysis.","Chemical communications (Cambridge, England)","2021","57","83","10947","10950","10.1039/d1cc04599g","","","0.71073","MoKα","","0.064","0.0491","","","0.1134","0.1209","","","","","","1.06","","","","has coordinates","270355","2021-11-06","18:46:38",""
"7129056","6.9026","0.00014","6.93126","0.00015","23.3243","0.0004","90","","90","","90","","1115.92","0.04","293","0.7","293","0.7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Cl O2 -","- C13 H11 Cl O2 -","- C52 H44 Cl4 O8 -","4","1","","Zhang, Xiao-Yan; Shao, Ya-Ping; Guo, Bao-Kuan; Zhang, Kun; Zhang, Fu-Min; Zhang, Xiao-Ming; Tu, Yong-Qiang","Catalytic enantioselective synthesis of chiral spirocyclic 1,3-diketones <i>via</i> organo-cation catalysis.","Chemical communications (Cambridge, England)","2021","57","85","11233","11235","10.1039/d1cc05205e","","x-ray","1.54184","CuKα","","0.0363","0.0335","","","0.0862","0.0884","","","","","","1.075","","","","has coordinates","270384","2021-11-06","18:54:33",""
"7129057","13.6872","0.0008","6.062","0.0003","14.0247","0.0009","90","","105.577","0.007","90","","1120.91","0.12","292.69","0.1","292.69","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl O2 -","- C13 H11 Cl O2 -","- C52 H44 Cl4 O8 -","4","1","","Zhang, Xiao-Yan; Shao, Ya-Ping; Guo, Bao-Kuan; Zhang, Kun; Zhang, Fu-Min; Zhang, Xiao-Ming; Tu, Yong-Qiang","Catalytic enantioselective synthesis of chiral spirocyclic 1,3-diketones <i>via</i> organo-cation catalysis.","Chemical communications (Cambridge, England)","2021","57","85","11233","11235","10.1039/d1cc05205e","","x-ray","1.54184","CuKα","","0.0624","0.046","","","0.1158","0.1323","","","","","","1.026","","","","has coordinates","270384","2021-11-06","18:54:33",""
"7129058","14.9047","0.0003","37.0591","0.001","12.6785","0.0003","90","","90","","90","","7003","0.3","90","0.5","90","0.5","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C72 H48 -","- C72 H48 -","- C288 H192 -","4","0.5","","Zhou, Xin; Kwon, Hyejin; Thompson, Richard R.; Herman, Robert J.; Fronczek, Frank R.; Bruns, Carson J.; Lee, Semin","Scalable synthesis of [8]cycloparaphenyleneacetylene carbon nanohoop using alkyne metathesis.","Chemical communications (Cambridge, England)","2021","57","83","10887","10890","10.1039/d1cc04776k","","","1.54184","CuKα","","0.072","0.0561","","","0.1496","0.1597","","","","","","1.045","","","","has coordinates,has disorder","270405","2021-11-06","19:02:55",""
"7129059","7.8735","0.0003","13.6168","0.0005","24.1689","0.001","90","","90","","90","","2591.19","0.17","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 Br2 O3 -","- C32 H22 Br2 O3 -","- C128 H88 Br8 O12 -","4","1","","Jia, Shiqi; Chang, Yu; Tian, Yuhong; Mao, Hui; Qin, Wenling; Wang, Pengfei; Yan, Hailong","Organocatalytic cascade reactions for multi-functionalized chiral cyclic ethers through vinylidene <i>ortho</i>-quinone methides.","Chemical communications (Cambridge, England)","2021","57","86","11334","11337","10.1039/d1cc05340j","","x-ray","0.71073","MoKα","","0.0737","0.0421","","","0.067","0.0779","","","","","","1.049","","","","has coordinates","270350","2021-11-06","18:44:59",""
"7129060","14.5583","0.0017","15.2367","0.0014","23.782","0.003","96.5875","0.0013","106.1","0.004","106.649","0.004","4746.7","0.9","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H87 B2 F8 N9 P8 Pd4 -","- C94 H87 B2 F8 N9 P8 Pd4 -","- C188 H174 B4 F16 N18 P16 Pd8 -","2","1","","Tanase, Tomoaki; Nakamae, Kanako; Miyano, Haruka; Fujisawa, Yoshimi; Ura, Yasuyuki; Nakajima, Takayuki","Electrochemical hydrogen formation catalysed by a Pd<sub>8</sub> string.","Chemical communications (Cambridge, England)","2021","57","85","11264","11267","10.1039/d1cc04788d","","","0.71075","MoKα","","","0.0368","","","","0.0974","","","","","","1.068","","","","has coordinates","270378","2021-11-06","18:52:50",""
"7129061","16.1768","0.0016","7.6356","0.0007","18.1963","0.0017","90","","92.555","0.004","90","","2245.4","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H23 F3 N2 O6 S -","- C21 H23 F3 N2 O6 S -","- C84 H92 F12 N8 O24 S4 -","4","2","","Oka, Yukari; Tsuzuki, Seiji; Moriyama, Katsuhiko","Chiral anthranilic pyrrolidine as custom-made amine catalyst for enantioselective Michael reaction of nitroalkenes with carbonyl compounds.","Chemical communications (Cambridge, England)","2021","57","87","11457","11460","10.1039/d1cc04453b","","","1.54178","CuKα","","0.056","0.0547","","","0.1526","0.1544","","","","","","1.05","","","","has coordinates,has disorder","270398","2021-11-06","18:59:29",""
"7129062","17.626","0.003","16.38","0.003","24.678","0.006","90","","95.021","0.005","90","","7098","2","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C70 H54 B2 F14 N6 -","- C70 H54 B2 F14 N6 -","- C280 H216 B8 F56 N24 -","4","0.5","","Kalaiselvan, Arumugam; Dhamija, Shaina; Aswathi, Chakrapani; De, Arijit K.; Gokulnath, Sabapathi","Planar hexaphyrin-like macrocycles turning into bis-BODIPYs with box-shaped structures exhibiting excitonic coupling.","Chemical communications (Cambridge, England)","2021","57","87","11485","11488","10.1039/d1cc04403f","","","0.71073","MoKα","","0.1175","0.063","","","0.1631","0.2088","","","","","","1.035","","","","has coordinates,has disorder","270393","2021-11-06","18:57:24",""
"7129063","12.713","0.007","16.637","0.008","17.026","0.013","94.06","0.04","105.49","0.05","104.83","0.03","3317","4","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H56 F10 N6 -","- C70 H56 F10 N6 -","- C140 H112 F20 N12 -","2","1","","Kalaiselvan, Arumugam; Dhamija, Shaina; Aswathi, Chakrapani; De, Arijit K.; Gokulnath, Sabapathi","Planar hexaphyrin-like macrocycles turning into bis-BODIPYs with box-shaped structures exhibiting excitonic coupling.","Chemical communications (Cambridge, England)","2021","57","87","11485","11488","10.1039/d1cc04403f","","","0.71073","MoKα","","0.195","0.0727","","","0.1938","0.2808","","","","","","0.974","","","","has coordinates,has disorder","270393","2021-11-06","18:57:24",""
"7129064","13.338","0.0001","13.338","0.0001","13.338","0.0001","90","","90","","90","","2372.86","0.03","293","","293","","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Ba10 Fe7.755 O12 S18 Si3 Zn5.245 -","- Ba10 Fe7.72 O12 S18 Si3 Zn5.28 -","- Ba20 Fe15.44 O24 S36 Si6 Zn10.56 -","2","0.0416667","","Almoussawi, Batoul; Arevalo-Lopez, Angel M.; Simon, Pardis; Kabbour, Houria","A High Dimensional Oxysulfide Built from Large Iron-based Clusters with Partial Charge-Ordering","Chemical Communications","2021","","","","","10.1039/D1CC04501F","","x-ray","0.56087","AgKα","","0.029","0.0223","","","0.0246","0.0275","","","","1.25","1.25","1.31","","","","has coordinates","269875","2021-10-09","21:55:36",""
"7129065","12.093","0.0006","13.4589","0.0008","17.0755","0.0007","88.492","0.004","81.618","0.004","77.71","0.004","2686.5","0.2","100.01","0.12","100.01","0.12","","","","","","","","3","P -1","-P 1","2","","","","- C61 H53 O10 -","- C61 H53 O10 -","- C122 H106 O20 -","2","1","","Zhao, Jianyi; Yang, Weiwei; Liang, Chuanyun; Gao, Liya; Xu, Jun; Sue, Andrew C.-H.; Zhao, Hongxia","Rim-differentiated Co-pillar[4+1]arenes.","Chemical communications (Cambridge, England)","2021","57","85","11193","11196","10.1039/d1cc04840f","","x-ray","0.71073","MoKα","","0.1692","0.0859","","","0.2225","0.2662","","","","","","0.968","","","","has coordinates","270381","2021-11-06","18:53:40",""
"7129066","12.9624","0.0002","20.2304","0.0002","23.4932","0.0005","88.725","0.001","77.306","0.002","79.742","0.001","5913.16","0.17","159.99","0.1","159.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C121 H115 Br2 Cl3 O20 -","- C121 H115 Br2 Cl3 O20 -","- C242 H230 Br4 Cl6 O40 -","2","1","","Zhao, Jianyi; Yang, Weiwei; Liang, Chuanyun; Gao, Liya; Xu, Jun; Sue, Andrew C.-H.; Zhao, Hongxia","Rim-differentiated Co-pillar[4+1]arenes.","Chemical communications (Cambridge, England)","2021","57","85","11193","11196","10.1039/d1cc04840f","","x-ray","1.54184","CuKα","","0.1049","0.0955","","","0.2614","0.2698","","","","","","1.054","","","","has coordinates","270381","2021-11-06","18:53:40",""
"7129067","26.62","0.01","22.211","0.008","26.964","0.009","90","","117.198","0.006","90","","14180","9","263.15","","263.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","monoclinic","","- C80 H70 B2 Cu5 N16 O86 W24 -","- C80 H70 B2 Cu5 N16 O86 W24 -","- C320 H280 B8 Cu20 N64 O344 W96 -","4","1","","Guo, Ke-Ke; Jiang, Xin-Ye; Xu, Ming; Li, Feng-Yan; Dong, Si-Meng; Zheng, Yue; Xu, Lin","An unprecedented polyoxometalate-based 1D double chain compound with opposite charges enables conductivity improvement.","Chemical communications (Cambridge, England)","2021","57","86","11398","11401","10.1039/d1cc03581a","","","0.71073","MoKα","","0.1008","0.0623","","","0.1149","0.1319","","","","","","1.042","","","","has coordinates","270352","2021-11-06","18:45:19",""
"7129068","10.0737","0.0012","19.301","0.002","23.277","0.003","90","","90","","90","","4525.8","0.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 N6 O2 Zn2 -","- C44 H62 N6 O2 Zn2 -","- C176 H248 N24 O8 Zn8 -","4","1","","Matsumoto, Arimasa; Tanaka, Ayame; Kaimori, Yoshiyasu; Hara, Natsuki; Mikata, Yuji; Soai, Kenso","Circular dichroism spectroscopy of catalyst preequilibrium in asymmetric autocatalysis of pyrimidyl alkanol.","Chemical communications (Cambridge, England)","2021","57","85","11209","11212","10.1039/d1cc04206h","","","0.71073","MoKα","","0.0506","0.0405","","","0.091","0.0948","","","","","","1.025","","","","has coordinates","270387","2021-11-06","18:54:59",""
"7129069","10.823","0.005","13.099","0.006","14.027","0.007","66.034","0.005","78.752","0.006","67.832","0.005","1680.8","1.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H110 N4 O4 Zn5 -","- C60 H110 N4 O4 Zn5 -","- C60 H110 N4 O4 Zn5 -","1","0.5","","Matsumoto, Arimasa; Tanaka, Ayame; Kaimori, Yoshiyasu; Hara, Natsuki; Mikata, Yuji; Soai, Kenso","Circular dichroism spectroscopy of catalyst preequilibrium in asymmetric autocatalysis of pyrimidyl alkanol.","Chemical communications (Cambridge, England)","2021","57","85","11209","11212","10.1039/d1cc04206h","","","0.71073","MoKα","","0.1326","0.0964","","","0.2662","0.3064","","","","","","1.071","","","","has coordinates,has disorder","270387","2021-11-06","18:55:00",""
"7129070","15.9339","0.0005","11.8086","0.0003","18.6639","0.0005","90","","106.344","0.002","90","","3369.83","0.17","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Er F8 I N4 O2 -","- C34 H30 Er F8 I N4 O2 -","- C136 H120 Er4 F32 I4 N16 O8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.0273","0.0205","","","0.0423","0.0445","","","","","","1.015","","","","has coordinates","270395","2021-11-06","18:58:51",""
"7129071","12.8662","0.0009","9.495","0.0006","23.738","0.0016","90","","91.727","0.003","90","","2898.6","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 F4 I2 N2 Nd O3 -","- C25 H31 F4 I2 N2 Nd O3 -","- C100 H124 F16 I8 N8 Nd4 O12 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.017","0.0153","","","0.0315","0.032","","","","","","1.117","","","","has coordinates","270395","2021-11-06","18:58:54",""
"7129072","12.811","0.003","9.475","0.0019","23.728","0.005","90","","91.79","0.03","90","","2878.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 F4 Gd I2 N2 O3 -","- C25 H31 F4 Gd I2 N2 O3 -","- C100 H124 F16 Gd4 I8 N8 O12 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0358","0.0335","","","0.0791","0.0797","","","","","","1.183","","","","has coordinates","270395","2021-11-06","18:58:54",""
"7129073","15.9539","0.0004","11.8143","0.0003","18.6508","0.0004","90","","106.585","0.001","90","","3369.13","0.14","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 F8 I N4 O2 Tm -","- C34 H30 F8 I N4 O2 Tm -","- C136 H120 F32 I4 N16 O8 Tm4 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.0187","0.0161","","","0.0362","0.038","","","","","","1.154","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129074","16.009","0.003","11.879","0.002","18.931","0.004","90","","106.04","0.03","90","","3460","1.3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 F8 Gd I N4 O2 -","- C34 H30 F8 Gd I N4 O2 -","- C136 H120 F32 Gd4 I4 N16 O8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0328","0.0323","","","0.0917","0.0921","","","","","","1.103","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129075","15.937","0.003","11.807","0.002","18.619","0.004","90","","106.55","0.03","90","","3358.4","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 F8 I Lu N4 O2 -","- C34 H30 F8 I Lu N4 O2 -","- C136 H120 F32 I4 Lu4 N16 O8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0269","0.0251","","","0.0683","0.0694","","","","","","1.091","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129076","15.9491","0.0004","11.8365","0.0003","18.7114","0.0006","90","","106.203","0.002","90","","3392.06","0.17","123","2","123.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Dy F8 I N4 O2 -","- C34 H30 Dy F8 I N4 O2 -","- C136 H120 Dy4 F32 I4 N16 O8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.0323","0.0225","","","0.0385","0.0413","","","","","","1.07","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129077","19.141","0.004","10.909","0.002","38.732","0.008","90","","92.82","0.03","90","","8078","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43 F8 N4 Nd O3 -","- C43 H43 F8 N4 Nd O3 -","- C344 H344 F64 N32 Nd8 O24 -","8","2","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0932","0.0802","","","0.2112","0.2256","","","","","","1.056","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129078","18.997","0.003","18.997","0.003","43.447","0.009","90","","90","","120","","13579","4","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C25 H35 Eu I2 N3 O2.5 -","- C25 H35 Eu I2 N3 O2.5 -","- C450 H630 Eu18 I36 N54 O45 -","18","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0421","0.0339","","","0.0962","0.1009","","","","","","1.063","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129079","15.929","0.003","11.845","0.002","18.679","0.004","90","","106.19","0.03","90","","3384.6","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 F8 Ho I N4 O2 -","- C34 H30 F8 Ho I N4 O2 -","- C136 H120 F32 Ho4 I4 N16 O8 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0203","0.0201","","","0.0504","0.0505","","","","","","1.102","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129080","11.6323","0.0003","13.4896","0.0003","16.2376","0.0005","99.391","0.002","106.182","0.003","97.937","0.002","2368.45","0.12","122.99","0.1","122.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H75 I2 Lu N2 O5 -","- C45 H75 I2 Lu N2 O5 -","- C90 H150 I4 Lu2 N4 O10 -","2","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","x-ray","0.71073","MoKα","","0.0632","0.0492","","","0.1282","0.1391","","","","","","1.062","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129081","19.6958","0.0003","18.9803","0.0003","24.0171","0.0005","90","","90","","90","","8978.4","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H67 I2 N2 Nd O4 -","- C41 H67 I2 N2 Nd O4 -","- C328 H536 I16 N16 Nd8 O32 -","8","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.045","0.0309","","","0.0691","0.075","","","","","","1.071","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129082","9.623","0.0019","23.486","0.005","12.883","0.003","90","","92.89","0.03","90","","2907.9","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 F4 I2 N2 O3 Sm -","- C25 H31 F4 I2 N2 O3 Sm -","- C100 H124 F16 I8 N8 O12 Sm4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0288","0.0271","","","0.0679","0.0687","","","","","","1.057","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129083","18.831","0.004","19.561","0.004","24.134","0.005","90","","90","","90","","8890","3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H67 Gd I2 N2 O4 -","- C41 H67 Gd I2 N2 O4 -","- C328 H536 Gd8 I16 N16 O32 -","8","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","Synchrotron","","0.0731","0.0679","","","0.1473","0.149","","","","","","1.137","","","","has coordinates,has disorder","270395","2021-11-06","18:58:55",""
"7129084","12.8569","0.0003","17.2704","0.0004","18.0267","0.0005","90","","107.775","0.001","90","","3811.64","0.17","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H29 Eu F8 N7 -","- C41 H29 Eu F8 N7 -","- C164 H116 Eu4 F32 N28 -","4","0.5","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","A simple one-pot route to stable formamidinatoiodidolanthanoid(III) complexes from lanthanoid metals.","Chemical communications (Cambridge, England)","2021","57","87","11513","11516","10.1039/d1cc04080d","","","0.71073","MoKα","","0.0289","0.0229","","","0.0442","0.0464","","","","","","1.058","","","","has coordinates","270395","2021-11-06","18:58:55",""
"7129085","9.453","0.0019","10.884","0.002","13.043","0.003","104.06","0.03","110.34","0.03","96.49","0.03","1191.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","PN-TPN","","- C32 H24 N P -","- C32 H24 N P -","- C64 H48 N2 P2 -","2","1","","Park, Jupil; Kim, So Jung; Kwon, Hansol; Jin, Eunji; Yoon, Kihwan; Kim, HyunHo; Shadman, Sahar; Choe, Wonyoung; Kim, Joonghan; Park, Young S.","PN-doped tetraphenylnaphthalene: A straightforward synthetic strategy analogous to BN-annulation","Chemical Communications","2021","","","","","10.1039/D1CC04785J","","","0.71073","MoKα","","0.0959","0.0621","","","0.118","0.1301","","","","","","1.014","","","","has coordinates","269912","2021-10-13","22:02:13",""
"7129086","10.347","0.002","11.03","0.002","11.987","0.002","69.43","0.03","86.51","0.03","71.1","0.03","1209.6","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N O P -","- C32 H24 N O P -","- C64 H48 N2 O2 P2 -","2","1","","Park, Jupil; Kim, So Jung; Kwon, Hansol; Jin, Eunji; Yoon, Kihwan; Kim, HyunHo; Shadman, Sahar; Choe, Wonyoung; Kim, Joonghan; Park, Young S.","PN-doped tetraphenylnaphthalene: A straightforward synthetic strategy analogous to BN-annulation","Chemical Communications","2021","","","","","10.1039/D1CC04785J","","","0.71073","MoKα","","0.0704","0.0477","","","0.0924","0.1009","","","","","","1.04","","","","has coordinates","269912","2021-10-13","22:02:14",""
"7129087","11.2012","0.0004","15.0828","0.0005","15.7471","0.0006","116.793","0.004","107.386","0.003","91.672","0.003","2223.96","0.17","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H27 Cl2 F12 N4 O7 Re S2 -","- C41 H27 Cl2 F12 N4 O7 Re S2 -","- C82 H54 Cl4 F24 N8 O14 Re2 S4 -","2","1","","Leung, Peter Kam-Keung; Lee, Lawrence Cho-Cheung; Ip, Tiffany Ka-Yan; Liu, Hua-Wei; Yiu, Shek-Man; Lee, Nikki P.; Lo, Kenneth Kam-Wing","Luminescent rhenium(I) perfluorobiphenyl complexes as site-specific labels for peptides to afford photofunctional bioconjugates.","Chemical communications (Cambridge, England)","2021","57","85","11256","11259","10.1039/d1cc04740j","","","1.54178","CuKα","","0.036","0.0353","","","0.0912","0.0917","","","","","","1.068","","","","has coordinates","270383","2021-11-06","18:54:25",""
"7129088","36.302","0.004","8.042","0.001","5.3509","0.0006","90","","90","","90","","1562.1","0.3","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Li, Qiao; Cai, Yun; Hu, Yuanyuan; Jin, Hongwei; Chen, Fener; Liu, Yunkui; Zhou, Bingwei","Nickel-catalyzed cyclization of 1,7-enynes for the selective synthesis of dihydrocyclobuta[<i>c</i>]quinolin-3-ones and benzo[<i>b</i>]azocin-2-ones.","Chemical communications (Cambridge, England)","2021","57","88","11657","11660","10.1039/d1cc04750g","","","1.34139","GaKα","","0.0536","0.0424","","","0.1024","0.1113","","","","","","1.061","","","","has coordinates","270347","2021-11-06","18:42:15",""
"7129089","9.1329","0.0004","36.3892","0.0015","10.2426","0.0004","90","","96.38","0.003","90","","3382.9","0.2","173.05","0.1","173.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 Al N2 O -","- C36 H49 Al N2 O -","- C144 H196 Al4 N8 O4 -","4","1","","Brown, Ryan K.; Hooper, Thomas N.; Rekhroukh, Feriel; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark R.","Alumination of aryl methyl ethers: switching between sp<sup>2</sup> and sp<sup>3</sup> C-O bond functionalisation with Pd-catalysis.","Chemical communications (Cambridge, England)","2021","57","88","11673","11676","10.1039/d1cc05408b","","x-ray","0.71073","MoKα","","0.0905","0.0633","","","0.1424","0.162","","","","","","1.088","","","","has coordinates","270408","2021-11-06","19:19:04",""
"7129090","14.1139","0.0008","14.5855","0.0009","18.1458","0.001","82.674","0.005","80.349","0.005","88.508","0.005","3652.5","0.4","173.05","0.1","173.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H55 Al N2 O3 -","- C39 H55 Al N2 O3 -","- C156 H220 Al4 N8 O12 -","4","2","","Brown, Ryan K.; Hooper, Thomas N.; Rekhroukh, Feriel; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark R.","Alumination of aryl methyl ethers: switching between sp<sup>2</sup> and sp<sup>3</sup> C-O bond functionalisation with Pd-catalysis.","Chemical communications (Cambridge, England)","2021","57","88","11673","11676","10.1039/d1cc05408b","","x-ray","0.71073","MoKα","","0.0742","0.0482","","","0.1172","0.132","","","","","","1.02","","","","has coordinates","270408","2021-11-06","19:19:05",""
"7129091","8.8671","0.0002","22.1194","0.0007","38.8787","0.0011","90","","90","","90","","7625.5","0.4","173","0.14","173","0.14","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H51 Al N2 O2 -","- C37 H51 Al N2 O2 -","- C296 H408 Al8 N16 O16 -","8","1","","Brown, Ryan K.; Hooper, Thomas N.; Rekhroukh, Feriel; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark R.","Alumination of aryl methyl ethers: switching between sp<sup>2</sup> and sp<sup>3</sup> C-O bond functionalisation with Pd-catalysis.","Chemical communications (Cambridge, England)","2021","57","88","11673","11676","10.1039/d1cc05408b","","x-ray","0.71073","MoKα","","0.0768","0.0552","","","0.1311","0.1434","","","","","","1.045","","","","has coordinates","270408","2021-11-06","19:19:05",""
"7129092","11.4499","0.0004","18.5015","0.0006","17.1875","0.0005","90","","104.408","0.003","90","","3526.5","0.2","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 Al N2 O -","- C38 H53 Al N2 O -","- C152 H212 Al4 N8 O4 -","4","1","","Brown, Ryan K.; Hooper, Thomas N.; Rekhroukh, Feriel; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark R.","Alumination of aryl methyl ethers: switching between sp<sup>2</sup> and sp<sup>3</sup> C-O bond functionalisation with Pd-catalysis.","Chemical communications (Cambridge, England)","2021","57","88","11673","11676","10.1039/d1cc05408b","","x-ray","0.71073","MoKα","","0.0699","0.048","","","0.1113","0.1237","","","","","","1.019","","","","has coordinates","270408","2021-11-06","19:19:05",""
"7129093","17.6433","0.0003","20.3069","0.0003","18.5103","0.0003","90","","95.838","0.002","90","","6597.49","0.18","173","3","173","3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H49 Al N2 O -","- C36 H49 Al N2 O -","- C288 H392 Al8 N16 O8 -","8","1","","Brown, Ryan K.; Hooper, Thomas N.; Rekhroukh, Feriel; White, Andrew J. P.; Costa, Paulo J.; Crimmin, Mark R.","Alumination of aryl methyl ethers: switching between sp<sup>2</sup> and sp<sup>3</sup> C-O bond functionalisation with Pd-catalysis.","Chemical communications (Cambridge, England)","2021","57","88","11673","11676","10.1039/d1cc05408b","","x-ray","1.54184","CuKα","","0.0607","0.049","","","0.1325","0.1438","","","","","","1.05","","","","has coordinates","270408","2021-11-06","19:19:05",""
"7129094","7.766","0.0008","15.9828","0.0016","12.3621","0.0012","90","","105.335","0.002","90","","1479.8","0.3","296.15","","296.15","","","","","","","","Roomtemperature","6","P 1 21/c 1","-P 2ybc","14","o-I-BDP","o-I-BDP","","- C15 H10 B F2 I N2 -","- C15 H10 B F2 I N2 -","- C60 H40 B4 F8 I4 N8 -","4","1","","Feng, Siyang; Qu, Zhirong; Zhou, Zhikuan; Chen, Jiaying; Gai, Lizhi; Lu, Hua","Si-Bridged annulated BODIPYs: synthesis, unique structure and photophysical properties.","Chemical communications (Cambridge, England)","2021","57","88","11689","11692","10.1039/d1cc04687j","","","0.71073","MoKα","","0.053","0.0371","","","0.0857","0.0939","","","","","","1.037","","","","has coordinates","270407","2021-11-06","19:05:20",""
"7129095","9.515","0.003","10.803","0.004","11.632","0.004","103.385","0.006","102.11","0.006","95.597","0.006","1123.8","0.7","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H19 B F2 N2 Si -","- C27 H19 B F2 N2 Si -","- C54 H38 B2 F4 N4 Si2 -","2","1","","Feng, Siyang; Qu, Zhirong; Zhou, Zhikuan; Chen, Jiaying; Gai, Lizhi; Lu, Hua","Si-Bridged annulated BODIPYs: synthesis, unique structure and photophysical properties.","Chemical communications (Cambridge, England)","2021","57","88","11689","11692","10.1039/d1cc04687j","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","270407","2021-11-06","19:05:21",""
"7129096","10.1352","0.0003","18.7726","0.0005","15.8738","0.0005","90","","103.95","0.003","90","","2931.14","0.15","297.1","0.5","297.1","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","2","","Chen, Xiangtao; Yu, Lei; Wang, Huijing; Zhang, Wen; Tang, Pei; Chen, Fener","Stereoselective total synthesis of (±)-vindeburnol and (±)-16-<i>epi</i>-vindeburnol.","Chemical communications (Cambridge, England)","2021","57","88","11669","11672","10.1039/d1cc04980a","","x-ray","1.54184","CuKα","","0.0654","0.0565","","","0.1488","0.1611","","","","","","1.028","","","","has coordinates","270406","2021-11-06","19:05:10",""
"7129097","10.047","0.0002","11.2058","0.00019","13.1505","0.0003","90","","101.241","0.002","90","","1452.14","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Chen, Xiangtao; Yu, Lei; Wang, Huijing; Zhang, Wen; Tang, Pei; Chen, Fener","Stereoselective total synthesis of (±)-vindeburnol and (±)-16-<i>epi</i>-vindeburnol.","Chemical communications (Cambridge, England)","2021","57","88","11669","11672","10.1039/d1cc04980a","","","1.54184","CuKα","","0.0711","0.0648","","","0.1612","0.171","","","","","","1.06","","","","has coordinates","270406","2021-11-06","19:05:11",""
"7129098","6.52889","0.00015","26.9565","0.0006","9.50589","0.00019","90","","104.117","0.002","90","","1622.47","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Chen, Xiangtao; Yu, Lei; Wang, Huijing; Zhang, Wen; Tang, Pei; Chen, Fener","Stereoselective total synthesis of (±)-vindeburnol and (±)-16-<i>epi</i>-vindeburnol.","Chemical communications (Cambridge, England)","2021","57","88","11669","11672","10.1039/d1cc04980a","","","1.54184","CuKα","","0.0585","0.0533","","","0.1467","0.1525","","","","","","1.062","","","","has coordinates","270406","2021-11-06","19:05:11",""
"7129099","9.1512","0.0014","10.0552","0.0016","11.032","0.002","79.734","0.007","81.052","0.008","74.73","0.008","957.3","0.3","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 Si -","- C26 H20 Si -","- C52 H40 Si2 -","2","1","","Ito, Shotaro; Ishii, Youichi; Ishimura, Kazuya; Kuwabara, Takuya","A new strategy for hyperconjugative antiaromatic compounds utilizing negative charges: a dibenzo[<i>b</i>,<i>f</i>]silepinyl dianion.","Chemical communications (Cambridge, England)","2021","57","86","11330","11333","10.1039/d1cc04434f","","","0.71075","MoKα","","0.0673","0.045","","","0.1012","0.111","","","","","","1.009","","","","has coordinates","270349","2021-11-06","18:44:52",""
"7129100","8.9514","0.0018","19.204","0.004","11.397","0.002","90","","98.546","0.004","90","","1937.4","0.7","93","2","93","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Si -","- C26 H22 Si -","- C104 H88 Si4 -","4","1","","Ito, Shotaro; Ishii, Youichi; Ishimura, Kazuya; Kuwabara, Takuya","A new strategy for hyperconjugative antiaromatic compounds utilizing negative charges: a dibenzo[<i>b</i>,<i>f</i>]silepinyl dianion.","Chemical communications (Cambridge, England)","2021","57","86","11330","11333","10.1039/d1cc04434f","","","0.71075","MoKα","","0.1038","0.0665","","","0.1366","0.1568","","","","","","1.048","","","","has coordinates","270349","2021-11-06","18:44:52",""
"7129101","10.6771","0.0012","23.008","0.002","16.8602","0.0018","90","","98.541","0.002","90","","4095.9","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 Li2 O5 Si -","- C46 H60 Li2 O5 Si -","- C184 H240 Li8 O20 Si4 -","4","1","","Ito, Shotaro; Ishii, Youichi; Ishimura, Kazuya; Kuwabara, Takuya","A new strategy for hyperconjugative antiaromatic compounds utilizing negative charges: a dibenzo[<i>b</i>,<i>f</i>]silepinyl dianion.","Chemical communications (Cambridge, England)","2021","57","86","11330","11333","10.1039/d1cc04434f","","","0.71075","MoKα","","0.0595","0.0494","","","0.1199","0.1285","","","","","","1.053","","","","has coordinates,has disorder","270349","2021-11-06","18:44:52",""
"7129102","8.7954","0.0013","19.899","0.003","13.0118","0.0018","90","","108.107","0.016","90","","2164.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O4 S -","- C24 H20 N2 O4 S -","- C96 H80 N8 O16 S4 -","4","1","","Li, Rui-Li; Fang, Qing-Yun; Li, Mei-Yuan; Wang, Xiang-Shan; Zhao, Li-Ming","A rearrangement of saccharin-derived cyclic ketimines with 3-chlorooxindoles leading to spiro-1,3-benzothiazine oxindoles.","Chemical communications (Cambridge, England)","2021","57","86","11322","11325","10.1039/d1cc04179g","","x-ray","0.71073","MoKα","","0.1297","0.0675","","","0.1257","0.1544","","","","","","1.027","","","","has coordinates","270348","2021-11-06","18:44:41",""
"7129103","11.3994","0.0008","10.3299","0.0008","20.9886","0.0015","90","","97.981","0.001","90","","2447.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O4 -","- C29 H26 N2 O4 -","- C116 H104 N8 O16 -","4","1","","Tang, Shi; Ding, Shumin; Li, Dan; Li, Lianjie; Zhao, Haixia; Chai, Minxue; Wang, Jian","Palladium-catalysed imidoylative spirocyclization of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2021","57","81","10576","10579","10.1039/d1cc03240b","","","0.71073","MoKα","","0.0874","0.0676","","","0.1863","0.2006","","","","","","1.069","","","","has coordinates","269921","2021-10-13","22:07:23",""
"7129104","8.4101","0.0002","11.1055","0.0003","25.7204","0.0007","90","","93.86","0.002","90","","2396.79","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O6 -","- C26 H26 N2 O6 -","- C104 H104 N8 O24 -","4","1","","Tang, Shi; Ding, Shumin; Li, Dan; Li, Lianjie; Zhao, Haixia; Chai, Minxue; Wang, Jian","Palladium-catalysed imidoylative spirocyclization of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2021","57","81","10576","10579","10.1039/d1cc03240b","","","1.54178","CuKα","","0.0844","0.0723","","","0.2024","0.2179","","","","","","1.051","","","","has coordinates","269921","2021-10-13","22:07:23",""
"7129105","8.3815","0.0002","7.1324","0.0001","10.0251","0.0002","90","","103.832","0.001","90","","581.92","0.02","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","RR-626-F1_200K","","","- C12 H13 Br O3 -","- C12 H13 Br O3 -","- C24 H26 Br2 O6 -","2","1","","Del Río-Rodríguez, Roberto; Laina-Martín, Víctor; Fernández-Salas, Jose A; Alemán, José","Enantioselective vinylogous Mukaiyama aldol reaction of α-ketoesters under bifunctional organocatalysis.","Chemical communications (Cambridge, England)","2021","57","88","11665","11668","10.1039/d1cc04263g","","","0.71073","MoKα","","0.0195","0.0183","","","0.0462","0.0547","","","","","","1.183","","","","has coordinates","270346","2021-11-06","18:36:18",""
"7129106","11.4679","0.0011","3.8858","0.0004","24.813","0.003","90","","95.936","0.01","90","","1099.8","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 Br N3 -","- C13 H10 Br N3 -","- C52 H40 Br4 N12 -","4","1","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","x-ray","0.71073","MoKα","","0.1171","0.0696","","","0.1151","0.1324","","","","","","1.063","","","","has coordinates","270380","2021-11-06","18:53:26",""
"7129107","10.5589","0.0007","14.5471","0.0009","21.514","0.0012","71.694","0.005","81.751","0.005","70.445","0.006","2953.7","0.3","100","0.2","100","","","","","","","","","7","P -1","-P 1","2","","IR-LT-020(3L1M)","","- C61.62 H49.07 B2 F7.84 Fe N14.07 O3 -","- C61.626 H49.074 B2 F7.84 Fe N14.073 O3 -","- C123.252 H98.148 B4 F15.68 Fe2 N28.146 O6 -","2","1","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","","0.71073","MoKα","","0.1325","0.0896","","","0.23","0.2558","","","","","","1.058","","","","has coordinates,has disorder","270380","2021-11-06","18:53:29",""
"7129108","8.3959","0.0014","10.4913","0.0017","10.5635","0.0018","75.42","0.014","86.542","0.013","79.753","0.014","886","0.3","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","AIR3","","- C20.62 H19.53 Br0.05 N3.96 O1.9 -","- C20.6256 H19.532 Br0.0468 N3.9532 O1.9064 -","- C41.2512 H39.064 Br0.0936 N7.9064 O3.8128 -","2","1","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","x-ray","0.71073","MoKα","","0.1154","0.0797","","","0.1992","0.2417","","","","","","1.068","","","","has coordinates,has disorder","270380","2021-11-06","18:53:29",""
"7129109","15.105","0.003","15.136","0.002","19.131","0.003","73.976","0.013","70.124","0.014","60.931","0.019","3562.4","1.2","150","0.1","150","","","","","","","","","6","P -1","-P 1","2","","1","","- C63 H54 B2 F8 Fe N16 -","- C63 H54 B2 F8 Fe N16 -","- C126 H108 B4 F16 Fe2 N32 -","2","1","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","","1.54184","CuKα","","0.178","0.0955","","","0.2538","0.3085","","","","","","0.94","","","","has coordinates","270380","2021-11-06","18:53:29",""
"7129110","26.433","0.002","26.433","0.002","22.1827","0.0013","90","","90","","120","","13422.6","1.6","100","","100","","","","","","","","","6","P 31 2 1","P 31 2""","152","","IR-LT-020(9.28)","","- C126 H108 B7 F34 Fe6 N32 -","- C126 H108 B7 F34 Fe6 N32 -","- C378 H324 B21 F102 Fe18 N96 -","3","0.5","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","","0.6889","synchrotron","","0.1397","0.1094","","","0.2905","0.3273","","","","","","1.277","","","","has coordinates,has disorder","270380","2021-11-06","18:53:29",""
"7129111","7.2185","0.0006","8.4349","0.0007","13.3131","0.0007","73.182","0.006","87.767","0.006","68.261","0.008","718.62","0.11","100","","100","","","","","","","","","4","P -1","-P 1","2","","IR-LT-ligand","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C38 H28 N8 O2 -","2","1","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","x-ray","0.6889","Synchrotron","","0.1111","0.0735","","","0.1884","0.2089","","","","","","0.976","","","","has coordinates","270380","2021-11-06","18:53:29",""
"7129112","26.679","0.003","26.679","0.003","21.8284","0.0011","90","","90","","120","","13455","2","100","","100","","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C126 H108 B7 F34 Fe6 N32 -","- C126 H108 B7 F34 Fe6 N32 -","- C378 H324 B21 F102 Fe18 N96 -","3","0.5","","Taylor, Lauren L. K.; Vitorica-Yrezabal, Iñigo J; Borilović, Ivana; Tuna, Floriana; Riddell, Imogen A.","Self-assembly of a trigonal bipyramidal architecture with stabilisation of iron in three spin states.","Chemical communications (Cambridge, England)","2021","57","85","11252","11255","10.1039/d1cc04413c","","","0.6889","synchrotron","","0.1572","0.0789","","","0.2135","0.2678","","","","","","0.969","","","","has coordinates,has disorder","270380","2021-11-06","18:53:29",""
"7129113","11.4085","0.0004","14.0475","0.0006","10.6955","0.0004","90","","102.008","0.002","90","","1676.56","0.11","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","In-zijing","","- C26 H32 Cl7 In N4 O4 -","- C26 H32 Cl7 In N4 O4 -","- C52 H64 Cl14 In2 N8 O8 -","2","0.5","","Pan, Qiu-Yue; Sun, Meng-En; Zhang, Chong; Li, Lin-Ke; Liu, Hua-Li; Li, Kai-Jie; Li, Hai-Yang; Zang, Shuang-Quan","A multi-responsive indium-viologen hybrid with ultrafast-response photochromism and electrochromism.","Chemical communications (Cambridge, England)","2021","57","86","11394","11397","10.1039/d1cc05070b","","","0.71073","MoKα","","0.0757","0.072","","","0.1885","0.1899","","","","","","1.308","","","","has coordinates,has disorder","270351","2021-11-06","18:45:08",""
"7129114","27.561","0.001","27.561","0.001","17.9581","0.0006","90","","90","","120","","11813.6","0.7","233","","233","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 I2 O11 Zn2 -","- C20 H16 I2 O11 Zn2 -","- C360 H288 I36 O198 Zn36 -","18","1","","Harada, Yuki; Kusaka, Shinpei; Nakajo, Toshinobu; Kumagai, Jun; Kim, Cho Rong; Shim, Joo Young; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro","Stabilization of Radical Active Species in a MOF Nanospace to Exploit Unique Reaction Pathways","Chemical Communications","2021","","","","","10.1039/D1CC04267J","","x-ray","0.71073","MoKα","","0.1167","0.1068","","","0.3737","0.3887","","","","","","1.823","","","","has coordinates,has disorder","269951","2021-10-14","21:56:42",""
"7129115","8.8591","0.0013","10.2949","0.0015","14.571","0.002","96.607","0.005","97.226","0.005","94.321","0.005","1304.2","0.3","130","2","130","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H33 Br2 Mn N4 O P -","- C21 H33 Br2 Mn N4 O P -","- C42 H66 Br4 Mn2 N8 O2 P2 -","2","1","","Huang, Kuo-Wei; Gholap, Sandeep S.; Al-Dakhil, Abdullah; Chakraborty, Priyanka; Li, Huaifeng; Dutta, Indranil; Das, Pradip","Efficient and chemoselective hydrogenation of aldehydes catalyzed by a well-defined PN3 -pincer manganese (II) catalyst precursor: an application in furfural conversion","Chemical Communications","2021","","","","","10.1039/D1CC04808B","","","0.71073","MoKα","","0.0935","0.0521","","","0.1274","0.1462","","","","","","1.005","","","","has coordinates","269969","2021-10-15","21:56:12",""
"7129116","12.9997","0.0016","12.4522","0.0013","14.3781","0.0018","90","","109.245","0.005","90","","2197.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 Mn N3 P -","- C18 H26 Cl2 Mn N3 P -","- C72 H104 Cl8 Mn4 N12 P4 -","4","1","","Huang, Kuo-Wei; Gholap, Sandeep S.; Al-Dakhil, Abdullah; Chakraborty, Priyanka; Li, Huaifeng; Dutta, Indranil; Das, Pradip","Efficient and chemoselective hydrogenation of aldehydes catalyzed by a well-defined PN3 -pincer manganese (II) catalyst precursor: an application in furfural conversion","Chemical Communications","2021","","","","","10.1039/D1CC04808B","","","0.71073","MoKα","","0.0699","0.0427","","","0.1227","0.1588","","","","","","1.055","","","","has coordinates","269969","2021-10-15","21:56:13",""
"7129117","5.1221","0.0002","14.0899","0.0005","18.2239","0.0006","90","","90","","90","","1315.22","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","1","","Zhou, Jianrong Steve; Guo, Siyu; Zhao, Xiaohu; Chi, Yonggui Robin","Nickel-catalyzed enantioselective umpolung hydrogenation for stereoselective synthesis of β-amido esters.","Chemical communications (Cambridge, England)","2021","57","87","11501","11504","10.1039/d1cc05257h","","","1.54178","CuKα","","0.0444","0.041","","","0.1062","0.1105","","","","","","1.062","","","","has coordinates","270396","2021-11-06","18:59:04",""
"7129118","11.7573","0.0007","8.9712","0.0005","14.1527","0.0008","90","","98.386","0.002","90","","1476.82","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H37 N3 O7 -","- C34 H37 N3 O7 -","- C68 H74 N6 O14 -","2","1","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.0419","0.0416","","","0.1094","0.1097","","","","","","0.986","","","","has coordinates","269971","2021-10-15","21:57:37",""
"7129119","8.9055","0.0009","9.481","0.0009","25.62","0.003","90","","90","","90","","2163.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 F3 N2 O2 -","- C25 H21 F3 N2 O2 -","- C100 H84 F12 N8 O8 -","4","1","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.028","0.0259","","","0.0917","0.0955","","","","","","0.963","","","","has coordinates","269971","2021-10-15","21:57:41",""
"7129120","8.9813","0.0003","15.1981","0.0005","11.1421","0.0003","90","","90.699","0.002","90","","1520.77","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 F3 N2 O3 -","- C15 H17 F3 N2 O3 -","- C60 H68 F12 N8 O12 -","4","2","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.0276","0.0267","","","0.0767","0.0783","","","","","","0.594","","","","has coordinates","269971","2021-10-15","21:57:43",""
"7129121","11.0402","0.0005","6.9374","0.0003","11.4994","0.0005","90","","109.836","0.002","90","","828.49","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O2 -","- C18 H17 F3 N2 O2 -","- C36 H34 F6 N4 O4 -","2","1","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.0358","0.0357","","","0.0923","0.0923","","","","","","0.663","","","","has coordinates","269971","2021-10-15","21:57:44",""
"7129122","10.32987","0.00014","14.773","0.0002","20.5303","0.0003","90","","99.0954","0.0013","90","","3093.6","0.08","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Cl N2 O3 Rh -","- C31 H36 Cl N2 O3 Rh -","- C124 H144 Cl4 N8 O12 Rh4 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0322","0.0278","","","0.066","0.0683","","","","","","1.044","","","","has coordinates","270399","2021-11-06","19:00:07",""
"7129123","21.7877","0.0002","12.66021","0.00012","37.743","0.0004","90","","99.9129","0.001","90","","10255.5","0.18","140","0.1","140","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H72 N4 O2 -","- C58 H72 N4 O2 -","- C464 H576 N32 O16 -","8","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0525","0.0448","","","0.1164","0.1232","","","","","","1.029","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129124","6.2198","0.0003","15.0126","0.0007","7.3727","0.0003","90","","96.876","0.004","90","","683.48","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C28 H32 N8 O4 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0372","0.0321","","","0.0849","0.0891","","","","","","1.068","","","","has coordinates","270399","2021-11-06","19:00:07",""
"7129125","8.2887","0.0003","12.5359","0.0004","16.8607","0.0005","86.331","0.003","82.998","0.003","86.923","0.003","1733.44","0.1","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H47 Cl N2 O Pd -","- C38 H47 Cl N2 O Pd -","- C76 H94 Cl2 N4 O2 Pd2 -","2","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0339","0.029","","","0.0637","0.0685","","","","","","1.104","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129126","20.58217","0.00016","16.76993","0.00007","20.98706","0.00016","90","","114.727","0.0009","90","","6579.73","0.09","140","0.1","140","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 N2 O2 -","- C38 H48 N2 O2 -","- C304 H384 N16 O16 -","8","2","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0441","0.0391","","","0.0982","0.1017","","","","","","1.027","","","","has coordinates","270399","2021-11-06","19:00:07",""
"7129127","9.28771","0.00011","13.5951","0.0002","15.3562","0.0003","90","","90.79","0.0015","90","","1938.8","0.05","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O -","- C23 H24 N2 O -","- C92 H96 N8 O4 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0489","0.0385","","","0.1019","0.1086","","","","","","1.016","","","","has coordinates","270399","2021-11-06","19:00:07",""
"7129128","16.825","0.0004","8.93762","0.00018","21.4865","0.0004","90","","108.212","0.002","90","","3069.19","0.12","140","0.1","140.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C29 H36 N2 O -","- C29 H36 N2 O -","- C116 H144 N8 O4 -","4","0.5","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","","1.54184","CuKα","","0.0493","0.0379","","","0.1002","0.1035","","","","","","0.996","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129129","8.29535","0.00012","10.67345","0.00016","36.5755","0.0005","90","","92.092","0.0011","90","","3236.24","0.08","140","0.1","140","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 N2 S5 -","- C31 H36 N2 S5 -","- C124 H144 N8 S20 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0356","0.0321","","","0.0806","0.0832","","","","","","1.028","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129130","24.5239","0.0007","29.6444","0.0009","16.5867","0.0005","90","","95.752","0.003","90","","11997.8","0.6","140","0.1","140","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H75 Br0.47 Cl2.53 N4 O2 -","- C59 H75 Br0.471 Cl2.529 N4 O2 -","- C472 H600 Br3.768 Cl20.232 N32 O16 -","8","2","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.1362","0.0727","","","0.1748","0.2142","","","","","","0.996","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129131","11.8074","0.0004","16.1835","0.0006","16.625","0.0007","62.421","0.004","83.645","0.003","82.289","0.003","2786.1","0.2","140","0.1","140","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","2","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0739","0.0523","","","0.1407","0.1521","","","","","","0.995","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129132","10.39335","0.00014","19.4815","0.0002","16.5164","0.0002","90","","100.79","0.0013","90","","3285.08","0.07","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H39.5 Cl3 Ga N2 O -","- C32.5 H39.5 Cl3 Ga N2 O -","- C130 H158 Cl12 Ga4 N8 O4 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0397","0.032","","","0.0826","0.0877","","","","","","1.03","","","","has coordinates,has disorder","270399","2021-11-06","19:00:07",""
"7129133","20.61099","0.00013","12.54486","0.00009","10.50093","0.00007","90","","90","","90","","2715.14","0.03","140","0.1","140","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H36 Au Cl N2 O -","- C29 H36 Au Cl N2 O -","- C116 H144 Au4 Cl4 N8 O4 -","4","1","","Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.","Chemical communications (Cambridge, England)","2021","57","87","11509","11512","10.1039/d1cc05161j","","x-ray","1.54184","CuKα","","0.0309","0.0309","","","0.0827","0.0827","","","","","","1.099","","","","has coordinates","270399","2021-11-06","19:00:07",""
"7129134","12.92","","65.967","","18.697","","90","","94.64","","90","","15883.1","","100","2","100","2","","","","","","","","2","C 1 c 1","C -2yc","9","Ring","","","- C92 H70 -","- C92 H70 -","- C736 H560 -","8","2","","Du, Pingwu; Wang, Shengda; Huang, Qiang; Wang, Jinyi; Huang, Pingsen; Fang, Pengwei","Precise Membrane Separation of Nanoparticles Using a Microporous Polymer Containing Radially π-Conjugated Molecular Carbocycles","Chemical Communications","2021","","","","","10.1039/D1CC04480J","","","0.71073","synchrotron","","0.0514","0.0452","","","0.1193","0.1226","","","","","","1.029","","","","has coordinates","270011","2021-10-18","21:54:30",""
"7129135","10.7066","0.0013","7.5896","0.0008","7.8261","0.0008","90","","110.158","0.013","90","","596.99","0.12","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba F4 Fe I O3 -","- Ba F4 Fe I O3 -","- Ba4 F16 Fe4 I4 O12 -","4","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Huang, Yu; Mao, Jiang-Gao","Ba<sub>2</sub>[FeF<sub>4</sub>(IO<sub>3</sub>)<sub>2</sub>]IO<sub>3</sub>: a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution.","Chemical communications (Cambridge, England)","2021","57","87","11525","11528","10.1039/d1cc04462a","","x-ray","0.71073","MoKα","","0.0511","0.038","","","0.0727","0.0813","","","","","","1.035","","","","has coordinates","270394","2021-11-06","18:57:31",""
"7129136","13.7239","0.0008","11.4384","0.0008","7.4518","0.0006","90","","90","","90","","1169.78","0.14","99.98","0.15","99.98","0.15","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Ba2 F4 Fe I3 O9 -","- Ba2 F4 Fe I3 O9 -","- Ba8 F16 Fe4 I12 O36 -","4","1","","Huang, Qian-Ming; Hu, Chun-Li; Yang, Bing-Ping; Fang, Zhi; Huang, Yu; Mao, Jiang-Gao","Ba<sub>2</sub>[FeF<sub>4</sub>(IO<sub>3</sub>)<sub>2</sub>]IO<sub>3</sub>: a promising nonlinear optical material achieved by chemical-tailoring-induced structure evolution.","Chemical communications (Cambridge, England)","2021","57","87","11525","11528","10.1039/d1cc04462a","","x-ray","0.71073","MoKα","","0.0409","0.0345","","","0.0734","0.0776","","","","","","1.031","","","","has coordinates","270394","2021-11-06","18:57:31",""
"7129137","19.0236","0.0009","32.8188","0.0016","18.0034","0.0009","90","","94.183","0.002","90","","11210.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C114 H82 Cl6 N24 O8 -","- C114 H82 Cl6 N24 O8 -","- C456 H328 Cl24 N96 O32 -","4","0.5","","Wang, Zhen; Yang, Bin-Bin; Fang, Zi-Jun; Ou, Qiang; Ma, Hui; Zhang, Qing-Pu; Sun, Yu-Ling; Zhang, Chun","Emissive oxidase-like nanozyme based on an organic molecular cage.","Chemical communications (Cambridge, England)","2021","57","87","11541","11544","10.1039/d1cc04430c","","","1.34138","GaKα","","0.0935","0.0818","","","0.255","0.2705","","","","","","1.071","","","","has coordinates","270397","2021-11-06","18:59:21",""
"7129138","18.802","0.0002","33.0495","0.0003","17.858","0.0001","90","","93.173","0.001","90","","11079.9","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N O -","- C9.33333 H6.66667 N2 O0.666667 -","- C448 H320 N96 O32 -","48","6","","Wang, Zhen; Yang, Bin-Bin; Fang, Zi-Jun; Ou, Qiang; Ma, Hui; Zhang, Qing-Pu; Sun, Yu-Ling; Zhang, Chun","Emissive oxidase-like nanozyme based on an organic molecular cage.","Chemical communications (Cambridge, England)","2021","57","87","11541","11544","10.1039/d1cc04430c","","","1.54184","CuKα","","0.1711","0.1625","","","0.478","0.4934","","","","","","2.43","","","","has coordinates","270397","2021-11-06","18:59:22",""
"7129139","12.0436","0.0014","11.959","0.0014","20.842","0.002","90","","90","","90","","3001.9","0.6","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Al2 Br8 Sm -","- Al2 Br8 Sm -","- Al16 Br64 Sm8 -","8","1","","Schäfer, Thomas C.; Sorg, Jens; Sedykh, Alexander E.; Müller-Buschbaum, Klaus","Red emitting Sm(II) phosphors: Thermally switchable Luminescence in Sm(AlX4)2 (X = Cl, Br) by 5d-4f and intra-4f transitions","Chemical Communications","2021","","","","","10.1039/D1CC05357D","","","0.71073","MoKα","","0.0639","0.0352","","","0.0647","0.0727","","","","","","1.028","","","","has coordinates","270025","2021-10-19","22:01:51",""
"7129140","28.5959","0.0019","7.4128","0.0005","11.4628","0.0008","90","","90","","90","","2429.8","0.3","104.6","","104.6","","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N-Styrylphthalimide","","- C32 H22 N2 O4 -","- C32 H22 N2 O4 -","- C128 H88 N8 O16 -","4","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0348","0.032","","","0.0937","0.0969","","","","","","0.867","","","","has coordinates","270026","2021-10-19","22:03:01",""
"7129141","9.2065","0.0011","10.37","0.0013","12.059","0.0015","77.804","0.003","72.89","0.003","73.581","0.003","1045.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","(Z)-(5-(2-bromobenzylidene))-(E,E)-1,3-distyrylhydantoin","","- C26 H19 Br N2 O2 -","- C26 H19 Br N2 O2 -","- C52 H38 Br2 N4 O4 -","2","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0765","0.0531","","","0.1253","0.1383","","","","","","1.029","","","","has coordinates","270026","2021-10-19","22:03:02",""
"7129142","11.9019","0.0013","11.447","0.0013","7.4837","0.0008","90","","101.078","0.003","90","","1000.59","0.19","103.7","","103.7","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(1,1-cyclopentenyl)phthalimide","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0549","0.0461","","","0.1215","0.1272","","","","","","1.046","","","","has coordinates","270026","2021-10-19","22:03:02",""
"7129143","33.8915","0.001","33.8915","0.001","7.0535","0.0013","90","","90","","120","","7016.4","1.3","99.9","","99.9","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","(E,E)-1,3-distyryl-5-fluorouracil","","- C20 H15 F N2 O2 -","- C20 H15 F N2 O2 -","- C360 H270 F18 N36 O36 -","18","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0803","0.0537","","","0.0966","0.1076","","","","","","1.052","","","","has coordinates","270026","2021-10-19","22:03:02",""
"7129144","13.5471","0.001","7.5236","0.0005","18.4113","0.0014","90","","90","","90","","1876.5","0.2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","5,5-Dimethyl-3-(3-thiophenyl)-2,4-oxazolidinedione","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C72 H72 N8 O24 S8 -","8","1","","Berntsen, Linn Neerbye; Nordbø Solvi, Thomas; Sørnes, Kristian; Wragg, David S.; Sandtorv, Alexander Harald H.","Cu-catalyzed C(sp2)-N-bond coupling of boronic acids and cyclic imides","Chemical Communications","2021","","","","","10.1039/D1CC04356K","","x-ray","0.71073","MoKα","","0.0452","0.0326","","","0.0753","0.0804","","","","","","1.0526","","","","has coordinates,has disorder","270026","2021-10-19","22:03:02",""
"7129145","10.3416","0.0009","18.4062","0.0016","10.3029","0.0009","90","","112.267","0.003","90","","1814.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O2 S Se -","- C18 H16 Br N O2 S Se -","- C72 H64 Br4 N4 O8 S4 Se4 -","4","1","","He, Fu-Sheng; Yao, Yanfang; Tang, Zhimei; Qiu, Yanjie; Xie, Wenlin; Wu, Jie","Synthesis of β-cyanoalkylsulfonylated vinyl selenides through a four-component reaction","Chemical Communications","2021","","","","","10.1039/D1CC05690E","","","1.34138","GaKα","","0.0525","0.0474","","","0.1178","0.1231","","","","","","1.042","","","","has coordinates","270095","2021-10-28","21:59:03",""
"7129146","19.121","0.003","10.8997","0.0015","12.7763","0.0018","90","","102.095","0.002","90","","2603.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C136 H96 N16 O16 -","8","1","","Hu, Fang-Peng; Zhang, Xue-Guo; Wang, Meng; Wang, He-Song; Huang, Guo-Sheng","Synthesis of oxazolidinones through ring-opening and annulation of vinylene carbonate with 2-pyrrolyl/indolylanilines under Rh(iii) catalysis","Chemical Communications","2021","","","","","10.1039/D1CC05059A","","","0.71073","MoKα","","0.0695","0.0447","","","0.1149","0.1297","","","","","","0.998","","","","has coordinates","270096","2021-10-28","21:59:27",""
"7129147","12.33124","0.00016","31.7362","0.0004","13.62184","0.00016","90","","91.0137","0.0011","90","","5330.03","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H90 N6 O8 S2 -","- C49 H90 N6 O8 S2 -","- C196 H360 N24 O32 S8 -","4","1","","White, Lisa J.; Boles, Jessica E.; Clifford, Melanie; Patenall, Bethany L.; Hilton, Kira H. L. F.; Ng, Kendrick K. L.; Ellaby, Rebecca J.; Hind, Charlotte K.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","Di-anionic self-associating supramolecular amphiphiles (SSAs) as antimicrobial agents against MRSA and <i>Escherichia coli</i>.","Chemical communications (Cambridge, England)","2021","","","","","10.1039/d1cc05455d","","x-ray","1.54184","CuKα","","0.061","0.0542","","","0.1267","0.1306","","","","","","1.127","","","","has coordinates","270097","2021-10-28","22:00:13",""
"7129148","9.725","0.0003","35.2054","0.0013","16.1782","0.0006","90","","91.294","0.003","90","","5537.6","0.3","99.98","0.11","99.98","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H98.72 N6 O9.24 S2 -","- C48 H98.504 N6 O9.252 S2 -","- C192 H394.016 N24 O37.008 S8 -","4","1","","White, Lisa J.; Boles, Jessica E.; Clifford, Melanie; Patenall, Bethany L.; Hilton, Kira H. L. F.; Ng, Kendrick K. L.; Ellaby, Rebecca J.; Hind, Charlotte K.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","Di-anionic self-associating supramolecular amphiphiles (SSAs) as antimicrobial agents against MRSA and <i>Escherichia coli</i>.","Chemical communications (Cambridge, England)","2021","","","","","10.1039/d1cc05455d","","x-ray","1.54184","CuKα","","0.0875","0.0583","","","0.1424","0.1615","","","","","","1.018","","","","has coordinates,has disorder","270097","2021-10-28","22:00:13",""
"7129149","8.8543","0.0018","10.246","0.002","19.033","0.004","90","","91.12","0.03","90","","1726.4","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H36 Cl2 Mo O2 P2 S2 -","- C36 H36 Cl2 Mo O2 P2 S2 -","- C72 H72 Cl4 Mo2 O4 P4 S4 -","2","1","","Elvers, Benedict Josua; Krewald, Vera; Schulzke, Carola; Fischer, Christian","Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands","Chemical Communications","2021","","","","","10.1039/D1CC05335C","","","0.71073","MoKα","","0.119","0.0718","","","0.1603","0.1907","","","","","","1.031","","","","has coordinates","270098","2021-10-28","22:01:28",""
"7129150","11.986","0.002","7.7681","0.0016","16.643","0.003","90","","100.66","0.03","90","","1522.9","0.5","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 O S3 -","- C6 H6 O S3 -","- C48 H48 O8 S24 -","8","2","","Elvers, Benedict Josua; Krewald, Vera; Schulzke, Carola; Fischer, Christian","Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands","Chemical Communications","2021","","","","","10.1039/D1CC05335C","","","0.71073","MoKα","","0.1177","0.0523","","","0.1","0.1163","","","","","","0.991","","","","has coordinates","270098","2021-10-28","22:01:29",""
"7129151","8.8426","0.0018","10.239","0.002","19","0.004","90","","90.96","0.03","90","","1720","0.6","170","2","170","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl2 Mo O2 P2 S3 -","- C35 H33.998 Cl2 Mo O2 P2 S3 -","- C70 H67.996 Cl4 Mo2 O4 P4 S6 -","2","1","","Elvers, Benedict Josua; Krewald, Vera; Schulzke, Carola; Fischer, Christian","Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands","Chemical Communications","2021","","","","","10.1039/D1CC05335C","","","0.71073","MoKα","","0.0571","0.0492","","","0.1333","0.1411","","","","","","1.045","","","","has coordinates,has disorder","270098","2021-10-28","22:01:29",""
"7129152","14.235","0.003","11.186","0.002","20.632","0.004","90","","108.82","0.03","90","","3109.6","1.2","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Mo O2 P2 S3 -","- C33 H30 Mo O2 P2 S3 -","- C132 H120 Mo4 O8 P8 S12 -","4","1","","Elvers, Benedict Josua; Krewald, Vera; Schulzke, Carola; Fischer, Christian","Reduction induced S-nucleophilicity in mono-dithiolene molybdenum complexes - in situ generation of sulfonium ligands","Chemical Communications","2021","","","","","10.1039/D1CC05335C","","","0.71073","MoKα","","0.1134","0.056","","","0.1303","0.1709","","","","","","1.076","","","","has coordinates,has disorder","270098","2021-10-28","22:01:29",""
"7129153","7.612","0.0005","10.8082","0.001","12.555","0.0007","85.011","0.006","73.475","0.006","79.776","0.007","973.81","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Br N2 O2 -","- C21 H19 Br N2 O2 -","- C42 H38 Br2 N4 O4 -","2","1","","Zhu, Bin; Yao, Zhenyu; Huang, Lang; Cui, Xiuling","Easy synthesis of imidazo[1,5-a]indol-3-ones through Rh(iii)-catalyzed C–H allenylation/annulation","Chemical Communications","2021","","","","","10.1039/D1CC04359E","","x-ray","1.54184","CuKα","","0.0661","0.0453","","","0.1018","0.1155","","","","","","1.05","","","","has coordinates","270099","2021-10-28","22:02:14",""
"7129154","29.8105","0.0009","29.8105","0.0009","29.8105","0.0009","90","","90","","90","","26491.6","1.4","220.01","","220.01","","","","","","","","","8","I m -3 m","-I 4 2 3","229","","","","- C315 H311 Cd6 N49 O137 Si3 V6 W30 -","- C264 H192 Cd6 N32 O120 Si3 V6.0012 W29.9988 -","- C528 H384 Cd12 N64 O240 Si6 V12.0024 W59.9976 -","2","0.0208333","","Ming, Zheng; Zhang, Tiexin; Tian, Wenming; Li, Jianing; Liu, Zhenhui; Liu, Renhai; Liu, Zhongmin; Duan, Chunying","Dye-Polyoxometalate Coordination Polymer as Photodriven Electron Pump for Photocatalytic Radical Coupling Reactions","Chemical Communications","2021","","","","","10.1039/D1CC04209B","","","0.71073","MoKα","","0.1035","0.0776","","","0.2039","0.2385","","","","","","1.064","","","","has coordinates,has disorder","270100","2021-10-28","22:03:54",""
"7129155","12.7908","0.0005","13.0762","0.0007","27.4839","0.0015","90","","99.379","0.004","90","","4535.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Al I2 N -","- C48 H64 Al0.9996 I1.9992 N -","- C192 H256 Al3.9984 I7.9968 N4 -","4","1","","Hinz, Alexander; Müller, Maximilian P.","Attempted Reduction of a Carbazolyl-Diiodoalane","Chemical Communications","2021","","","","","10.1039/D1CC05557G","","x-ray","1.34143","GaKα","","0.0588","0.0458","","","0.1132","0.1176","","","","","","1.054","","","","has coordinates,has disorder","270101","2021-10-28","22:05:46",""
"7129156","13.5538","0.0007","14.0871","0.0007","14.9705","0.0009","89.785","0.004","87.83","0.005","63.479","0.004","2555.5","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H70 Al I2 N -","- C54 H70 Al I2 N -","- C108 H140 Al2 I4 N2 -","2","1","","Hinz, Alexander; Müller, Maximilian P.","Attempted Reduction of a Carbazolyl-Diiodoalane","Chemical Communications","2021","","","","","10.1039/D1CC05557G","","x-ray","0.71073","MoKα","","0.0547","0.0467","","","0.1242","0.1334","","","","","","1.026","","","","has coordinates,has disorder","270101","2021-10-28","22:05:48",""
"7129157","30.51","0.003","16.0909","0.0013","32.981","0.004","90","","97.157","0.009","90","","16065","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170 H218 Al2 I4 Mg2 N6 -","- C142 H186 Al2 I4 Mg2 N6 -","- C568 H744 Al8 I16 Mg8 N24 -","4","1","","Hinz, Alexander; Müller, Maximilian P.","Attempted Reduction of a Carbazolyl-Diiodoalane","Chemical Communications","2021","","","","","10.1039/D1CC05557G","","x-ray","1.34143","GaKα","","0.1146","0.0672","","","0.173","0.1897","","","","","","0.924","","","","has coordinates,has disorder","270101","2021-10-28","22:05:58",""
"7129158","12.0243","0.0009","12.3868","0.0015","14.3602","0.0013","94.863","0.009","95.352","0.007","94.833","0.008","2112.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 Al N -","- C47.9968 H63.9928 Al N -","- C95.9936 H127.986 Al2 N2 -","2","1","","Hinz, Alexander; Müller, Maximilian P.","Attempted Reduction of a Carbazolyl-Diiodoalane","Chemical Communications","2021","","","","","10.1039/D1CC05557G","","x-ray","1.34143","GaKα","","0.0756","0.0439","","","0.1111","0.1211","","","","","","0.972","","","","has coordinates,has disorder","270101","2021-10-28","22:05:58",""
"7129159","19.907","0.003","13.511","0.002","26.718","0.005","90","","104.497","0.008","90","","6957","2","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H12 Cl2 F5 Fe N4 -","- C25 H12 Cl2 F5 Fe N4 -","- C300 H144 Cl24 F60 Fe12 N48 -","12","1.5","","Vo, Nhat Tam; Herrero, Christian; Guillot, Régis; Inceoglu, Tanya; Leibl, Winfried; Clémancey, Martin; Dubourdeaux, Patrick; Blondin, Geneviève; Aukauloo, Ally; Sircoglou, Marie","Intercepting a Transient Non-Hemic Pyridine N-Oxide Fe(III) Species Involved in Oxygen Atom Transfer Reactions","Chemical Communications","2021","","","","","10.1039/D1CC04521K","","","1.54178","CuKα","","0.0354","0.033","","","0.0848","0.0864","","","","","","1.021","","","","has coordinates,has disorder","270102","2021-10-28","22:07:03",""
"7129160","22.4084","0.0016","22.4084","0.0016","25.911","0.0019","90","","90","","120","","11267.7","1.4","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C25 H12 Cl2 F5 Fe N4 -","- C25 H12 Cl2 F5 Fe N4 -","- C450 H216 Cl36 F90 Fe18 N72 -","18","0.5","","Vo, Nhat Tam; Herrero, Christian; Guillot, Régis; Inceoglu, Tanya; Leibl, Winfried; Clémancey, Martin; Dubourdeaux, Patrick; Blondin, Geneviève; Aukauloo, Ally; Sircoglou, Marie","Intercepting a Transient Non-Hemic Pyridine N-Oxide Fe(III) Species Involved in Oxygen Atom Transfer Reactions","Chemical Communications","2021","","","","","10.1039/D1CC04521K","","","0.71073","MoKα","","0.1627","0.0784","","","0.1578","0.1902","","","","","","1.023","","","","has coordinates","270102","2021-10-28","22:07:03",""
"7129161","14.2948","0.0006","10.5166","0.0003","12.7899","0.0005","90","","104.601","0.003","90","","1860.64","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 Cl8 Ge N Si3 -","- C4 H11 Cl8 Ge N Si3 -","- C16 H44 Cl32 Ge4 N4 Si12 -","4","1","","Kunkel, Chantal; Bolte, Michael; Lerner, Hans-Wolfram; Albert, Philipp; Wagner, Matthias","Subvalent mixed SixGey oligomers: (Cl3Si)4Ge and Cl2(Me2EtN)SiGe(SiCl3)2","Chemical Communications","2021","","","","","10.1039/D1CC05604B","","","0.71073","MoKα","","0.0303","0.0282","","","0.0658","0.0667","","","","","","1.221","","","","has coordinates","270166","2021-10-29","21:56:46",""
"7129162","18.134","0.002","18.134","0.002","13.1827","0.0013","90","","90","","120","","3754.2","0.7","173","2","173","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C5 H13 Cl2 N -","- C5 H13 Cl2 N -","- C90 H234 Cl36 N18 -","18","1","","Kunkel, Chantal; Bolte, Michael; Lerner, Hans-Wolfram; Albert, Philipp; Wagner, Matthias","Subvalent mixed SixGey oligomers: (Cl3Si)4Ge and Cl2(Me2EtN)SiGe(SiCl3)2","Chemical Communications","2021","","","","","10.1039/D1CC05604B","","","0.71073","MoKα","","0.0308","0.0284","","","0.0664","0.0671","","","","","","0.995","","","","has coordinates","270166","2021-10-29","21:56:47",""
"7129163","10.7853","0.0014","11.6435","0.0017","14.0828","0.0018","90","","91.747","0.011","90","","1767.7","0.4","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C17 H36 Al Cl12 N Si3 -","- C17 H36 Al1.005 Cl12 N Si3 -","- C34 H72 Al2.01 Cl24 N2 Si6 -","2","0.5","","Kunkel, Chantal; Bolte, Michael; Lerner, Hans-Wolfram; Albert, Philipp; Wagner, Matthias","Subvalent mixed SixGey oligomers: (Cl3Si)4Ge and Cl2(Me2EtN)SiGe(SiCl3)2","Chemical Communications","2021","","","","","10.1039/D1CC05604B","","","0.71073","MoKα","","0.1764","0.1015","","","0.2062","0.2401","","","","","","1.101","","","","has coordinates,has disorder","270166","2021-10-29","21:56:47",""
"7129164","9.801","0.0001","13.7345","0.0001","14.0133","0.0001","90","","90","","90","","1886.36","0.03","100","2","99.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 B N3 O -","- C20 H30 B N3 O -","- C80 H120 B4 N12 O4 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","","1.54178","CuKα","","0.0274","0.0271","","","0.0708","0.0711","","","","","","1.052","","","","has coordinates","270167","2021-10-29","21:58:46",""
"7129165","10.5533","0.0003","11.0017","0.0002","13.6961","0.0004","87.344","0.002","86.74","0.002","80.246","0.002","1563.56","0.07","100","2","100.2","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H43 B F3 N3 O4 S -","- C33 H43 B F3 N3 O4 S -","- C66 H86 B2 F6 N6 O8 S2 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","","1.54178","CuKα","","0.0889","0.0836","","","0.238","0.2439","","","","","","1.066","","","","has coordinates,has disorder","270167","2021-10-29","21:58:47",""
"7129166","12.6168","0.0003","8.1837","0.0002","24.223","0.0005","90","","104.245","0.002","90","","2424.17","0.1","100","0.2","100","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 B F3 N3 O4 S -","- C22 H33 B F3 N3 O4 S -","- C88 H132 B4 F12 N12 O16 S4 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","x-ray","1.54184","CuKα","","0.0675","0.0563","","","0.1554","0.1642","","","","","","1.058","","","","has coordinates","270167","2021-10-29","21:58:47",""
"7129167","14.7638","0.0002","8.108","0.0001","24.6279","0.0002","90","","104.614","0.001","90","","2852.7","0.06","99.97","0.16","99.97","0.16","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 B F3 N3 O4 S Si -","- C24 H39 B F3 N3 O4 S Si -","- C96 H156 B4 F12 N12 O16 S4 Si4 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","x-ray","1.54184","CuKα","","0.0543","0.042","","","0.1044","0.1113","","","","","","1.055","","","","has coordinates","270167","2021-10-29","21:58:47",""
"7129168","9.9123","0.0003","21.9456","0.0007","21.0718","0.0008","90","","91.476","0.003","90","","4582.3","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B N3 O -","- C26 H36 B N3 O -","- C208 H288 B8 N24 O8 -","8","2","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","x-ray","1.54184","CuKα","","0.1086","0.0727","","","0.1909","0.2144","","","","","","1.022","","","","has coordinates","270167","2021-10-29","21:58:48",""
"7129169","12.0414","0.0001","14.3822","0.0001","22.5042","0.0002","90","","97.152","0.001","90","","3866.99","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 B2 F15 N3 O4 -","- C38 H30 B2 F15 N3 O4 -","- C152 H120 B8 F60 N12 O16 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","x-ray","1.54184","CuKα","","0.0424","0.0361","","","0.0966","0.1006","","","","","","1.046","","","","has coordinates","270167","2021-10-29","21:58:48",""
"7129170","34.4809","0.0003","13.0981","0.0001","19.9706","0.0001","90","","100.676","0.001","90","","8863.29","0.12","100","2","99.95","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H39 Al B F15 N3 O -","- C47 H39 Al B F15 N3 O -","- C376 H312 Al8 B8 F120 N24 O8 -","8","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","","1.54178","CuKα","","0.0436","0.0398","","","0.0966","0.0989","","","","","","1.082","","","","has coordinates","270167","2021-10-29","21:58:48",""
"7129171","11.1366","0.0001","14.3079","0.0002","14.5576","0.0002","112.291","0.001","98.888","0.001","105.162","0.001","1986.21","0.05","99.9","0.2","99.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H72 B4 F30 N6 O2 -","- C88 H72 B4 F30 N6 O2 -","- C88 H72 B4 F30 N6 O2 -","1","0.5","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","x-ray","1.54184","CuKα","","0.0378","0.0336","","","0.0861","0.0887","","","","","","1.056","","","","has coordinates","270167","2021-10-29","21:58:48",""
"7129172","10.3066","0.0001","10.5767","0.0002","17.8236","0.0002","102.598","0.001","95.542","0.001","99.763","0.001","1850.6","0.05","99.97","0.17","99.97","0.17","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 B2 F15 N3 O4 -","- C38 H30 B2 F15 N3 O4 -","- C76 H60 B4 F30 N6 O8 -","2","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","x-ray","1.54184","CuKα","","0.0373","0.0338","","","0.0878","0.0902","","","","","","1.075","","","","has coordinates","270167","2021-10-29","21:58:48",""
"7129173","17.438","0.003","17.438","0.003","41.986","0.008","90","","90","","90","","12767","4","373.15","","373.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C97.67 H73 Cu4 N11 O45.67 S4 -","- C97.6666 H72.9998 Cu4 N11 O45.6666 S4 -","- C390.666 H291.999 Cu16 N44 O182.666 S16 -","4","0.5","","Walker, Samuel Edward; Boer, Stephanie A.; Malcomson, Thomas; Paterson, Martin J.; Tuck, Kellie; Turner, David Roger","Steric Control of Sorting Regimes in Self-Assembled Cages","Chemical Communications","2021","","","","","10.1039/D1CC05610G","","","0.710915","Synchrotron","","0.1322","0.0967","","","0.2479","0.2879","","","","","","0.959","","","","has coordinates,has disorder","270178","2021-10-30","21:56:10",""
"7129174","14.229","0.0004","24.201","0.0005","19.7403","0.0005","90","","94.244","0.003","90","","6779.1","0.3","123","0.13","123","0.13","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C106.25 H96.5 Cu4 N10.75 O44 S4 -","- C106.25 H84.75 Cu4 N10.75 O44 S4 -","- C212.5 H169.5 Cu8 N21.5 O88 S8 -","2","0.5","","Walker, Samuel Edward; Boer, Stephanie A.; Malcomson, Thomas; Paterson, Martin J.; Tuck, Kellie; Turner, David Roger","Steric Control of Sorting Regimes in Self-Assembled Cages","Chemical Communications","2021","","","","","10.1039/D1CC05610G","","x-ray","1.54184","CuKα","","0.1403","0.1138","","","0.3277","0.3567","","","","","","1.295","","","","has coordinates,has disorder","270178","2021-10-30","21:56:11",""
"7129175","32.2388","0.0004","19.0842","0.0002","28.254","0.0004","90","","118.549","0.002","90","","15269.7","0.4","123","0.1","123","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C125.67 H148.5 Cu4 N17.17 O54.67 S4 -","- C125.666 H141.499 Cu4 N17.1666 O54.6666 S4 -","- C502.666 H565.998 Cu16 N68.6664 O218.666 S16 -","4","0.5","","Walker, Samuel Edward; Boer, Stephanie A.; Malcomson, Thomas; Paterson, Martin J.; Tuck, Kellie; Turner, David Roger","Steric Control of Sorting Regimes in Self-Assembled Cages","Chemical Communications","2021","","","","","10.1039/D1CC05610G","","x-ray","1.54184","CuKα","","0.0732","0.0698","","","0.2041","0.2079","","","","","","1.023","","","","has coordinates,has disorder","270178","2021-10-30","21:56:12",""
"7129176","22.2995","0.0009","18.4153","0.0008","26.0924","0.001","90","","112.996","0.001","90","","9863.4","0.7","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H72 N6 P4 U -","- C48 H71.8225 N6 P4 U -","- C384 H574.58 N48 P32 U8 -","8","2","","Fang, Wei; Carpentier, Ambre; Sun, Xiong; Zhao, Yue; Maron, Laurent; Zhu, Congqing","Redox-induced reversible P-P coupling in a uranium complex","Chemical Communications","2021","","","","","10.1039/D1CC04765E","","","0.71073","MoKα","","0.1365","0.0687","","","0.108","0.1356","","","","","","1.047","","","","has coordinates,has disorder","270179","2021-10-30","21:57:22",""
"7129177","32.9263","0.001","26.2249","0.0009","25.9999","0.0014","90","","121.294","0.001","90","","19184.4","1.4","192.99","","192.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C148 H224 K5 N18 O P12 U3 -","- C148 H224 K5 N18 O P12 U3 -","- C592 H896 K20 N72 O4 P48 U12 -","4","0.5","","Fang, Wei; Carpentier, Ambre; Sun, Xiong; Zhao, Yue; Maron, Laurent; Zhu, Congqing","Redox-induced reversible P-P coupling in a uranium complex","Chemical Communications","2021","","","","","10.1039/D1CC04765E","","","1.34139","GaKα","","0.0452","0.0393","","","0.1138","0.1171","","","","","","1.065","","","","has coordinates,has disorder","270179","2021-10-30","21:57:23",""
"7129178","10.501","0.002","10.032","0.002","13.491","0.003","90","","106.55","0.03","90","","1362.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 B4 F16 N12 -","- C16 H24 B4 F16 N12 -","- C32 H48 B8 F32 N24 -","2","0.5","","Cho, Jihee; Shin, Jinwoo; Kang, Minjung; Verwilst, Peter; Lim, Changhyun; Yoo, Hanbin; Kim, Jeung Gon; Zhang, Xingcai; Hong, Chang Seop; Kim, Jong Seung; Kim, Sanghee","Calix[n]triazolium based Turn-On Fluorescent Sensing Ensemble for Selective Adenosine Monophosphate (AMP) Detection","Chemical Communications","2021","","","","","10.1039/D1CC04950J","","","0.7","synchrotron","","0.0751","0.0729","","","0.2099","0.2119","","","","","","1.11","","","","has coordinates","270185","2021-11-01","22:55:05",""
"7129179","8.2757","0.0006","12.3903","0.0009","13.7007","0.001","106.492","0.002","95.327","0.002","97.944","0.002","1321.16","0.17","273","","273.15","","","","","","","","","4","P -1","-P 1","2","","5AC","","- C31 H36 N2 O3 -","- C31 H36 N2 O3 -","- C62 H72 N4 O6 -","2","1","","Mandal, Rajib; Barsu, Nagaraju; Garai, Bholanath; Das, Abir; Perekalin, Dmitry; Sundararaju, Basker","Room-temperature C–H bond alkynylation by merging cobalt and photocatalysts","Chemical Communications","2021","","","","","10.1039/D1CC05263B","","","0.71073","MoKα","","0.0669","0.0483","","","0.1056","0.1179","","","","","","1.046","","","","has coordinates","270209","2021-11-02","22:55:56",""
"7129180","12.7652","0.0009","16.0114","0.0013","16.5435","0.0012","75.891","0.002","82.879","0.002","68.192","0.002","3042.5","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H67 N3 O13 S -","- C69 H67 N3 O13 S -","- C138 H134 N6 O26 S2 -","2","1","","Zhou, Yibin; Tang, Hao; Li, Zhao-Hui; Xu, Linxian; Wang, Lingyun; Cao, Derong","Bio-inspired AIE pillar[5]arene probe with multiple binding sites to discriminate alkanediamines","Chemical Communications","2021","","","","","10.1039/D1CC05153A","","","0.71073","MoKα","","0.1954","0.0932","","","0.1741","0.2271","","","","","","1.03","","","","has coordinates,has disorder","270210","2021-11-02","22:56:18",""
"7129181","14.2718","0.0007","6.581","0.0003","24.714","0.003","90","","90.107","0.007","90","","2321.2","0.3","140","0.1","140","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C42 H26 K2 N18 Na4 O13 -","- C42 H26 K2 N18 Na4 O13 -","- C84 H52 K4 N36 Na8 O26 -","2","0.5","","Landman, Iris R.; Fadaei-Tirani, Farzaneh; Severin, Kay","Nitrous oxide as a diazo transfer reagent: the synthesis of triazolopyridines.","Chemical communications (Cambridge, England)","2021","57","87","11537","11540","10.1039/d1cc04907k","","x-ray","1.54184","CuKα","","0.1061","0.0634","","","0.1545","0.1704","","","","","","1.042","","","","has coordinates","270211","2021-11-02","22:56:41",""
"7129182","8.5995","0.0005","11.0868","0.0007","18.5904","0.0014","96.689","0.006","101.847","0.006","99.853","0.005","1687.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cl2 F2 N2 O4 S2 -","- C36 H26 Cl2 F2 N2 O4 S2 -","- C72 H52 Cl4 F4 N4 O8 S4 -","2","1","","Dong, Jinhuan; Feng, Wanzhong; Wang, Lei; Li, Mei; Chen, Zhe; Xu, Xianxiu","Cu/Base Co-catalyzed [3 + 3] Cycloaddition for the Synthesis of Highly Functionalized 4-Fluoropyridines","Chemical Communications","2021","","","","","10.1039/D1CC05412K","","x-ray","1.54184","CuKα","","0.0677","0.0482","","","0.1257","0.1447","","","","","","1.034","","","","has coordinates","270213","2021-11-02","22:57:56",""
"7129183","6.0579","0.0002","15.5439","0.0005","9.8183","0.0003","90","","92.62","0.003","90","","923.56","0.05","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H16 F N O4 S -","- C20 H16 F N O4 S -","- C40 H32 F2 N2 O8 S2 -","2","1","","Dong, Jinhuan; Feng, Wanzhong; Wang, Lei; Li, Mei; Chen, Zhe; Xu, Xianxiu","Cu/Base Co-catalyzed [3 + 3] Cycloaddition for the Synthesis of Highly Functionalized 4-Fluoropyridines","Chemical Communications","2021","","","","","10.1039/D1CC05412K","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0918","0.0935","","","","","","1.065","","","","has coordinates","270213","2021-11-02","22:57:57",""
"7129184","7.3135","0.0007","7.6484","0.0006","12.3996","0.0011","103.627","0.007","97.874","0.008","98.131","0.007","656.75","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H11 Cl F N O2 -","- C14 H11 Cl F N O2 -","- C28 H22 Cl2 F2 N2 O4 -","2","1","","Dong, Jinhuan; Feng, Wanzhong; Wang, Lei; Li, Mei; Chen, Zhe; Xu, Xianxiu","Cu/Base Co-catalyzed [3 + 3] Cycloaddition for the Synthesis of Highly Functionalized 4-Fluoropyridines","Chemical Communications","2021","","","","","10.1039/D1CC05412K","","x-ray","1.54184","CuKα","","0.0603","0.0507","","","0.1399","0.1547","","","","","","1.052","","","","has coordinates","270213","2021-11-02","22:57:57",""
"7129185","7.1972","0.0002","13.8507","0.0002","11.1349","0.0002","90","","108.671","0.002","90","","1051.58","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H25 Cl N2 O3 S -","- C21 H25 Cl N2 O3 S -","- C42 H50 Cl2 N4 O6 S2 -","2","1","","Zhou, Su; Xie, Xiongda; Xu, Xinxin; Dong, Shanliang; Hu, Wenhao; Xu, Xinfang","An asymmetric oxidative cyclization/Mannich-type addition cascade reaction for direct access to chiral pyrrolidin-3-ones","Chemical Communications","2021","","","","","10.1039/D1CC04830A","","x-ray","1.54184","CuKα","","0.0349","0.0318","","","0.0772","0.0786","","","","","","1.068","","","","has coordinates","270214","2021-11-02","22:58:26",""
"7129186","31.5215","0.0005","60.4942","0.0004","117.8414","0.001","90","","90","","90","","224708","4","100","0.7","100","0.7","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C864 H666 Al30 O342 Zn60 -","- C864 H666 Al30 O342 Zn60 -","- C6912 H5328 Al240 O2736 Zn480 -","8","0.25","","Wang, San-Tai; Liu, Chen-Hui; Zheng, Chan; Li, De-Jing; Fang, Wei-Hui; Zhang, Jian","Heterometallic Al6Zn12 nano-plate with π-conjugated ligand: synthesis and nonlinear absorption properties","Chemical Communications","2021","","","","","10.1039/D1CC05919J","","x-ray","1.3405","GaKα","","0.0896","0.0671","","","0.1791","0.1941","","","","","","1.031","","","","has coordinates","270268","2021-11-03","22:57:23",""
"7129187","7.308","0.0004","7.5944","0.0004","9.7428","0.0005","86.332","0.002","77.996","0.002","74.258","0.002","509.05","0.05","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H22 N4 -","- C28 H22 N4 -","- C28 H22 N4 -","1","0.5","","Hsiao, Pu-Yen; Chu, Jean-Ho","Novel bipyrazolo[1,5-a]pyridine luminogens with aggregation-induced emission enhancement properties","Chemical Communications","2021","","","","","10.1039/D1CC05371J","","","0.71073","MoKα","","0.0555","0.0395","","","0.0943","0.1068","","","","","","1.063","","","","has coordinates","270269","2021-11-03","22:58:06",""
"7129188","8.0435","0.0005","5.735","0.0003","11.9792","0.0008","90","","99.757","0.002","90","","544.6","0.06","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","0.5","","Hsiao, Pu-Yen; Chu, Jean-Ho","Novel bipyrazolo[1,5-a]pyridine luminogens with aggregation-induced emission enhancement properties","Chemical Communications","2021","","","","","10.1039/D1CC05371J","","","0.71073","MoKα","","0.0398","0.0327","","","0.0815","0.0897","","","","","","1.078","","","","has coordinates","270269","2021-11-03","22:58:06",""
"7129189","10.943","0.0003","12.3084","0.0003","17.5419","0.0004","90","","94.232","0.002","90","","2356.29","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br Mn N2 O4 -","- C22 H14 Br Mn N2 O4 -","- C88 H56 Br4 Mn4 N8 O16 -","4","1","","Mandal, Swadhin K.; Chakraborty, Soumi; Das, Arpan","Redox-active Ligand Based Mn(I)-Catalyst for Hydrosilylative Ester Reduction","Chemical Communications","2021","","","","","10.1039/D1CC05614J","","x-ray","0.71073","MoKα","","0.0404","0.0338","","","0.0857","0.0894","","","","","","1.059","","","","has coordinates","270270","2021-11-03","22:58:42",""
"7129190","10.7249","0.0007","14.4773","0.0007","13.6836","0.0006","90","","102.311","0.005","90","","2075.8","0.2","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B F4 Mn N2 O4 -","- C22 H14 B F4 Mn N2 O4 -","- C88 H56 B4 F16 Mn4 N8 O16 -","4","1","","Mandal, Swadhin K.; Chakraborty, Soumi; Das, Arpan","Redox-active Ligand Based Mn(I)-Catalyst for Hydrosilylative Ester Reduction","Chemical Communications","2021","","","","","10.1039/D1CC05614J","","x-ray","1.54184","CuKα","","0.0469","0.0402","","","0.107","0.1124","","","","","","1.069","","","","has coordinates","270270","2021-11-03","22:58:42",""
"7129191","16.265","0.003","12.684","0.002","12.3063","0.0018","90","","100.784","0.006","90","","2494","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2.16 H1.68 N0.24 O0.96 -","- C2.16 H1.68 N0.24 O0.96 -","- C108 H84 N12 O48 -","50","12.5","","Qian, Yu-En; Zheng, Lan; Zhao, Qing-Lan; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","TBN-triggered, manipulable annulations of o-hydroxyarylenaminones for divergent syntheses of oximinochromanones and oximinocoumaranones","Chemical Communications","2021","","","","","10.1039/D1CC05389B","","","0.71073","MoKα","","0.0583","0.0456","","","0.1179","0.1292","","","","","","1.055","","","","has coordinates","270271","2021-11-03","22:59:10",""
"7129192","11.074","0.0007","11.115","0.0006","12.1059","0.0009","85.621","0.005","75.257","0.006","61.941","0.006","1270.01","0.16","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B Cl2 F2 N3 -","- C27 H30 B Cl2 F2 N3 -","- C54 H60 B2 Cl4 F4 N6 -","2","1","","Benniston, A. C.; Sirbu, Dumitru; Tkachenko, Nikolai V.; Zeng, Lingli; Waddell, Paul G.; Botchway, Stanley W.","Voltage-Induced Fluorescence Lifetime Imaging of a BODIPY Derivative in Giant Unilamellar Vesicles (GUVs) as Neuron Membrane Mimics","Chemical Communications","2021","","","","","10.1039/D1CC03756K","","x-ray","1.54184","CuKα","","0.0712","0.0497","","","0.1095","0.1251","","","","","","1.038","","","","has coordinates","270272","2021-11-03","22:59:32",""
"7129193","8.9929","0.0008","9.622","0.001","17.0576","0.0019","90","","90","","90","","1476","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Biswas, Subhamoy; Porashar, Bikoshita; Arandhara, Pallav Jyoti; Saikia, Anil K.","Synthesis of pyrimido[2,1-<i>a</i>]isoindolone and isoindolo[2,1-<i>a</i>]quinazolinone <i>via</i> intramolecular aza-Prins type reaction.","Chemical communications (Cambridge, England)","2021","57","88","11701","11704","10.1039/d1cc04554g","","","0.71073","MoKα","","0.0512","0.0426","","","0.1245","0.1334","","","","","","0.866","","","","has coordinates","270300","2021-11-04","14:10:01",""
"7129194","9.5567","0.0006","9.7212","0.0006","15.0352","0.0009","90","","93.695","0.002","90","","1393.91","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Biswas, Subhamoy; Porashar, Bikoshita; Arandhara, Pallav Jyoti; Saikia, Anil K.","Synthesis of pyrimido[2,1-<i>a</i>]isoindolone and isoindolo[2,1-<i>a</i>]quinazolinone <i>via</i> intramolecular aza-Prins type reaction.","Chemical communications (Cambridge, England)","2021","57","88","11701","11704","10.1039/d1cc04554g","","","0.71073","MoKα","","0.08","0.0499","","","0.1424","0.1768","","","","","","1.048","","","","has coordinates","270300","2021-11-04","14:10:02",""
"7129195","15.5642","0.0002","21.6386","0.0003","30.8946","0.0003","90","","90.903","0.001","90","","10403.6","0.2","130","","130","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","macro1","","- C103 H148 F6 N7 O25 P -","- C103 H148 F6 N7 O25 P -","- C412 H592 F24 N28 O100 P4 -","4","1","","Sobiech, Thomas A.; Zhong, Yulong; Sánchez B, Laura S; Kauffmann, Brice; McGrath, Jillian K.; Scalzo, Christina; Miller, Daniel P.; Huc, Ivan; Zurek, Eva; Ferrand, Yann; Gong, Bing","Stable pseudo[3]rotaxanes with strong positive binding cooperativity based on shape-persistent aromatic oligoamide macrocycles.","Chemical communications (Cambridge, England)","2021","57","88","11645","11648","10.1039/d1cc05193h","","","1.54178","CuKα","","0.1575","0.1334","","","0.4125","0.4392","","","","","","1.917","","","","has coordinates","270301","2021-11-04","14:13:26",""
"7129196","11.0219","0.0001","22.6904","0.0001","19.9096","0.0001","90","","105.642","0.001","90","","4794.81","0.06","85","2","85","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C53 H47 B Cl2 F4 Ir N3 O2 P2 -","- C53 H47 B Cl2 F4 Ir N3 O2 P2 -","- C212 H188 B4 Cl8 F16 Ir4 N12 O8 P8 -","4","1","","Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.","Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.","Chemical communications (Cambridge, England)","2021","57","88","11705","11708","10.1039/d1cc04778g","","","1.54184","CuKα","","0.0363","0.0362","","","0.097","0.097","","","","","","1.133","","","","has coordinates,has disorder","270302","2021-11-04","14:36:31",""
"7129197","15.63118","0.00007","23.44856","0.0001","14.12898","0.00008","90","","90","","90","","5178.68","0.04","85","2","85","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H62 B Ir N3 O4 P2 -","- C59 H62 B Ir N3 O4 P2 -","- C236 H248 B4 Ir4 N12 O16 P8 -","4","0.5","","Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.","Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.","Chemical communications (Cambridge, England)","2021","57","88","11705","11708","10.1039/d1cc04778g","","","1.54184","CuKα","","0.0357","0.0355","","","0.092","0.0921","","","","","","1.06","","","","has coordinates,has disorder","270302","2021-11-04","14:36:32",""
"7129198","15.0726","0.0004","19.6116","0.0006","20.9592","0.0006","74.069","0.003","71.86","0.002","80.182","0.002","5636.9","0.3","85","2","85","2","","","","","","","","9","P -1","-P 1","2","","","","- C122.5 H102 Cl2 F10 Ir2 N6 O4 P4 Zn2 -","- C122.5 H102 Cl2 F10 Ir2 N6 O4 P4 Zn2 -","- C245 H204 Cl4 F20 Ir4 N12 O8 P8 Zn4 -","2","1","","Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.","Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.","Chemical communications (Cambridge, England)","2021","57","88","11705","11708","10.1039/d1cc04778g","","","1.54184","CuKα","","0.0628","0.0559","","","0.1529","0.1629","","","","","","1.017","","","","has coordinates,has disorder","270302","2021-11-04","14:36:32",""
"7129199","15.951","0.0001","27.4111","0.0002","23.7638","0.0001","90","","103.551","0.001","90","","10101.1","0.11","85","2","85","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53.75 H48.5 Cl1.5 Ir N3 O2.5 P2 -","- C53.75 H48.5 Cl1.5 Ir N3 O2.5 P2 -","- C430 H388 Cl12 Ir8 N24 O20 P16 -","8","2","","Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.","Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.","Chemical communications (Cambridge, England)","2021","57","88","11705","11708","10.1039/d1cc04778g","","","1.54184","CuKα","","0.055","0.0485","","","0.1341","0.1406","","","","","","1.039","","","","has coordinates,has disorder","270302","2021-11-04","14:36:32",""
"7129200","29.0653","0.0006","5.67134","0.0001","19.4203","0.0004","90","","108.856","0.002","90","","3029.43","0.11","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 S -","- C18 H20 S -","- C144 H160 S8 -","8","1","","Ji, Kai; Lu, Ka; Huang, Jie; Li, Zi-Hao; Ding, Tong-Mei; Chen, Zhi-Min","Brønsted Acid-Catalyzed Solvent-Controlled Regioselective Hydrothiolation and Diastereoselective Cascade Cyclization of Dienes","Chemical Communications","2021","","","","","10.1039/D1CC05383C","","x-ray","1.54184","CuKα","","0.0451","0.0392","","","0.1119","0.1176","","","","","","1.071","","","","has coordinates","270305","2021-11-04","22:57:13",""
"7129201","13.92","0.003","14.71","0.003","22.5","0.005","101.49","0.03","106.91","0.03","96.71","0.03","4243.9","1.9","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H37 F60 N8 O4 -","- C79 H37 F60 N8 O4 -","- C158 H74 F120 N16 O8 -","2","1","","Taylor, Chloe M.; Ellingsen, Theo A.; Breadmore, Michael C.; Kilah, Nathan L.","Porphyrin-based colorimetric sensing of perfluorooctanoic acid as proof of concept for perfluoroalkyl substance detection.","Chemical communications (Cambridge, England)","2021","","","","","10.1039/d1cc04903h","","x-ray","0.71073","Synchrotron","","0.0743","0.0492","","","0.1293","0.146","","","","","","1.036","","","","has coordinates,has disorder","270306","2021-11-04","22:58:22",""
"7129202","14.834","0.003","8.096","0.0016","14.131","0.003","90","","90","","90","","1697.1","0.6","223","2","223","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H24 Ir N -","- C19 H24 Ir N -","- C76 H96 Ir4 N4 -","4","1","","Kim, Youyoung; Kim, Dongwook; Chang, Sukbok","Ir(iii)-Catalysed electrooxidative intramolecular dehydrogenative C–H/N–H coupling for the synthesis of N–H indoles","Chemical Communications","2021","","","","","10.1039/D1CC05882G","","","0.65","synchrotron","","0.0209","0.0193","","","0.0492","0.0497","","","","","","1.048","","","","has coordinates","270307","2021-11-04","22:58:56",""
"7129203","9.9622","0.0009","5.7301","0.0004","15.9848","0.0013","90","","106.083","0.003","90","","876.77","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Kim, Youyoung; Kim, Dongwook; Chang, Sukbok","Ir(iii)-Catalysed electrooxidative intramolecular dehydrogenative C–H/N–H coupling for the synthesis of N–H indoles","Chemical Communications","2021","","","","","10.1039/D1CC05882G","","","0.71073","MoKα","","0.1289","0.1139","","","0.2674","0.2778","","","","","","1.162","","","","has coordinates","270307","2021-11-04","22:58:56",""
"7129204","7.5288","0.0003","8.6068","0.0003","10.6262","0.0004","81.5606","0.0018","72.1189","0.0019","67.1244","0.0018","603.47","0.04","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C17 H16 -","- C17 H16 -","- C34 H32 -","2","1","","Baire, Beeraiah; Yadav, Bhavna","TfOH catalysed domino-double annulation of arenes with propargylic alcohols: A unified approach to indene polycyclic systems","Chemical Communications","2021","","","","","10.1039/D1CC05253E","","","0.71073","MoKα","","0.0646","0.0413","","","0.1029","0.1173","","","","","","1.038","","","","has coordinates","270308","2021-11-04","22:59:22",""
"7129205","8.028","0.0001","10.8723","0.0002","37.5335","0.0005","90","","94.368","0.001","90","","3266.51","0.08","223","0.1","223","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4'-(4,11-dipropylbenzo[5,6][1,4]dithiino[2,3-b]thianthrene-2,9-diyl)dipyridine","","- C34 H28 N2 S4 -","- C34 H28 N2 S4 -","- C136 H112 N8 S16 -","4","1","","Yuan, Jun; Lv, Wanqian; Li, Anquan; Zhu, Kelong","A Self-assembled M2L2 Truncated Square and its Application as a Container for Fullerenes","Chemical Communications","2021","","","","","10.1039/D1CC05581J","","x-ray","1.54184","CuKα","","0.058","0.0526","","","0.1681","0.1738","","","","","","0.967","","","","has coordinates","270520","2021-11-06","22:55:59",""
"7129206","38.3955","0.0006","17.1804","0.0003","35.9313","0.0007","90","","103.07","0.002","90","","23088.1","0.7","293","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C186 H108 F12 N4 O12 P4 Pt2 S12 -","- C186 H108 F12 N4 O12 P4 Pt2 S12 -","- C744 H432 F48 N16 O48 P16 Pt8 S48 -","4","0.5","","Yuan, Jun; Lv, Wanqian; Li, Anquan; Zhu, Kelong","A Self-assembled M2L2 Truncated Square and its Application as a Container for Fullerenes","Chemical Communications","2021","","","","","10.1039/D1CC05581J","","x-ray","1.54178","CuKα","","0.1627","0.1267","","","0.3068","0.3249","","","","","","1.125","","","","has coordinates,has disorder","270520","2021-11-06","22:55:59",""
"7129207","11.9342","0.0002","17.2712","0.0002","25.9639","0.0003","103.668","0.001","98.429","0.001","104.35","0.001","4916.75","0.12","293","2","173","2","","","","","","","","8","P -1","-P 1","2","","Pt2(dppp)2(1)2(OTf)4","","- C150 H156 F12 N4 O24 P4 Pt2 S12 -","- C150 H156 F12 N4 O24 P4 Pt2 S12 -","- C150 H156 F12 N4 O24 P4 Pt2 S12 -","1","0.5","","Yuan, Jun; Lv, Wanqian; Li, Anquan; Zhu, Kelong","A Self-assembled M2L2 Truncated Square and its Application as a Container for Fullerenes","Chemical Communications","2021","","","","","10.1039/D1CC05581J","","x-ray","1.54178","CuKα","","0.0789","0.0736","","","0.1898","0.1952","","","","","","1.087","","","","has coordinates,has disorder","270520","2021-11-06","22:56:00",""
"7129208","7.963","0.0001","6.0352","0.0001","16.021","0.0002","90","","93.637","0.001","90","","768.391","0.019","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 Br2 O2 -","- C16 H14 Br2 O2 -","- C32 H28 Br4 O4 -","2","1","","Song, Xianheng; Meng, Shanshui; Zhang, Hong; Jiang, Yi; Chan, Albert S. C.; Zou, Yong","Dibrominated Addition and Substitution of Alkenes Catalyzed by Mn2(CO)10","Chemical Communications","2021","","","","","10.1039/D1CC04534B","","x-ray","1.54184","CuKα","","0.0286","0.028","","","0.0673","0.0676","","","","","","1.113","","","","has coordinates","270527","2021-11-08","22:55:13",""
"7129209","5.5472","0.0002","7.8195","0.0004","18.3327","0.0007","90","","94.308","0.004","90","","792.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Br3 O2 -","- C16 H13 Br3 O2 -","- C32 H26 Br6 O4 -","2","1","","Song, Xianheng; Meng, Shanshui; Zhang, Hong; Jiang, Yi; Chan, Albert S. C.; Zou, Yong","Dibrominated Addition and Substitution of Alkenes Catalyzed by Mn2(CO)10","Chemical Communications","2021","","","","","10.1039/D1CC04534B","","x-ray","1.54184","CuKα","","0.0934","0.0697","","","0.1568","0.1783","","","","","","1.109","","","","has coordinates","270527","2021-11-08","22:55:15",""
"7129210","42.7113","0.0009","42.7113","0.0009","58.4319","0.0008","90","","90","","120","","92314","3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C107.75 H145.85 Mn23 N13.25 O68.05 -","- C107.75 H130 Mn23 N13.25 O68.05 -","- C1939.5 H2340 Mn414 N238.5 O1224.9 -","18","1","","Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","High nuclearity structurally – related Mn supertetrahedral T4 aggregates","Chemical Communications","2021","","","","","10.1039/D1CC01815A","","","0.71073","MoKα","","0.0973","0.072","","","0.2171","0.2433","","","","","","1.037","","","","has coordinates,has disorder","270528","2021-11-08","22:57:20",""
"7129211","31.9384","0.0009","31.9384","0.0009","31.9384","0.0009","90","","90","","90","","32579.1","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C99 H127 Mn23 N12 O61 -","- C99 H126 Mn23 N12 O61 -","- C792 H1008 Mn184 N96 O488 -","8","0.333333","","Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","High nuclearity structurally – related Mn supertetrahedral T4 aggregates","Chemical Communications","2021","","","","","10.1039/D1CC01815A","","","1.54184","CuKα","","0.2725","0.1131","","","0.267","0.3764","","","","","","0.879","","","","has coordinates","270528","2021-11-08","22:57:21",""
"7129212","18.4677","0.0008","19.8514","0.0008","25.7641","0.0007","67.98","0.003","85.789","0.003","87.81","0.004","8732.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H129.4 Mn24 N17.2 O64.4 -","- C114 H123.2 Mn24 N17.2 O64.4 -","- C228 H246.4 Mn48 N34.4 O128.8 -","2","1","","Skordi, Katerina; Anastassiades, Antonis; Fournet, Adeline D.; Kumar, Rahul; Schulze, Michael; Wernsdorfer, Wolfgang; Christou, George; Nastopoulos, Vassilios; Perlepes, Spyros P.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.","High nuclearity structurally – related Mn supertetrahedral T4 aggregates","Chemical Communications","2021","","","","","10.1039/D1CC01815A","","","1.54184","CuKα","","0.1217","0.0666","","","0.1724","0.2063","","","","","","0.952","","","","has coordinates,has disorder","270528","2021-11-08","22:57:21",""
"7129213","7.67","0.003","14.031","0.006","12.61","0.005","90","","90","","90","","1357.1","1","293","2","293","2","","","","","","","synthesis as described","7","P b 21 a","P -2a -2ab","29","","","","- C13 H10 Cl F2 N O2 S -","- C13 H10 Cl F2 N O2 S -","- C52 H40 Cl4 F8 N4 O8 S4 -","4","1","","Nobile, Enzo; Castanheiro, Thomas; Besset, Tatiana","C–H Electrophilic (phenylsulfonyl)difluoromethylation of (hetero)arenes with a newly designed reagent","Chemical Communications","2021","","","","","10.1039/D1CC04737J","","x-ray","0.71073","MoKα","","0.0584","0.0431","","","0.0882","0.0934","","","","","","0.86","","","","has coordinates","270529","2021-11-08","22:58:20",""
"7129214","11.1468","0.0006","17.3721","0.0009","22.8913","0.0012","90","","100.513","0.001","90","","4358.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 F5 O5 S3 -","- C20 H13 F5 O5 S3 -","- C160 H104 F40 O40 S24 -","8","2","","Nobile, Enzo; Castanheiro, Thomas; Besset, Tatiana","C–H Electrophilic (phenylsulfonyl)difluoromethylation of (hetero)arenes with a newly designed reagent","Chemical Communications","2021","","","","","10.1039/D1CC04737J","","x-ray","0.71073","MoKα","","0.0979","0.0659","","","0.1824","0.2076","","","","","","1.039","","","","has coordinates","270529","2021-11-08","22:58:21",""
"7129215","10.9067","0.0003","33.3651","0.001","14.218","0.0005","90","","96.661","0.001","90","","5139","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H38 Cd2 I4 N4 O11 -","- C48 H32 Cd2 I4 N4 O11 -","- C192 H128 Cd8 I16 N16 O44 -","4","1","","Li, Xin; Li, Yanger; Yang, Xiaoman; Yan, Chaoyue; Zhang, Kai; Liang, Xiaoxiao; Zhang, Jinli; Gai, Yanli; Xiong, Kecai","Cationic coordination polymers with thirteen-fold interpenetrating dia networks: selective coloration and ion-controlled photochromism","Chemical Communications","2021","","","","","10.1039/D1CC05255A","","","0.71073","MoKα","","0.0813","0.0742","","","0.2197","0.2269","","","","","","1.059","","","","has coordinates,has disorder","270542","2021-11-09","22:56:39",""
"7129216","8.649","0.004","11.578","0.005","13.602","0.007","89.58","0.05","77.17","0.03","77.71","0.04","1296.5","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H27 N O5 -","- C33 H27 N O5 -","- C66 H54 N2 O10 -","2","1","","Ghosh, Bidhan; Bera, Satabdi; Ghosh, Pintu; Samanta, Rajarshi","Rh(III)-Catalyzed Mild Straightforward Synthesis of Quinoline-Braced Cyclophane Macrocycles via Migratory Insertion","Chemical Communications","2021","","","","","10.1039/D1CC04418D","","","0.71073","MoKα","","0.2485","0.0993","","","0.2207","0.3292","","","","","","0.911","","","","has coordinates","270543","2021-11-09","22:57:05",""
"7129217","9.9491","0.0003","8.2942","0.0002","11.528","0.0004","90","","111.243","0.004","90","","886.65","0.05","293","2","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H19 Cl N2 O -","- C21 H19 Cl N2 O -","- C42 H38 Cl2 N4 O2 -","2","1","","Wang, Guanghui; Jia, Jian; Liu, Gang; Yu, Mingwu; Chu, Xiaoxiao; Liu, Xiguang; Zhao, Ximei","Copper(I)-catalyzed tandem synthesis of 2-acylquinolines from 2-ethynylanilines and glyoxals.","Chemical communications (Cambridge, England)","2021","57","89","11811","11814","10.1039/d1cc05612c","","x-ray","1.54184","CuKα","","0.0295","0.0286","","","0.0723","0.0727","","","","","","1.086","","","","has coordinates","270544","2021-11-09","22:57:27",""
"7129218","19.74","0.03","9.77","0.014","28.46","0.04","90","","110.263","0.017","90","","5149","13","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N4 -","- C29 H36 N4 -","- C232 H288 N32 -","8","2","","Liang, Taoyuan; Zhao, He; Gong, Lingzhen; Jiang, Huanfeng; Zhang, Min","Synthesis of Functionalized Benzimidazoles via Oxidative Tandem Quartic C–H Aminations and Cleavage of C–N and C–C bonds","Chemical Communications","2021","","","","","10.1039/D1CC05521F","","","0.71073","MoKα","","0.2023","0.0682","","","0.1277","0.1746","","","","","","0.972","","","","has coordinates","270579","2021-11-10","22:56:47",""
"7129219","13.9976","0.0006","32.7715","0.0015","5.6389","0.0002","90","","90","","90","","2586.69","0.19","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C136 H128 O16 -","8","2","","Wang, Yu-Jiang; Zhang, Yuan; Qiang, Zou; Liang, Jia-Ying; Chen, Zili","Gold catalyzed efficient preparation of dihydrobenzofuran from 1,3-enyne and phenol","Chemical Communications","2021","","","","","10.1039/D1CC05260H","","","1.54178","CuKα","","0.0589","0.0563","","","0.1392","0.1428","","","","","","1.078","","","","has coordinates","270580","2021-11-10","22:57:20",""
"7129220","7.3845","0.0004","10.3301","0.0006","10.8624","0.0006","75.103","0.001","86.49","0.001","88.625","0.001","799.23","0.08","153","","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl2 N6 O2 Pd -","- C11 H14 Cl2 N6 O2 Pd -","- C22 H28 Cl4 N12 O4 Pd2 -","2","1","","Zhang, Kan; Yao, Yanxiu; Sun, Winjin; Wen, Rui; Wang, Yanyan; Sun, Huaming; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction","Chemical Communications","2021","","","","","10.1039/D1CC05280B","","","1.54178","CuKα","","0.0242","0.0242","","","0.0627","0.0627","","","","","","1.115","","","","has coordinates","270598","2021-11-11","22:56:27",""
"7129221","8.6323","0.0004","10.345","0.0005","10.7361","0.0005","77.526","0.002","78.814","0.002","83.699","0.002","916.02","0.08","153","","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl3 N6 O2 Pd -","- C14 H15 Cl3 N6 O2 Pd -","- C28 H30 Cl6 N12 O4 Pd2 -","2","1","","Zhang, Kan; Yao, Yanxiu; Sun, Winjin; Wen, Rui; Wang, Yanyan; Sun, Huaming; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction","Chemical Communications","2021","","","","","10.1039/D1CC05280B","","","1.54178","CuKα","","0.0328","0.0322","","","0.084","0.0845","","","","","","1.09","","","","has coordinates","270598","2021-11-11","22:56:27",""
"7129222","8.6642","0.0006","10.2036","0.0008","10.5774","0.0008","80.779","0.002","73.728","0.002","84.359","0.002","884.64","0.11","153","","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl2 N6 O2 Pd -","- C14 H16 Cl2 N6 O2 Pd -","- C28 H32 Cl4 N12 O4 Pd2 -","2","1","","Zhang, Kan; Yao, Yanxiu; Sun, Winjin; Wen, Rui; Wang, Yanyan; Sun, Huaming; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction","Chemical Communications","2021","","","","","10.1039/D1CC05280B","","","1.54178","CuKα","","0.0577","0.0573","","","0.1518","0.1523","","","","","","1.083","","","","has coordinates","270598","2021-11-11","22:56:27",""
"7129223","8.7459","0.0005","12.3604","0.0006","12.4452","0.0007","75.518","0.002","70.882","0.002","89.938","0.002","1225.96","0.12","152.99","","152.99","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl2 N6 O Pd -","- C25 H22 Cl2 N6 O Pd -","- C50 H44 Cl4 N12 O2 Pd2 -","2","1","","Zhang, Kan; Yao, Yanxiu; Sun, Winjin; Wen, Rui; Wang, Yanyan; Sun, Huaming; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction","Chemical Communications","2021","","","","","10.1039/D1CC05280B","","","1.54178","CuKα","","0.0284","0.0281","","","0.0794","0.0797","","","","","","1.09","","","","has coordinates","270598","2021-11-11","22:56:28",""
"7129224","7.8588","0.001","23.213","0.003","10.2891","0.0013","90","","103.435","0.004","90","","1825.6","0.4","153","","153","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cl F6 N6 O2 P Pd -","- C11 H14 Cl F6 N6 O2 P Pd -","- C44 H56 Cl4 F24 N24 O8 P4 Pd4 -","4","1","","Zhang, Kan; Yao, Yanxiu; Sun, Winjin; Wen, Rui; Wang, Yanyan; Sun, Huaming; Zhang, Wei-Qiang; Zhang, Guofang; Gao, Ziwei","Triazine-wingtips accelerated NHC-Pd catalysed carbonylative Sonogashira cross-coupling reaction","Chemical Communications","2021","","","","","10.1039/D1CC05280B","","","0.71073","MoKα","","0.0399","0.0383","","","0.0928","0.0937","","","","","","1.118","","","","has coordinates","270598","2021-11-11","22:56:28",""
"7129225","14.2005","0.0002","14.0514","0.0002","33.8218","0.0004","90","","90","","90","","6748.7","0.16","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C69 H12 O -","- C69 H12 O -","- C552 H96 O8 -","8","1","","Wang, Guan-Wu; Liu, Zhan; Yin, Zheng-Chun; Lu, Wen-Qiang; Zhou, Dian-Bing","Unexpected Diels-Alder reaction of [60]fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates","Chemical Communications","2021","","","","","10.1039/D1CC05749A","","","1.54184","CuKα","","0.0916","0.086","","","0.1954","0.1991","","","","","","1.091","","","","has coordinates","270599","2021-11-11","22:57:30",""
"7129226","8.91306","0.00011","10.84345","0.00015","14.26741","0.00017","90","","90","","90","","1378.92","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Wang, Guan-Wu; Liu, Zhan; Yin, Zheng-Chun; Lu, Wen-Qiang; Zhou, Dian-Bing","Unexpected Diels-Alder reaction of [60]fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates","Chemical Communications","2021","","","","","10.1039/D1CC05749A","","x-ray","1.54184","CuKα","","0.0341","0.0338","","","0.0874","0.0878","","","","","","1.057","","","","has coordinates","270599","2021-11-11","22:57:31",""
"7129227","12.19847","0.00017","8.86563","0.00012","25.6419","0.0004","90","","90","","90","","2773.1","0.07","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Wang, Guan-Wu; Liu, Zhan; Yin, Zheng-Chun; Lu, Wen-Qiang; Zhou, Dian-Bing","Unexpected Diels-Alder reaction of [60]fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates","Chemical Communications","2021","","","","","10.1039/D1CC05749A","","x-ray","1.54184","CuKα","","0.0466","0.044","","","0.1209","0.1242","","","","","","1.032","","","","has coordinates","270599","2021-11-11","22:57:31",""
"7129228","8.7344","0.0004","8.9409","0.0004","10.7084","0.0003","80.648","0.003","88.789","0.003","84.471","0.004","821.29","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N O3 S -","- C17 H16 Cl N O3 S -","- C34 H32 Cl2 N2 O6 S2 -","2","1","","Harnedy, James; Hareram, Mishra Deepak; Tizzard, Graham J.; Coles, Simon J.; Morrill, Louis C.","Electrochemical oxidative Z-selective C(sp2)–H chlorination of acrylamides","Chemical Communications","2021","","","","","10.1039/D1CC05824J","","x-ray","0.71075","MoKα","K-L~3~","0.0687","0.0522","","","0.1333","0.1443","","","","","","1.036","","","","has coordinates","270600","2021-11-11","22:58:17",""
"7129229","14.994","0.0004","7.9399","0.0002","18.0476","0.0005","90","","110.222","0.001","90","","2016.14","0.09","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","2","","Hu, Linfeng; Cao, Weidi; Wang, Kaixuan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydrocarbazoles through Friedel-Crafts alkylation/annulation sequential reaction of indoles","Chemical Communications","2021","","","","","10.1039/D1CC05099K","","","1.54178","CuKα","","0.0618","0.0474","","","0.1004","0.1117","","","","","","1.047","","","","has coordinates","270625","2021-11-12","22:55:12",""
"7129230","7.6398","0.0002","9.7054","0.0003","15.9804","0.0005","94.283","0.002","100.646","0.001","108.956","0.001","1089.73","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 B N2 O2 -","- C27 H21 B N2 O2 -","- C54 H42 B2 N4 O4 -","2","1","","Kawaguchi, Kaede; Moro, Ayana; Kojima, Soya; Kubo, Yuji","Chiral recognition coupled with chemometrics using boronate ensembles containing D-π-A cyanostilbenes","Chemical Communications","2021","","","","","10.1039/D1CC05492A","","","1.54178","CuKα","","0.0455","0.0414","","","0.1075","0.111","","","","","","1.017","","","","has coordinates","270635","2021-11-13","22:55:20",""
"7129232","13.6053","0.0008","18.8739","0.001","20.0434","0.0012","85.037","0.003","79.518","0.003","85.22","0.003","5030","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H61 I2 N2 P Ru Sn -","- C50 H55 I2 N2 P Ru Sn -","- C200 H220 I8 N8 P4 Ru4 Sn4 -","4","2","","Jambor, Roman; Aman, Michal; Dostál, Libor; R°užička, Aleš; Tydlitat, Jiri; Beckmann, Jens; Turek, Jan","Sn,P-coordinated Ru cation: A robust catalyst for aerobic oxidations of benzylamine and benzyl alcohol","Chemical Communications","2021","","","","","10.1039/D1CC06173A","","","0.71073","MoKα","","0.1991","0.1065","","","0.1908","0.2249","","","","","","1.054","","","","has coordinates","270661","2021-11-15","22:56:50",""
"7129233","9.5879","0.0004","15.9384","0.0007","17.1123","0.0007","96.625","0.002","103.202","0.002","94.788","0.002","2512.56","0.19","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H65 Cl2 N2 O2 P Ru Sn -","- C56 H65 Cl2 N2 O2 P Ru Sn -","- C112 H130 Cl4 N4 O4 P2 Ru2 Sn2 -","2","1","","Jambor, Roman; Aman, Michal; Dostál, Libor; R°užička, Aleš; Tydlitat, Jiri; Beckmann, Jens; Turek, Jan","Sn,P-coordinated Ru cation: A robust catalyst for aerobic oxidations of benzylamine and benzyl alcohol","Chemical Communications","2021","","","","","10.1039/D1CC06173A","","","0.71073","MoKα","","0.0312","0.0242","","","0.0516","0.0541","","","","","","1.099","","","","has coordinates","270661","2021-11-15","22:56:50",""
"7129234","32.4751","0.0011","11.7571","0.0004","10.4836","0.0003","90","","90","","90","","4002.8","0.2","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C44 H50 Cl N2 P Ru Sn -","- C44 H50 Cl N2 P Ru Sn -","- C176 H200 Cl4 N8 P4 Ru4 Sn4 -","4","1","","Jambor, Roman; Aman, Michal; Dostál, Libor; R°užička, Aleš; Tydlitat, Jiri; Beckmann, Jens; Turek, Jan","Sn,P-coordinated Ru cation: A robust catalyst for aerobic oxidations of benzylamine and benzyl alcohol","Chemical Communications","2021","","","","","10.1039/D1CC06173A","","","0.71073","MoKα","","0.0692","0.0412","","","0.0546","0.0594","","","","","","1.028","","","","has coordinates","270661","2021-11-15","22:56:51",""
"7129235","9.063","0.0004","12.3037","0.0006","17.6508","0.0009","90","","91.172","0.004","90","","1967.8","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Fe2 Li2 N4 Pb2 Si4 -","- C32 H50 Fe2 Li2 N4 Pb2 Si4 -","- C64 H100 Fe4 Li4 N8 Pb4 Si8 -","2","0.5","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","0.71073","MoKα","","0.0311","0.0245","","","0.0584","0.0616","","","","","","1.035","","","","has coordinates","270662","2021-11-15","22:59:30",""
"7129236","12.726","0.002","12.903","0.003","13.744","0.002","107.385","0.014","90.842","0.013","106.663","0.015","2050.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H59 Cl Fe N2 O2 P Rh -","- C43 H59 Cl Fe N2 O2 P Rh -","- C86 H118 Cl2 Fe2 N4 O4 P2 Rh2 -","2","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.0728","0.0587","","","0.1533","0.1657","","","","","","1.029","","","","has coordinates","270662","2021-11-15","22:59:30",""
"7129237","10.0905","0.0005","18.0609","0.0009","18.3689","0.0009","96.23","0.004","98.922","0.004","94.876","0.004","3269.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 Cl Fe N2 Rh Si -","- C32 H50 Cl Fe N2 Rh Si -","- C128 H200 Cl4 Fe4 N8 Rh4 Si4 -","4","2","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","0.71073","MoKα","","0.0891","0.0543","","","0.1363","0.1573","","","","","","1.102","","","","has coordinates","270662","2021-11-15","22:59:30",""
"7129238","14.6357","0.0008","10.9872","0.0004","18.1148","0.001","90","","104.104","0.004","90","","2825.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Fe N2 P Si2 Sn -","- C28 H35 Fe N2 P Si2 Sn -","- C112 H140 Fe4 N8 P4 Si8 Sn4 -","4","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","0.71073","MoKα","","0.0398","0.0292","","","0.0699","0.0822","","","","","","1.113","","","","has coordinates","270662","2021-11-15","22:59:30",""
"7129239","10.3749","0.0009","11.2394","0.0014","15.5017","0.0012","106.545","0.008","93.996","0.007","108.683","0.008","1615.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 Fe N2 P Pb Si2 -","- C28 H35 Fe N2 P Pb Si2 -","- C56 H70 Fe2 N4 P2 Pb2 Si4 -","2","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","","1.54186","CuKα","","0.0226","0.0211","","","0.0542","0.0549","","","","","","1.053","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129240","11.3314","0.0005","13.1595","0.0006","14.7468","0.0007","109.107","0.004","100.846","0.004","98.487","0.004","1988.2","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Fe I N2 -","- C24 H19 Fe I N2 -","- C96 H76 Fe4 I4 N8 -","4","2","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","0.71073","MoKα","","0.0311","0.0267","","","0.0673","0.0686","","","","","","1.076","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129241","14.815","0.0005","11.115","0.0002","18.0884","0.0006","90","","104.095","0.003","90","","2888.92","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Fe Ge N2 P Si2 -","- C28 H35 Fe Ge N2 P Si2 -","- C112 H140 Fe4 Ge4 N8 P4 Si8 -","4","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.0331","0.0309","","","0.082","0.0838","","","","","","1.057","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129242","10.3039","0.0003","12.9444","0.0004","11.8996","0.0003","90","","108.155","0.002","90","","1508.13","0.08","100","2","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C25 H41 B Cl2 F4 Fe N2 Si -","- C25 H41 B Cl2 F4 Fe N2 Si -","- C50 H82 B2 Cl4 F8 Fe2 N4 Si2 -","2","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.0298","0.0287","","","0.0749","0.0757","","","","","","1.041","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129243","18.4207","0.001","31.6063","0.0012","7.556","0.0003","90","","90","","90","","4399.2","0.3","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C23 H25 Fe N2 O P -","- C23 H25 Fe N2 O P -","- C184 H200 Fe8 N16 O8 P8 -","8","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.062","0.0502","","","0.1291","0.1387","","","","","","1.06","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129244","12.5721","0.0008","16.4696","0.0014","20.0781","0.0016","107.662","0.006","94.249","0.006","96.501","0.006","3910","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H99 Fe3 Li9 N6 O3 Si6 -","- C60 H99 Fe3 Li9 N6 O3 Si6 -","- C120 H198 Fe6 Li18 N12 O6 Si12 -","2","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","1.54186","CuKα","","0.0769","0.0699","","","0.1799","0.186","","","","","","1.037","","","","has coordinates,has disorder","270662","2021-11-15","22:59:31",""
"7129245","22.2413","0.0008","9.0687","0.0003","19.5393","0.0007","90","","113.594","0.003","90","","3611.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 B F4 Fe N2 P -","- C39 H46 B F4 Fe N2 P -","- C156 H184 B4 F16 Fe4 N8 P4 -","4","1","","Guthardt, Robin; Blanckenberg, Johannes; Bruhn, Clemens; Siemeling, Ulrich","Planar-chiral 1,1’-diaminoferrocenes","Chemical Communications","2021","","","","","10.1039/D1CC05287J","","x-ray","0.71073","MoKα","","0.1679","0.0896","","","0.1793","0.2377","","","","","","1.18","","","","has coordinates","270662","2021-11-15","22:59:31",""
"7129246","14.5631","0.0004","10.4599","0.0003","26.8791","0.0009","90","","100.277","0.003","90","","4028.8","0.2","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 B Cl3 N6 O2 Si W -","- C38 H40 B Cl3 N6 O2 Si W -","- C152 H160 B4 Cl12 N24 O8 Si4 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Bimetallic ethynylanthracenyl functionalised carbynes","Chemical Communications","2021","","","","","10.1039/D1CC06142A","","x-ray","0.71073","MoKα","","0.0594","0.0403","","","0.0786","0.0881","","","","","","1.064","","","","has coordinates,has disorder","270663","2021-11-15","23:02:29",""
"7129247","20.7071","0.0009","16.1172","0.0004","21.1538","0.0009","90","","114.172","0.005","90","","6440.9","0.5","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H76.5 Au B Cl4.5 N6 O2 P W -","- C59.5 H76.502 Au B Cl4.506 N6 O2 P W -","- C238 H306.008 Au4 B4 Cl18.024 N24 O8 P4 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Bimetallic ethynylanthracenyl functionalised carbynes","Chemical Communications","2021","","","","","10.1039/D1CC06142A","","x-ray","0.71073","MoKα","","0.0861","0.0545","","","0.1046","0.1187","","","","","","1.052","","","","has coordinates,has disorder","270663","2021-11-15","23:02:30",""
"7129248","18.9069","0.0011","9.5403","0.0005","18.2277","0.0008","90","","111.209","0.006","90","","3065.2","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 B N6 O2 W -","- C34 H31 B N6 O2 W -","- C136 H124 B4 N24 O8 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Bimetallic ethynylanthracenyl functionalised carbynes","Chemical Communications","2021","","","","","10.1039/D1CC06142A","","x-ray","0.71073","MoKα","","0.0468","0.0317","","","0.0625","0.069","","","","","","1.039","","","","has coordinates,has disorder","270663","2021-11-15","23:02:30",""
"7129249","10.5318","0.0002","10.2942","0.0002","32.4695","0.0012","90","","95.664","0.003","90","","3503.04","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H62 B2 Cl6 N12 O4 W2 -","- C70 H62 B2 Cl6 N12 O4 W2 -","- C140 H124 B4 Cl12 N24 O8 W4 -","2","0.5","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Bimetallic ethynylanthracenyl functionalised carbynes","Chemical Communications","2021","","","","","10.1039/D1CC06142A","","x-ray","0.71073","MoKα","","0.0855","0.0656","","","0.1136","0.1199","","","","","","1.256","","","","has coordinates","270663","2021-11-15","23:02:30",""
"7129250","22.718","0.0016","9.4131","0.0004","18.4744","0.0016","90","","112.982","0.01","90","","3637.1","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H64 B2 N12 O4 W2 -","- C74 H64 B2 N12 O4 W2 -","- C148 H128 B4 N24 O8 W4 -","2","0.5","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Bimetallic ethynylanthracenyl functionalised carbynes","Chemical Communications","2021","","","","","10.1039/D1CC06142A","","x-ray","0.71073","MoKα","","0.0654","0.0454","","","0.0957","0.1037","","","","","","1.047","","","","has coordinates","270663","2021-11-15","23:02:30",""
"7129251","19.1661","0.0009","19.2822","0.001","28.4193","0.0013","93.851","0.002","98.46","0.002","117.901","0.002","9069.1","0.8","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C138 H207 Ag32 F18 S3 Sb3 -","- C138 H207 Ag31.9999 F18 S3 Sb3 -","- C276 H414 Ag63.9998 F36 S6 Sb6 -","2","1","","Wu, Wei-Hong; Zeng, Hui-Min; Yu, Ze-Nan; Wang, Chao; Jiang, Zhan-Guo; Zhan, Cai-Hong","Structural Transformation and Luminescence Response of Magic-Size Silver(I) Chalcogenide Clusters via Ligand-Exchange","Chemical Communications","2021","","","","","10.1039/D1CC06007D","","","0.71073","MoKα","","0.0916","0.0787","","","0.227","0.2407","","","","","","1.037","","","","has coordinates","270692","2021-11-16","22:58:06",""
"7129252","18.8242","0.0013","20.2627","0.0013","40.783","0.003","77.983","0.002","87.539","0.002","63.769","0.002","13626.7","1.7","160","2","160","","","","","","","","","8","P -1","-P 1","2","","","","- C265 H130 Ag45 Br33 Cl2 F6 S6 Sb -","- C265 H130 Ag45 Br33 Cl2 F6 S6 Sb -","- C530 H260 Ag90 Br66 Cl4 F12 S12 Sb2 -","2","1","","Wu, Wei-Hong; Zeng, Hui-Min; Yu, Ze-Nan; Wang, Chao; Jiang, Zhan-Guo; Zhan, Cai-Hong","Structural Transformation and Luminescence Response of Magic-Size Silver(I) Chalcogenide Clusters via Ligand-Exchange","Chemical Communications","2021","","","","","10.1039/D1CC06007D","","","0.71073","MoKα","","0.1457","0.0927","","","0.2332","0.2692","","","","","","1.014","","","","has coordinates,has disorder","270692","2021-11-16","22:58:06",""
"7129253","3.8219","0.0005","3.8219","0.0005","8.645","0.003","90","","90","","90","","126.28","0.05","296","2","296","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Cu Fe O S -","- Cu Fe O S -","- Cu2 Fe2 O2 S2 -","2","0.125","","Du, Wei; zhang, ganghua; Chen, Ping; Tang, Pingying; Wang, Jing; Li, Dezeng; Hou, Jingshan; Fang, Yongzheng","Visible-light photoelectric response in semiconducting quaternary oxysulfide FeOCuS with anti-PbO-type structure","Chemical Communications","2021","","","","","10.1039/D1CC05575E","","","0.71073","MoKα","","0.0587","0.0542","","","0.1296","0.1336","","","","","","1.066","","","","has coordinates","270693","2021-11-16","22:58:38",""
"7129254","18.7279","0.0004","18.7279","0.0004","11.8716","0.0006","90","","90","","90","","4163.8","0.2","296","2","296","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C20 H24 F6 N2 O8 Zn4 -","- C20 H24 F6 N2 O8 Zn4 -","- C80 H96 F24 N8 O32 Zn16 -","4","0.125","","Shi, Wen-Juan; Li, Yong-Zhi; Chen, Jing; Su, Run-Han; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua","A new metal–organic framework based on rare [Zn4F4] cores for efficient separation of C2H2","Chemical Communications","2021","","","","","10.1039/D1CC05196B","","","0.71073","MoKα","","0.0177","0.0161","","","0.0407","0.0416","","","","","","1.106","","","","has coordinates","270694","2021-11-16","22:59:01",""
"7129255","12.7015","0.001","12.7015","0.001","32.268","0.003","90","","90","","90","","5205.7","0.8","100","","100","","","","","","","","no","4","I 4/m","-I 4","87","","tetrakis(dipyridylformamidinato)triiron(II) bis(tetrafluoroborate) acetonitrile solvate'","","- C44 H36 Fe3 N16 -","- C44 H36 Fe3 N16 -","- C176 H144 Fe12 N64 -","4","0.25","","Srinivasan, Anandi; Musgrave, Rebecca A.; Rouzieres, Mathieu; Clerac, Rodolphe; McGrady, John E.; Hillard, Elizabeth A.","A Linear Metal-Metal Bonded Tri-Iron Single-Molecule Magnet","Chemical Communications","2021","","","","","10.1039/D1CC05043E","","x-ray","0.71073","MoKα","","0.0629","0.0417","","","0.1134","0.1317","","","","","","1.0663","","","","has coordinates","270695","2021-11-16","22:59:50",""
"7129256","12.8314","0.0005","12.8314","0.0005","32.4133","0.0014","90","","90","","90","","5336.7","0.4","270","2","270","2","","","","","","","no","4","I 4/m","-I 4","87","","tetrakis(dipyridylformamidinato)triiron(II) bis(tetrafluoroborate) acetonitrile solvate","","- C44 H36 Fe3 N16 -","- C44 H36 Fe3 N16 -","- C176 H144 Fe12 N64 -","4","0.25","","Srinivasan, Anandi; Musgrave, Rebecca A.; Rouzieres, Mathieu; Clerac, Rodolphe; McGrady, John E.; Hillard, Elizabeth A.","A Linear Metal-Metal Bonded Tri-Iron Single-Molecule Magnet","Chemical Communications","2021","","","","","10.1039/D1CC05043E","","x-ray","0.71073","MoKα","","0.0515","0.0352","","","0.1008","0.1199","","","","","","1.1263","","","","has coordinates","270695","2021-11-16","22:59:51",""
"7129257","11.40452","0.00013","26.0935","0.0003","19.63981","0.00019","90","","96.6965","0.001","90","","5804.62","0.11","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Fe P4 -","- C54 H50 Fe P4 -","- C216 H200 Fe4 P16 -","4","0.5","","Bhatia, Shilpa; DeMuth, Joshua C.; Neidig, Michael L.","Intermediates and mechanism in iron-catalyzed C–H methylation with trimethylaluminum","Chemical Communications","2021","","","","","10.1039/D1CC05607G","","x-ray","1.54184","CuKα","","0.0491","0.0464","","","0.1243","0.1262","","","","","","1.05","","","","has coordinates","270696","2021-11-16","23:00:15",""
"7129258","12.8968","0.0004","16.1529","0.0006","20.4741","0.0008","90","","98.968","0.001","90","","4213","0.3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H58 K N2 O10 -","- C42 H58 K N2 O10 -","- C168 H232 K4 N8 O40 -","4","0.5","","Cui, Haiyan; Wang, Liting; Ruan, Huapeng; Liu, Min; Feng, Zhongtao; Wang, Jie; Zhao, Yue; Wang, Xinping","Controlling the unpaired electron by electrostatic attraction in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC05244F","","","0.71073","MoKα","","0.0643","0.0528","","","0.1449","0.1571","","","","","","0.872","","","","has coordinates,has disorder","270697","2021-11-16","23:01:22",""
"7129259","11.7079","0.0006","11.8131","0.0006","12.0431","0.001","109.702","0.004","98.73","0.003","119.522","0.002","1257.61","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 K O6 -","- C28 H32 K O6 -","- C56 H64 K2 O12 -","2","1","","Cui, Haiyan; Wang, Liting; Ruan, Huapeng; Liu, Min; Feng, Zhongtao; Wang, Jie; Zhao, Yue; Wang, Xinping","Controlling the unpaired electron by electrostatic attraction in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC05244F","","","1.34139","GaKα","","0.1373","0.0967","","","0.2112","0.2297","","","","","","1.165","","","","has coordinates","270697","2021-11-16","23:01:22",""
"7129260","15.9555","0.0013","17.9505","0.0014","27.485","0.002","88.33","0.002","74.113","0.002","86.647","0.003","7557.6","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C144 H188 K4 O40 -","- C144 H188 K4 O40.0007 -","- C288 H376 K8 O80.0014 -","2","1","","Cui, Haiyan; Wang, Liting; Ruan, Huapeng; Liu, Min; Feng, Zhongtao; Wang, Jie; Zhao, Yue; Wang, Xinping","Controlling the unpaired electron by electrostatic attraction in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC05244F","","","0.71073","MoKα","","0.1421","0.0828","","","0.1973","0.2325","","","","","","0.943","","","","has coordinates,has disorder","270697","2021-11-16","23:01:23",""
"7129261","8.0229","0.0005","22.4041","0.0014","24.5984","0.0016","90","","90","","90","","4421.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 K O10 -","- C36 H46 K O10 -","- C144 H184 K4 O40 -","4","1","","Cui, Haiyan; Wang, Liting; Ruan, Huapeng; Liu, Min; Feng, Zhongtao; Wang, Jie; Zhao, Yue; Wang, Xinping","Controlling the unpaired electron by electrostatic attraction in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC05244F","","","0.71073","MoKα","","0.0664","0.0551","","","0.1542","0.1649","","","","","","1.025","","","","has coordinates,has disorder","270697","2021-11-16","23:01:23",""
"7129262","13.6924","0.0012","18.024","0.0017","26.204","0.002","90.341","0.002","104.62","0.002","98.347","0.002","6185.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 N4 O4 Rh2 -","- C46 H26 N4 O4 Rh2 -","- C276 H156 N24 O24 Rh12 -","6","3","","Xue, Songlin; Liu, Ningchao; Mei, Peifeng; Kuzuhara, Daiki; Zhou, Mingbo; Pan, Jianming; Yamada, Hiroko; Qiu, Fengxian","Porphyrin(2.1.2.1) as a novel binucleating ligand: synthesis and molecular structures of mono- and di-rhodium(i) complexes","Chemical Communications","2021","","","","","10.1039/D1CC05641G","","","0.71073","MoKα","","0.1087","0.0495","","","0.1034","0.1266","","","","","","0.917","","","","has coordinates","270698","2021-11-16","23:02:17",""
"7129263","22.138","0.0015","6.6176","0.0004","22.4596","0.0011","90","","90","","90","","3290.3","0.3","193","2","193","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H27 N4 O2 Rh -","- C44 H27 N4 O2 Rh -","- C176 H108 N16 O8 Rh4 -","4","1","","Xue, Songlin; Liu, Ningchao; Mei, Peifeng; Kuzuhara, Daiki; Zhou, Mingbo; Pan, Jianming; Yamada, Hiroko; Qiu, Fengxian","Porphyrin(2.1.2.1) as a novel binucleating ligand: synthesis and molecular structures of mono- and di-rhodium(i) complexes","Chemical Communications","2021","","","","","10.1039/D1CC05641G","","","1.34139","GaKα","","0.1693","0.0977","","","0.2401","0.285","","","","","","1.014","","","","has coordinates,has disorder","270698","2021-11-16","23:02:17",""
"7129264","8.8027","0.0001","20.21","0.0002","11.4809","0.0001","90","","103.074","0.001","90","","1989.54","0.04","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 F3 N O P -","- C23 H21 F3 N O P -","- C92 H84 F12 N4 O4 P4 -","4","1","","Yi, Ming-Jun; Xiao, Teng-Fei; Li, Wen-Hui; Zhang, Yi-Fan; Yan, Pen-Ji; Zhang, Baoxin; Xu, Peng-Fei; Xu, Guo-Qiang","Organic Photoredox Catalytic α-C(sp3)–H Phosphorylation of Saturated Aza-Heterocycles","Chemical Communications","2021","","","","","10.1039/D1CC05767G","","x-ray","1.54184","CuKα","","0.0408","0.0377","","","0.0985","0.1012","","","","","","1.048","","","","has coordinates,has disorder","270699","2021-11-16","23:02:53",""
"7129265","15.8548","0.0003","15.8548","0.0003","21.4208","0.0005","90","","90","","90","","5384.65","0.19","150","0.1","150","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C54 H44 Cd Cl2 N12 O8 -","- C54 H44 Cd Cl2 N12 O8 -","- C216 H176 Cd4 Cl8 N48 O32 -","4","0.5","","Jin, Guo-Xia; Wang, Teng; Yue, Tai-Xing; Wang, Xiaokang; Dai, Fangna; Wu, Xiang-Wen; Liu, Qi-Kui; Ma, Jian-ping","Cd-MOF: Specific adsorption selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules","Chemical Communications","2021","","","","","10.1039/D1CC05316G","","x-ray","1.54184","CuKα","","0.0446","0.0383","","","0.0967","0.1014","","","","","","1.004","","","","has coordinates","270735","2021-11-17","22:56:56",""
"7129266","15.8898","0.0003","15.8898","0.0003","21.431","0.0007","90","","90","","90","","5411","0.2","173.01","0.1","173.01","0.1","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C56 H48 Cd Cl2 N12 O8 -","- C56 H48 Cd Cl2 N12 O8 -","- C224 H192 Cd4 Cl8 N48 O32 -","4","0.5","","Jin, Guo-Xia; Wang, Teng; Yue, Tai-Xing; Wang, Xiaokang; Dai, Fangna; Wu, Xiang-Wen; Liu, Qi-Kui; Ma, Jian-ping","Cd-MOF: Specific adsorption selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules","Chemical Communications","2021","","","","","10.1039/D1CC05316G","","x-ray","1.54184","CuKα","","0.1175","0.1094","","","0.2754","0.2835","","","","","","1.081","","","","has coordinates","270735","2021-11-17","22:57:00",""
"7129267","15.7006","0.0002","16.1755","0.0002","21.6748","0.0003","90","","90","","90","","5504.64","0.12","159","14","159","14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H40.5 Cd Cl2 N12 O8 -","- C54 H40.5 Cd Cl2 N12 O8 -","- C216 H162 Cd4 Cl8 N48 O32 -","4","1","","Jin, Guo-Xia; Wang, Teng; Yue, Tai-Xing; Wang, Xiaokang; Dai, Fangna; Wu, Xiang-Wen; Liu, Qi-Kui; Ma, Jian-ping","Cd-MOF: Specific adsorption selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules","Chemical Communications","2021","","","","","10.1039/D1CC05316G","","x-ray","1.54184","CuKα","","0.0556","0.052","","","0.1517","0.1573","","","","","","1.067","","","","has coordinates,has disorder","270735","2021-11-17","22:57:00",""
"7129268","15.1473","0.0014","15.2189","0.0014","10.9542","0.001","90","","90.502","0.002","90","","2525.1","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- As30 Au16 Ba8 -","- As30 Au16 Ba8 -","- As60 Au32 Ba16 -","2","0.5","","Yox, Philip; Lebedev, Oleg I.; Donadio, Davide; Kovnir, Kirill","Unprecedented superstructure in the type I family of clathrates","Chemical Communications","2021","","","","","10.1039/D1CC05167A","","","0.71073","MoKα","","0.0496","0.032","","","0.0536","0.0576","","","","","","1.061","","","","has coordinates","270736","2021-11-17","22:57:38",""
"7129269","9.18","0.0005","27.5745","0.0018","9.1884","0.0006","90","","111.569","0.002","90","","2163","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H20 O6 Si -","- C24 H20 O6 Si -","- C96 H80 O24 Si4 -","4","2","","Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Bi-Qin; Wang, Peng","Concise Synthesis and Application of Enantiopure Spirobiphenoxasilin-Diol and Its Related Chiral Ligands","Chemical Communications","2021","","","","","10.1039/D1CC05576C","","","0.71073","MoKα","","0.0703","0.0502","","","0.1108","0.1259","","","","","","1.086","","","","has coordinates","270747","2021-11-18","22:55:58",""
"7129270","9.4128","0.0003","9.5763","0.0004","26.1896","0.001","92.004","0.001","96.554","0.001","115.774","0.001","2102.51","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H34 O4 P2 Si -","- C48 H34 O4 P2 Si -","- C96 H68 O8 P4 Si2 -","2","2","","Yang, Lei; Xu, Wen-Qiang; Liu, Tao; Wu, Yichen; Wang, Bi-Qin; Wang, Peng","Concise Synthesis and Application of Enantiopure Spirobiphenoxasilin-Diol and Its Related Chiral Ligands","Chemical Communications","2021","","","","","10.1039/D1CC05576C","","","0.71073","MoKα","","0.0959","0.0672","","","0.1752","0.1965","","","","","","1.031","","","","has coordinates","270747","2021-11-18","22:56:01",""
"7129271","9.397","0.0002","15.8981","0.0004","50.4387","0.0015","90","","92.499","0.002","90","","7528.1","0.3","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C66 H60 N12 O8 -","- C66 H60 N12 O8 -","- C264 H240 N48 O32 -","4","1","","Xiong, Shenglun; He, Qing","Photoresponsive Macrocycles for Selective Binding and Release of Sulfate","Chemical Communications","2021","","","","","10.1039/D1CC05506B","","","1.54178","CuKα","","0.0881","0.0728","","","0.2194","0.2302","","","","","","1.09","","","","has coordinates,has disorder","270761","2021-11-19","22:55:49",""
"7129272","11.0498","0.0017","19.163","0.003","29.251","0.004","99.65","0.01","90.341","0.008","90.27","0.007","6106","1.6","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C132 H129.36 N24 O21 -","- C132 H129.362 N24 O21 -","- C264 H258.724 N48 O42 -","2","1","","Xiong, Shenglun; He, Qing","Photoresponsive Macrocycles for Selective Binding and Release of Sulfate","Chemical Communications","2021","","","","","10.1039/D1CC05506B","","","1.54178","CuKα","","0.1091","0.0764","","","0.1956","0.217","","","","","","1.039","","","","has coordinates,has disorder","270761","2021-11-19","22:55:50",""
"7129273","16.3833","0.0006","20.8","0.0008","37.6802","0.0015","90","","95.615","0.002","90","","12778.8","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C93 H99 Cl27 N18 -","- C84 H81 Cl9.002 N18 -","- C336 H324 Cl36.008 N72 -","4","1","","Wang, Pinpin; Liu, Kai; Ma, Huanqing; Nian, Hao; Li, Yawen; Li, Qingfang; Cheng, Lin; Cao, Liping","Synthesis and Aqueous Anion Recognition of Imidazolium-Based Nonacationic Cup","Chemical Communications","2021","","","","","10.1039/D1CC05603D","","","1.34139","GaKα","","0.1274","0.1187","","","0.3759","0.3936","","","","","","1.686","","","","has coordinates,has disorder","270762","2021-11-19","22:56:56",""
"7129274","15.8416","0.0016","16.8382","0.0017","27.118","0.003","95.115","0.004","99.575","0.003","94.411","0.004","7073.3","1.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H131 Cl2 F54 N34 P9 -","- C89 H89 Cl2 F54 N20 P9 -","- C178 H178 Cl4 F108 N40 P18 -","2","1","","Wang, Pinpin; Liu, Kai; Ma, Huanqing; Nian, Hao; Li, Yawen; Li, Qingfang; Cheng, Lin; Cao, Liping","Synthesis and Aqueous Anion Recognition of Imidazolium-Based Nonacationic Cup","Chemical Communications","2021","","","","","10.1039/D1CC05603D","","","1.34138","GaKα","","0.086","0.0775","","","0.2128","0.2193","","","","","","1.031","","","","has coordinates,has disorder","270762","2021-11-19","22:56:57",""
"7129275","9.167","0.0002","9.3602","0.0001","10.2239","0.0002","90.583","0.002","103.616","0.002","90.83","0.001","852.43","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl O5 Re -","- C18 H14 Cl O5 Re -","- C36 H28 Cl2 O10 Re2 -","2","1","","Alberto, Roger; Lengacher, Raphael; Wang, Youchao; Braband, Henrik; Blacque, Olivier; Gasser, Gilles","Organometallic Small Molecule Kinase Inhibitors – Direct Incorporation of Re and 99mTc into Opaganib®","Chemical Communications","2021","","","","","10.1039/D1CC03678E","","x-ray","1.54184","CuKα","","0.0315","0.0312","","","0.0816","0.0818","","","","","","1.184","","","","has coordinates","270789","2021-11-20","22:56:05",""
"7129276","25.9451","0.0007","4.2425","0.0001","11.7127","0.0003","90","","90","","90","","1289.24","0.06","160","1","160","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Alberto, Roger; Lengacher, Raphael; Wang, Youchao; Braband, Henrik; Blacque, Olivier; Gasser, Gilles","Organometallic Small Molecule Kinase Inhibitors – Direct Incorporation of Re and 99mTc into Opaganib®","Chemical Communications","2021","","","","","10.1039/D1CC03678E","","x-ray","1.54184","CuKα","","0.0565","0.0545","","","0.1522","0.1533","","","","","","1.16","","","","has coordinates","270789","2021-11-20","22:56:06",""
"7129277","8.3943","0.0001","10.4745","0.0001","23.0911","0.0003","90","","95.395","0.001","90","","2021.32","0.04","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N2 O4 Re -","- C22 H16 Cl N2 O4 Re -","- C88 H64 Cl4 N8 O16 Re4 -","4","1","","Alberto, Roger; Lengacher, Raphael; Wang, Youchao; Braband, Henrik; Blacque, Olivier; Gasser, Gilles","Organometallic Small Molecule Kinase Inhibitors – Direct Incorporation of Re and 99mTc into Opaganib®","Chemical Communications","2021","","","","","10.1039/D1CC03678E","","x-ray","1.54184","CuKα","","0.0211","0.021","","","0.0534","0.0534","","","","","","1.223","","","","has coordinates","270789","2021-11-20","22:56:07",""
"7129278","30.929","0.003","21.777","0.002","32.273","0.004","90","","96.882","0.002","90","","21581","4","100","","100","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C112 H159 Br12 Fe30 N16 O47 -","- C105 H135 Br12 Fe30 N15 O47 -","- C420 H540 Br48 Fe120 N60 O188 -","4","2","","Dearle, Alice E.; Cutler, Daniel J.; Coletta, Marco; Lee, Edward; Dey, Sourav; Sanz, Sergio; Fraser, Hector W. L.; Nichol, Gary S.; Rajaraman, Gopalan; Schnack, Jürgen; Cronin, Leroy; Brechin, Euan K.","An [FeIII30] molecular metal oxide","Chemical Communications","2021","","","","","10.1039/D1CC06224G","","x-ray","0.6889","Synchrotron","","0.0794","0.0549","","","0.1405","0.153","","","","","","1.038","","","","has coordinates","270810","2021-11-22","22:56:40",""
"7129279","20.7362","0.0005","22.7181","0.0004","25.013","0.0004","95.425","0.002","97.928","0.002","113.427","0.002","10563","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C119 H169 Br12 Fe30 N17 O47 -","- C119 H169 Br12 Fe30 N17 O47 -","- C238 H338 Br24 Fe60 N34 O94 -","2","1","","Dearle, Alice E.; Cutler, Daniel J.; Coletta, Marco; Lee, Edward; Dey, Sourav; Sanz, Sergio; Fraser, Hector W. L.; Nichol, Gary S.; Rajaraman, Gopalan; Schnack, Jürgen; Cronin, Leroy; Brechin, Euan K.","An [FeIII30] molecular metal oxide","Chemical Communications","2021","","","","","10.1039/D1CC06224G","","x-ray","1.54178","CuKα","","0.089","0.0633","","","0.1618","0.1791","","","","","","0.984","","","","has coordinates,has disorder","270810","2021-11-22","22:56:41",""
"7129280","8.45794","0.00011","11.87783","0.00015","22.4725","0.0003","90","","90","","90","","2257.63","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O3 S -","- C24 H25 N3 O3 S -","- C96 H100 N12 O12 S4 -","4","1","","Xiong, Wei; Jiang, Xuan; Zhang, Mao-Mao; Xiao, Wen-Jing; Lu, Liang-Qiu","A cooperative Pd/Co catalysis for the asymmetric (4+2) cycloaddition of vinyl benzoxazinones with N-acylpyrazoles","Chemical Communications","2021","","","","","10.1039/D1CC05952A","","x-ray","1.54184","CuKα","","0.0366","0.0358","","","0.0949","0.0964","","","","","","1.064","","","","has coordinates","270811","2021-11-22","22:57:12",""
"7129281","27.7643","0.0013","12.964","0.0004","31.9939","0.0016","90","","109.695","0.004","90","","10842.1","0.9","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H49 Au4 Cl3 N2 O1.5 P2 S -","- C47 H49 Au4 Cl3 N2 O1.5 P2 S -","- C376 H392 Au32 Cl24 N16 O12 P16 S8 -","8","2","","Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Tetra- and hexanuclear string complexes of the coinage metals","Chemical Communications","2021","","","","","10.1039/D1CC06034A","","x-ray","0.71073","MoKα","","0.1191","0.0803","","","0.2077","0.2324","","","","","","0.989","","","","has coordinates","270812","2021-11-22","22:58:34",""
"7129282","12.1796","0.0005","12.4715","0.0005","15.0606","0.0006","85.096","0.003","71.854","0.003","80.296","0.003","2141.46","0.15","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C100 H96 Ag2 Au2 N4 O2 P4 -","- C100 H96 Ag2 Au2 N4 O2 P4 -","- C100 H96 Ag2 Au2 N4 O2 P4 -","1","0.5","","Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Tetra- and hexanuclear string complexes of the coinage metals","Chemical Communications","2021","","","","","10.1039/D1CC06034A","","x-ray","0.71073","MoKα","","0.0476","0.0323","","","0.0747","0.0792","","","","","","1.03","","","","has coordinates","270812","2021-11-22","22:58:35",""
"7129283","35.0732","0.0003","35.0732","0.0003","39.2104","0.0004","90","","90","","120","","41771.8","0.7","150","","150","","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C96.5 H90 Au2 Cu2 N4 O0.5 P4 -","- C96.5 H90 Au2 Cu2 N4 O0.5 P4 -","- C1737 H1620 Au36 Cu36 N72 O9 P72 -","18","0.5","","Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Tetra- and hexanuclear string complexes of the coinage metals","Chemical Communications","2021","","","","","10.1039/D1CC06034A","","x-ray","0.71073","MoKα","","0.0322","0.0269","","","0.0756","0.0809","","","","","","1.12","","","","has coordinates,has disorder","270812","2021-11-22","22:58:35",""
"7129284","17.0505","0.0007","22.6822","0.0007","13.196","0.0006","90","","99.353","0.003","90","","5035.6","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H68 Au6 F20 N4 O P4 -","- C102 H68 Au6 F20 N4 O P4 -","- C204 H136 Au12 F40 N8 O2 P8 -","2","0.5","","Dahlen, Milena; Seifert, Tim P.; Lebedkin, Sergei; Gamer, Michael T.; Kappes, Manfred M.; Roesky, Peter W.","Tetra- and hexanuclear string complexes of the coinage metals","Chemical Communications","2021","","","","","10.1039/D1CC06034A","","x-ray","0.71073","MoKα","","0.0767","0.0497","","","0.1209","0.1323","","","","","","0.98","","","","has coordinates,has disorder","270812","2021-11-22","22:58:35",""
"7129285","12.333","0.005","13.046","0.005","15.25","0.005","90","","106.607","0.008","90","","2351.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Br N O5 -","- C25 H24 Br N O5 -","- C100 H96 Br4 N4 O20 -","4","1","","Jadhav, Sandip B.; Maurya, Sundaram; Navaneetha, N.; Chegondi, Rambabu","Rh(III)-Catalyzed Diastereoselective Cascade Annulation of Enone-Tethered Cyclohexadienones via a C(sp2)−H Bond Activation","Chemical Communications","2021","","","","","10.1039/D1CC05941F","","","0.71073","MoKα","","0.0563","0.0354","","","0.087","0.0939","","","","","","1.039","","","","has coordinates,has disorder","270813","2021-11-22","22:59:19",""
"7129286","11.355","0.004","7.423","0.002","14.224","0.005","90","","107.513","0.007","90","","1143.3","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H24 Br N O5 -","- C25 H24 Br N O5 -","- C50 H48 Br2 N2 O10 -","2","1","","Jadhav, Sandip B.; Maurya, Sundaram; Navaneetha, N.; Chegondi, Rambabu","Rh(III)-Catalyzed Diastereoselective Cascade Annulation of Enone-Tethered Cyclohexadienones via a C(sp2)−H Bond Activation","Chemical Communications","2021","","","","","10.1039/D1CC05941F","","","0.71073","MoKα","","0.0608","0.0419","","","0.0967","0.1058","","","","","","1.032","","","","has coordinates,has disorder","270813","2021-11-22","22:59:20",""
"7129287","5.8692","0.0003","11.1234","0.0007","20.1269","0.0013","97.223","0.002","90.009","0.002","101.093","0.002","1278.81","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H38 O2 -","- C31 H38 O2 -","- C62 H76 O4 -","2","1","","Murugan, Muthukrishnan; Shirsath, Sachin; Chandgude, Sagar M.","Iron Catalyzed Tandem Ring Opening/1,6-Conjugate Addition of Cyclopropanols with p-Quinone Methides: New Access to γ, γ -Diaryl Ketones","Chemical Communications","2021","","","","","10.1039/D1CC05997A","","","0.71073","MoKα","","0.0505","0.0478","","","0.1242","0.1265","","","","","","1.056","","","","has coordinates","270838","2021-11-23","22:56:04",""
"7129288","18.495","0.002","6.5338","0.0008","28.922","0.003","90","","99.125","0.004","90","","3450.8","0.7","293","","293","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Si2 -","- C42 H36 Si2 -","- C168 H144 Si8 -","4","1","","Delouche, Thomas; Taifour, Ghizlene; Cordier, Marie; Roisnel, Thierry; Tondelier, Denis -; Manzhi, Payal; Geffroy, Bernard; Le Guennic, Boris; Jacquemin, Denis; Hissler, Muriel -; Bouit, Pierre-Antoine","Si-containing Polycyclic Aromatic Hydrocarbons: Synthesis and Opto-electronic Properties","Chemical Communications","2021","","","","","10.1039/D1CC06309J","","x-ray","0.71073","MoKα","","0.083","0.0652","","","0.1404","0.1488","","","","","","1.094","","","","has coordinates","270839","2021-11-23","22:57:05",""
"7129289","11.9542","0.0016","9.7509","0.0012","18.57","0.002","90","","106.22","0.004","90","","2078.4","0.4","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 O4 Si2 -","- C52 H50 O4 Si2 -","- C104 H100 O8 Si4 -","2","0.5","","Delouche, Thomas; Taifour, Ghizlene; Cordier, Marie; Roisnel, Thierry; Tondelier, Denis -; Manzhi, Payal; Geffroy, Bernard; Le Guennic, Boris; Jacquemin, Denis; Hissler, Muriel -; Bouit, Pierre-Antoine","Si-containing Polycyclic Aromatic Hydrocarbons: Synthesis and Opto-electronic Properties","Chemical Communications","2021","","","","","10.1039/D1CC06309J","","x-ray","0.71073","MoKα","","0.0677","0.0565","","","0.1485","0.1608","","","","","","1.048","","","","has coordinates","270839","2021-11-23","22:57:06",""
"7129290","14.192","0.002","8.8346","0.0014","17.444","0.002","90","","96.424","0.006","90","","2173.4","0.5","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 Cl4 Si2 -","- C50 H42 Cl4 Si2 -","- C100 H84 Cl8 Si4 -","2","0.5","","Delouche, Thomas; Taifour, Ghizlene; Cordier, Marie; Roisnel, Thierry; Tondelier, Denis -; Manzhi, Payal; Geffroy, Bernard; Le Guennic, Boris; Jacquemin, Denis; Hissler, Muriel -; Bouit, Pierre-Antoine","Si-containing Polycyclic Aromatic Hydrocarbons: Synthesis and Opto-electronic Properties","Chemical Communications","2021","","","","","10.1039/D1CC06309J","","x-ray","0.71073","MoKα","","0.094","0.0828","","","0.2151","0.2318","","","","","","1.052","","","","has coordinates","270839","2021-11-23","22:57:06",""
"7129291","12.72","0.0011","14.7321","0.0013","15.2928","0.0012","71.598","0.003","66.44","0.003","73.259","0.003","2449","0.4","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C62 H44 Si2 -","- C62 H44 Si2 -","- C124 H88 Si4 -","2","1","","Delouche, Thomas; Taifour, Ghizlene; Cordier, Marie; Roisnel, Thierry; Tondelier, Denis -; Manzhi, Payal; Geffroy, Bernard; Le Guennic, Boris; Jacquemin, Denis; Hissler, Muriel -; Bouit, Pierre-Antoine","Si-containing Polycyclic Aromatic Hydrocarbons: Synthesis and Opto-electronic Properties","Chemical Communications","2021","","","","","10.1039/D1CC06309J","","x-ray","0.71073","MoKα","","0.0592","0.0461","","","0.1212","0.1325","","","","","","1.024","","","","has coordinates","270839","2021-11-23","22:57:06",""
"7129292","12.489","0.0003","15.9524","0.0004","16.1392","0.0003","63.246","0.002","87.5183","0.0017","89.945","0.0019","2867.88","0.12","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H24 F24 O8 S2 Te3 -","- C44 H24 F24 O8 S2 Te3 -","- C88 H48 F48 O16 S4 Te6 -","2","1","","Takagi, Koji; Sakakibara, Nao; Kikkawa, Shoko; Tsuzuki, Seiji","Dicationic oligotelluroxane or mononuclear telluronium cation? Elucidation of true catalytic species and activation mechanism of benzylic carbon-halogen bond","Chemical Communications","2021","","","","","10.1039/D1CC06311A","","","0.71075","MoKα","","0.0749","0.0475","","","0.1134","0.1229","","","","","","1.046","","","","has coordinates,has disorder","270840","2021-11-23","22:57:45",""
"7129293","8.5341","0.0006","12.5136","0.0008","15.6372","0.0009","102.988","0.0015","96.6921","0.0017","91.0663","0.0018","1614.39","0.18","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Cl2 N6 O9 Zn -","- C34 H24 Cl2 N6 O9 Zn -","- C68 H48 Cl4 N12 O18 Zn2 -","2","1","","Ohtsu, Hideki; Takaoka, Mikio; Tezuka, Yosuke; Tsuge, Kiyoshi; Tanaka, Koji","An NAD±type earth-abundant metal complex enabling photo-driven alcohol oxidation","Chemical Communications","2021","","","","","10.1039/D1CC04665A","","","0.71075","MoKα","","0.135","0.0843","","","0.2032","0.2363","","","","","","1.003","","","","has coordinates","270859","2021-11-24","22:55:49",""
"7129294","14.5549","0.0008","11.5644","0.0007","17.9363","0.001","90","","90.772","0.006","90","","3018.7","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 N6 O8 Zn -","- C34 H24 Cl2 N6 O8 Zn -","- C136 H96 Cl8 N24 O32 Zn4 -","4","0.5","","Ohtsu, Hideki; Takaoka, Mikio; Tezuka, Yosuke; Tsuge, Kiyoshi; Tanaka, Koji","An NAD±type earth-abundant metal complex enabling photo-driven alcohol oxidation","Chemical Communications","2021","","","","","10.1039/D1CC04665A","","","0.71075","MoKα","","0.0831","0.0593","","","0.1472","0.1783","","","","","","1.105","","","","has coordinates","270859","2021-11-24","22:55:49",""
"7129295","18.4426","0.0007","19.7321","0.0007","20.3347","0.0009","91.639","0.003","93.853","0.003","114.363","0.004","6712.9","0.5","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C266 H366 Cl8 F12 N26 O36 P2 -","- C266 H366 Cl8 F12 N26 O36 P2 -","- C266 H366 Cl8 F12 N26 O36 P2 -","1","0.5","","Zhou, Yidan; Wu, Jinyang; Liu, Zejiang; Xu, Weitao; Liu, Menglong; Jia, Along; Liu, Yuchen; Xiao, Xin; Li, Xiaowei; Yuan, Lihua","Threading of three rings on two stations: a convergent approach to [4]rotaxane","Chemical Communications","2021","","","","","10.1039/D1CC05501A","","","1.54184","CuKα","","0.084","0.0661","","","0.1739","0.1928","","","","","","1.028","","","","has coordinates,has disorder","270860","2021-11-24","22:56:16",""
"7129296","17.8843","0.0011","10.2159","0.0005","15.6744","0.0009","90","","114.562","0.007","90","","2604.6","0.3","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 N2 P Zn -","- C25 H43 N2 P Zn -","- C100 H172 N8 P4 Zn4 -","4","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.0587","0.0397","","","0.0964","0.1073","","","","","","1.05","","","","has coordinates","270862","2021-11-24","22:57:58",""
"7129297","8.3843","0.0008","8.4994","0.0008","22.612","0.002","95.649","0.003","90.677","0.003","113.428","0.003","1469.1","0.2","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H43 N2 Ni O2 P Zn -","- C27 H43 N2 Ni O2 P Zn -","- C54 H86 N4 Ni2 O4 P2 Zn2 -","2","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.0797","0.0643","","","0.1894","0.2007","","","","","","1.021","","","","has coordinates","270862","2021-11-24","22:57:59",""
"7129298","18.6425","0.0015","15.4043","0.0013","16.9677","0.0014","90","","113.062","0.002","90","","4483.3","0.6","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 N2 Ni O P2 Zn -","- C50 H54 N2 Ni O P2 Zn -","- C200 H216 N8 Ni4 O4 P8 Zn4 -","4","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.1185","0.0487","","","0.0931","0.1116","","","","","","1.009","","","","has coordinates","270862","2021-11-24","22:57:59",""
"7129299","13.1045","0.0013","13.5153","0.0012","16.9765","0.0016","95.494","0.003","97.853","0.003","92.241","0.003","2960.7","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H80 N4 P2 Zn2 -","- C64 H80 N4 P2 Zn2 -","- C128 H160 N8 P4 Zn4 -","2","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.0753","0.0476","","","0.0934","0.1028","","","","","","1.032","","","","has coordinates,has disorder","270862","2021-11-24","22:57:59",""
"7129300","8.8752","0.0004","14.3633","0.0006","48.0556","0.0019","90","","90.024","0.001","90","","6126","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H80 N4 Ni O2 P2 Zn2 -","- C66 H80 N4 Ni O2 P2 Zn2 -","- C264 H320 N16 Ni4 O8 P8 Zn8 -","4","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.065","0.0366","","","0.0697","0.0869","","","","","","1.024","","","","has coordinates","270862","2021-11-24","22:58:02",""
"7129301","12.8656","0.0004","9.8087","0.0004","41.6176","0.0012","90","","90.488","0.001","90","","5251.7","0.3","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H84 N4 P2 Zn2 -","- C50 H84 N4 P2 Zn2 -","- C200 H336 N16 P8 Zn8 -","4","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.0867","0.0403","","","0.0791","0.1023","","","","","","1.077","","","","has coordinates","270862","2021-11-24","22:58:11",""
"7129302","12.5584","0.0005","13.8088","0.0005","21.0026","0.0009","103.774","0.001","93.392","0.001","114.987","0.001","3153.1","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H84 N4 P2 Zn2 -","- C69 H84 N4 P2 Zn2 -","- C138 H168 N8 P4 Zn4 -","2","1","","Jiang, Shengjie; Cai, Yanping; Carpentier, Ambre; del Rosal, Iker; Maron, Laurent; Xu, Xin","Nickel-catalyzed synthesis of Zn(i)–Zn(i) bonded compounds","Chemical Communications","2021","","","","","10.1039/D1CC05719G","","","0.71073","MoKα","","0.0711","0.048","","","0.1226","0.1448","","","","","","1.101","","","","has coordinates","270862","2021-11-24","22:58:15",""
"7129303","5.3663","0.0002","7.4309","0.0003","32.764","0.0014","90","","90","","90","","1306.51","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","","1.54184","CuKα","","0.0708","0.0534","","","0.1239","0.1347","","","","","","1.023","","","","has coordinates","270863","2021-11-24","23:02:38",""
"7129304","14.4688","0.0007","8.0297","0.0005","46.845","0.003","90","","90","","90","","5442.5","0.6","150","","150","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C32 H36 O6 -","- C32 H36 O6 -","- C256 H288 O48 -","8","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","x-ray","1.54184","CuKα","","0.1782","0.0917","","","0.2347","0.3225","","","","","","1","","","","has coordinates","270863","2021-11-24","23:02:48",""
"7129305","20.6534","0.0016","5.5621","0.0006","17.0891","0.0015","90","","92.131","0.007","90","","1961.8","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Br O4 -","- C24 H18 Br O4 -","- C96 H72 Br4 O16 -","4","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","x-ray","0.71073","MoKα","","0.1247","0.0663","","","0.1653","0.2376","","","","","","1.061","","","","has coordinates","270863","2021-11-24","23:02:50",""
"7129306","7.4157","0.0003","9.0593","0.0005","26.5028","0.0014","90","","90","","90","","1780.49","0.15","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2.5 -","- C10 H12 O2.5 -","- C80 H96 O20 -","8","2","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","x-ray","0.71073","MoKα","","0.0478","0.0414","","","0.0961","0.1007","","","","","","1.036","","","","has coordinates","270863","2021-11-24","23:02:51",""
"7129307","18.1042","0.0001","8.5594","0.0001","21.0097","0.0001","90","","90","","90","","3255.69","0.04","103.15","","103.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N4 O3 S -","- C16 H16 N4 O3 S -","- C128 H128 N32 O24 S8 -","8","1","","Yamashiro, Toshiki; Abe, Takumi; Tanioka, Masaru; Kamino, Shinichiro; Sawada, Daisuke","cis-3-Azido-2-methoxyindolines as safe and stable precursors to overcome the instability of fleeting 3-azidoindoles","Chemical Communications","2021","","","","","10.1039/D1CC06033C","","x-ray","1.54184","CuKα","","0.0294","0.0287","","","0.0775","0.078","","","","","","1.049","","","","has coordinates","270875","2021-11-25","22:56:35",""
"7129308","11.2578","0.0014","13.1467","0.0015","12.4351","0.0015","90","","106.814","0.012","90","","1761.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B Cl N -","- C18 H29 B Cl N -","- C72 H116 B4 Cl4 N4 -","4","1","","Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen","[Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes","Chemical Communications","2021","","","","","10.1039/D1CC06319G","","","0.71073","MoKα","","0.0821","0.0634","","","0.1751","0.1934","","","","","","1.017","","","","has coordinates","270876","2021-11-25","22:57:20",""
"7129309","8.7219","0.0003","13.0132","0.0004","17.0764","0.0006","90","","91.2092","0.0011","90","","1937.74","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H29 B Cl N Si2 -","- C15 H29 B Cl N Si2 -","- C60 H116 B4 Cl4 N4 Si8 -","4","1","","Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen","[Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes","Chemical Communications","2021","","","","","10.1039/D1CC06319G","","","0.71073","MoKα","","0.0456","0.0389","","","0.1105","0.1165","","","","","","1.035","","","","has coordinates","270876","2021-11-25","22:57:21",""
"7129310","14.8299","0.0005","17.7594","0.0006","23.7368","0.0008","90","","90","","90","","6251.6","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 Al2 B F55 N O6 Si2 -","- C39 H29 Al2 B F55 N O6 Si2 -","- C156 H116 Al8 B4 F220 N4 O24 Si8 -","4","1","","Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen","[Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes","Chemical Communications","2021","","","","","10.1039/D1CC06319G","","","0.71073","MoKα","","0.0961","0.0766","","","0.2002","0.2183","","","","","","1.046","","","","has coordinates","270876","2021-11-25","22:57:21",""
"7129311","8.891","0.002","11.712","0.003","11.924","0.003","90.53","0.008","91.989","0.008","94.978","0.008","1236.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H54 N2 O8 -","- C60 H54 N2 O8 -","- C60 H54 N2 O8 -","1","0.5","","Xiao, Jun-An; Peng, Hai; Liang, Jin-Shao; Meng, Ru-Fang; Su, Wei; Xiao, Qi; Yang, Hua","Gold/scandium bimetallic relay catalysis of formal [5+2]- and [4+2]-annulations: access to tetracyclic indole scaffolds","Chemical Communications","2021","","","","","10.1039/D1CC05658A","","","0.71076","MoKα","","0.0907","0.0549","","","0.1329","0.1512","","","","","","1.023","","","","has coordinates","270877","2021-11-25","22:57:53",""
"7129312","11.5856","0.0007","7.9134","0.0005","21.1647","0.0013","90","","96.028","0.002","90","","1929.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H92 N4 O16 -","- C96 H92 N4 O16 -","- C96 H92 N4 O16 -","1","0.25","","Xiao, Jun-An; Peng, Hai; Liang, Jin-Shao; Meng, Ru-Fang; Su, Wei; Xiao, Qi; Yang, Hua","Gold/scandium bimetallic relay catalysis of formal [5+2]- and [4+2]-annulations: access to tetracyclic indole scaffolds","Chemical Communications","2021","","","","","10.1039/D1CC05658A","","","0.71076","MoKα","","0.1541","0.0683","","","0.1359","0.1658","","","","","","1.026","","","","has coordinates","270877","2021-11-25","22:57:54",""
"7129313","6.7361","0.0017","21.906","0.006","26.843","0.007","90","","90","","90","","3961","1.8","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3-methyl-5-(trimethylsilyl)-2,3-dihydrobenzofuran-3-ol","","- C12 H18 O2 Si -","- C12 H18 O2 Si -","- C144 H216 O24 Si12 -","12","3","","Ohmura, Toshimichi; Kusaka, Satoshi; Suginome, Michinori","Iridium-Catalyzed Enantioselective Intramolecular Hydroarylation of Allylic Aryl Ethers Devoid of a Directing Group on the Aryl Group","Chemical Communications","2021","","","","","10.1039/D1CC05684K","","","0.71075","MoKα","","0.1287","0.0903","","","0.1317","0.1464","","","","","","1.141","","","","has coordinates","270878","2021-11-25","22:58:16",""
"7129314","20.1094","0.0018","22.559","0.002","10.5878","0.001","90","","108.37","0.002","90","","4558.4","0.7","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","(p-CF3pyridyl)2RuPc","Phthalocyaninato ruthenium bis(p-trifluoromethylpyridyl)","","- C44 H24 F6 N10 Ru -","- C44 H24 F6 N10 Ru -","- C176 H96 F24 N40 Ru4 -","4","1","","Ishikawa, Yuta; Kameyama, Tatsuya; Torimoto, Tsukasa; Maeda, Hajime; Segi, Masahito; Furuyama, Taniyuki","Red-light-activatable ruthenium phthalocyanine catalysts","Chemical Communications","2021","","","","","10.1039/D1CC06307C","","","1.54178","CuKα","","0.0435","0.0431","","","0.1125","0.1133","","","","","","1.042","","","","has coordinates","270879","2021-11-25","22:58:39",""
"7129315","5.447","0.0004","26.496","0.004","11.3845","0.0012","90","","102.428","0.007","90","","1604.6","0.3","293.15","","293.15","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C15 H12 F2 N4 O2 S -","- C15 H12 F2 N4 O2 S -","- C60 H48 F8 N16 O8 S4 -","4","1","","Shi, Hong-Song; Li, Shuo-Han; Zhang, Fa-Guang; Ma, Jun-An","Catalytic regioselective construction of phenylthio- and phenoxyldifluoroalkyl tetrazoles from difluorodiazoketones","Chemical Communications","2021","","","","","10.1039/D1CC05890H","","x-ray","0.71073","MoKα","","0.0969","0.0879","","","0.2488","0.2626","","","","","","1.059","","","","has coordinates","270880","2021-11-25","22:59:22",""
"7129316","15.529","0.001","10.7691","0.0007","9.7943","0.0006","90","","94.839","0.005","90","","1632.1","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br F2 N4 O S -","- C15 H11 Br F2 N4 O S -","- C60 H44 Br4 F8 N16 O4 S4 -","4","1","","Shi, Hong-Song; Li, Shuo-Han; Zhang, Fa-Guang; Ma, Jun-An","Catalytic regioselective construction of phenylthio- and phenoxyldifluoroalkyl tetrazoles from difluorodiazoketones","Chemical Communications","2021","","","","","10.1039/D1CC05890H","","","0.71073","MoKα","","0.083","0.0456","","","0.0923","0.1042","","","","","","1.013","","","","has coordinates","270880","2021-11-25","22:59:22",""
"7129317","10.1584","0.0016","4.7541","0.0007","34.462","0.005","90","","96.312","0.007","90","","1654.2","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br F3 N4 S -","- C15 H10 Br F3 N4 S -","- C60 H40 Br4 F12 N16 S4 -","4","1","","Shi, Hong-Song; Li, Shuo-Han; Zhang, Fa-Guang; Ma, Jun-An","Catalytic regioselective construction of phenylthio- and phenoxyldifluoroalkyl tetrazoles from difluorodiazoketones","Chemical Communications","2021","","","","","10.1039/D1CC05890H","","","0.71073","MoKα","","0.0762","0.0338","","","0.0677","0.0783","","","","","","1.003","","","","has coordinates","270880","2021-11-25","22:59:22",""
"7129318","11.778","0.009","13.919","0.012","16.801","0.015","96.26","0.04","108.02","0.04","105.66","0.04","2466","4","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H60 O2 -","- C66 H59.5 O2 -","- C132 H119 O4 -","2","1","","Parthasarathy, Venkatakrishnan; Kashyap, Nitisha; Chetti, Prabhakar","Coronene-Embedded ‘Super’ Coumarins","Chemical Communications","2021","","","","","10.1039/D1CC04976C","","","0.71073","MoKα","","0.1434","0.0793","","","0.2083","0.2752","","","","","","1.056","","","","has coordinates,has disorder","270913","2021-11-29","22:57:02",""
"7129319","12.9864","0.0002","12.9864","0.0002","28.774","0.0006","90","","90","","90","","4852.64","0.15","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C29 H18 F3 N O2 -","- C29 H18 F3 N O2 -","- C232 H144 F24 N8 O16 -","8","1","","Matišić, Mateja; Gredičak, Matija","Enantioselective construction of a tetrasubstituted stereocenter in isoindolinones via an organocatalyzed reaction between ketones and 3-hydroxyisoindolinones","Chemical Communications","2021","","","","","10.1039/D1CC05761H","","","1.54184","CuKα","","0.0679","0.0569","","","0.1629","0.1775","","","","","","1.059","","","","has coordinates","270914","2021-11-29","22:57:47",""
"7129320","8.8016","0.0005","9.8055","0.0004","17.4622","0.0009","90","","96.71","0.002","90","","1496.74","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 Au2 Cl2 N2 O4 P2 S2 -","- C24 H32 Au2 Cl2 N2 O4 P2 S2 -","- C48 H64 Au4 Cl4 N4 O8 P4 S4 -","2","0.5","","Yue, Erlin; Dettling, Lea; Sklorz, Julian; Kaiser, Selina; Weber, Manuela; Muller, Christian","Au(I)-Mediated N2-Elimination from Triazaphospholes: A One-Pot Synthesis of Novel N2P2-Heterocycles","Chemical Communications","2021","","","","","10.1039/D1CC06205K","","","0.71073","MoKα","","0.0434","0.0335","","","0.0557","0.0582","","","","","","1.187","","","","has coordinates","270915","2021-11-29","22:58:39",""
"7129321","9.6463","0.0002","17.8725","0.0004","10.9159","0.0002","90","","114.088","0.0007","90","","1718.06","0.06","102","2","102","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Au2 Cl2 N2 O4 P2 S2 -","- C28 H40 Au2 Cl2 N2 O4 P2 S2 -","- C56 H80 Au4 Cl4 N4 O8 P4 S4 -","2","0.5","","Yue, Erlin; Dettling, Lea; Sklorz, Julian; Kaiser, Selina; Weber, Manuela; Muller, Christian","Au(I)-Mediated N2-Elimination from Triazaphospholes: A One-Pot Synthesis of Novel N2P2-Heterocycles","Chemical Communications","2021","","","","","10.1039/D1CC06205K","","","0.71073","MoKα","","0.0296","0.0233","","","0.0451","0.0465","","","","","","1.133","","","","has coordinates","270915","2021-11-29","22:58:39",""
"7129322","10.6589","0.0003","17.72","0.0004","8.8396","0.0002","90","","102.665","0.0009","90","","1628.96","0.07","104","2","104","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N3 O2 P S -","- C14 H20 N3 O2 P S -","- C56 H80 N12 O8 P4 S4 -","4","1","","Yue, Erlin; Dettling, Lea; Sklorz, Julian; Kaiser, Selina; Weber, Manuela; Muller, Christian","Au(I)-Mediated N2-Elimination from Triazaphospholes: A One-Pot Synthesis of Novel N2P2-Heterocycles","Chemical Communications","2021","","","","","10.1039/D1CC06205K","","","0.71073","MoKα","","0.0575","0.037","","","0.0817","0.0896","","","","","","1.033","","","","has coordinates","270915","2021-11-29","22:58:39",""
"7129323","11.018","0.002","12.159","0.002","13.418","0.003","79.522","0.009","68.845","0.009","64.64","0.008","1514.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 F16 N2 Zn2 -","- C27 H16 F16 N2 Zn2 -","- C54 H32 F32 N4 Zn4 -","2","1","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.0477","0.0347","","","0.1003","0.1084","","","","","","1.048","","","","has coordinates","270916","2021-11-29","23:01:10",""
"7129324","16.1502","0.0015","12.9869","0.0011","24.457","0.002","90","","94.787","0.004","90","","5111.7","0.8","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C112 H158 N16 Zn3 -","- C98 H142 N16 Zn3 -","- C196 H284 N32 Zn6 -","2","0.5","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","1.54178","CuKα","","0.0623","0.0534","","","0.1361","0.1467","","","","","","1.04","","","","has coordinates,has disorder","270916","2021-11-29","23:01:10",""
"7129325","9.4818","0.0005","11.5578","0.0006","17.0565","0.0009","81.29","0.003","78.956","0.003","70.278","0.003","1719.33","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H56 Mg N2 -","- C39 H56 Mg N2 -","- C78 H112 Mg2 N4 -","2","1","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.0703","0.0489","","","0.129","0.1422","","","","","","1.033","","","","has coordinates","270916","2021-11-29","23:01:10",""
"7129326","11.0628","0.0006","13.3567","0.0007","12.7357","0.0007","90","","92.424","0.002","90","","1880.17","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H56 N2 Zn2 -","- C39 H56 N2 Zn2 -","- C78 H112 N4 Zn4 -","2","1","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.0207","0.0191","","","0.0504","0.051","","","","","","1.039","","","","has coordinates,has disorder","270916","2021-11-29","23:01:10",""
"7129327","16.1999","0.0012","26.086","0.0019","27.4","0.002","67.694","0.003","89.99","0.004","82.864","0.004","10615.6","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C109.75 H149 N15 Zn3 -","- C109.75 H149 N15 Zn3 -","- C439 H596 N60 Zn12 -","4","2","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","1.54178","CuKα","","0.1076","0.0789","","","0.1705","0.1901","","","","","","1.047","","","","has coordinates,has disorder","270916","2021-11-29","23:01:10",""
"7129328","10.8458","0.0011","17.2914","0.0017","11.5079","0.0011","90","","103.356","0.002","90","","2099.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C45 H61 N5 Zn -","- C45 H62 N5 Zn -","- C90 H124 N10 Zn2 -","2","0.5","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.058","0.0383","","","0.0907","0.0996","","","","","","1.047","","","","has coordinates","270916","2021-11-29","23:01:13",""
"7129329","12.6879","0.0003","14.0466","0.0004","18.039","0.0004","102.399","0.001","106.9","0.001","108.91","0.0011","2735.36","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H75 N5 O2 Zn2 -","- C58 H75 N5 O2 Zn2 -","- C116 H150 N10 O4 Zn4 -","2","1","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","1.54178","CuKα","","0.0308","0.026","","","0.0665","0.0699","","","","","","1.038","","","","has coordinates,has disorder","270916","2021-11-29","23:01:30",""
"7129330","19.4204","0.0017","10.707","0.0009","22.939","0.002","90","","93.2035","0.0019","90","","4762.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H74 N4 O3 Zn2 -","- C49 H74 N4 O3 Zn2 -","- C196 H296 N16 O12 Zn8 -","4","1","","Li, Bin; Huse, Kevin; Wölper, Christoph; Schulz, Stephan","Synthesis and reactivity of heteroleptic zinc(i) complexes toward heteroallenes","Chemical Communications","2021","","","","","10.1039/D1CC05617D","","","0.71073","MoKα","","0.0434","0.0312","","","0.0768","0.083","","","","","","1.03","","","","has coordinates","270916","2021-11-29","23:01:30",""
"7129331","22.1929","0.0004","12.0792","0.0003","7.0699","0.0002","90","","90","","90","","1895.25","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C100 H88 N8 O4 -","4","1","","Xia, Dong; Duan, Xin-Fang","Tandem vinyl radical Minisci-type annulation on pyridines: one-pot expeditious access to azaindenones","Chemical Communications","2021","","","","","10.1039/D1CC06204B","","","1.54184","CuKα","","0.0377","0.0363","","","0.0935","0.0949","","","","","","1.051","","","","has coordinates","270945","2021-11-30","22:56:06",""
"7129332","9.5619","0.0001","11.8973","0.0002","17.133","0.0003","70.917","0.001","82.793","0.001","79.876","0.001","1808.43","0.05","103.15","","103.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","2","","Sato, Yuta; Matsuzaki, Tsuyoshi; Takehara, Tsunayoshi; Sako, Makoto; Suzuki, Takeyuki; Arisawa, Mitsuhiro","Doubleisomerization / cycloisomerization / aromatization of 1-(allyloxy)-2-(cyclopropylmethyl)benzenes to give 2-ethyl-3-isopropylbenzofurans using multitasking single rhodium catalyst","Chemical Communications","2021","","","","","10.1039/D1CC06163A","","x-ray","1.54184","CuKα","","0.0389","0.0371","","","0.0979","0.0991","","","","","","1.068","","","","has coordinates,has disorder","270962","2021-12-01","22:59:55",""
"7129333","10.207","0.0006","16.4841","0.001","7.1404","0.0004","90","","95.493","0.002","90","","1195.88","0.12","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C28 H22 N2 O4 S -","- C28 H22 N2 O4 S -","- C56 H44 N4 O8 S2 -","2","1","","Kesavan, Arunachalam; Anbarasan, Pazhamalai","Catalytic Enantioselective Oxysulfenylation of o-Vinylanilides","Chemical Communications","2021","","","","","10.1039/D1CC05835E","","","0.71073","MoKα","","0.0455","0.0401","","","0.0986","0.1023","","","","","","1.084","","","","has coordinates","270963","2021-12-01","23:00:18",""
"7129334","38.4205","0.0009","10.5927","0.0002","21.1877","0.0005","90","","111.387","0.001","90","","8029.1","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H47 B20 Cl P2 Ru -","- C30.5 H47 B20 Cl P2 Ru -","- C244 H376 B160 Cl8 P16 Ru8 -","8","1","","Jeans, Rebekah; Rosair, Georgina; Welch, Alan Jeffrey","C,Cʹ-Ru to C,Bʹ-Ru Isomerisation in Bis(phosphine)Ru Complexes of [1,1ʹ-Bis(ortho-carborane)]","Chemical Communications","2021","","","","","10.1039/D1CC06119D","","","1.54178","CuKα","","0.0214","0.0213","","","0.0529","0.0531","","","","","","1.05","","","","has coordinates,has disorder","270964","2021-12-01","23:00:58",""
"7129335","38.0931","0.0009","10.6717","0.0003","21.3413","0.0005","90","","111.858","0.001","90","","8051.9","0.4","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H47 B20 Cl P2 Ru -","- C30.5 H47 B20 Cl0.997 P2 Ru -","- C244 H376 B160 Cl7.976 P16 Ru8 -","8","1","","Jeans, Rebekah; Rosair, Georgina; Welch, Alan Jeffrey","C,Cʹ-Ru to C,Bʹ-Ru Isomerisation in Bis(phosphine)Ru Complexes of [1,1ʹ-Bis(ortho-carborane)]","Chemical Communications","2021","","","","","10.1039/D1CC06119D","","","1.54178","CuKα","","0.0208","0.0208","","","0.0512","0.0512","","","","","","1.065","","","","has coordinates,has disorder","270964","2021-12-01","23:00:59",""
"7129336","10.7012","0.0011","10.5762","0.001","36.545","0.004","90","","94.488","0.004","90","","4123.4","0.7","120","2","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 Cl7 O P2 Re -","- C41 H38 Cl7 O P2 Re -","- C164 H152 Cl28 O4 P8 Re4 -","4","1","","Sun, Yue; Zhou, Yan; Bai, Wei; Yang, Li; Wang, Yilun","Metalla-phenalene complexes: synthesis, structure and aromaticity","Chemical Communications","2021","","","","","10.1039/D1CC05855J","","","0.71073","MoKα","","0.0658","0.0359","","","0.064","0.0699","","","","","","1.041","","","","has coordinates","270965","2021-12-01","23:01:28",""
"7129337","23.915","0.005","25.14","0.004","13.047","0.003","90","","90","","90","","7844","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C79 H24 Ag B22 Cl18 N -","- C79 H24 Ag B22 Cl18 N -","- C316 H96 Ag4 B88 Cl72 N4 -","4","0.5","","Chambers, Luke I.; Yufit, Dimitrii S.; Fox, Mark A.; Musa, Osama; Steed, Jonathan W.","Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide","Chemical Communications","2021","","","","","10.1039/D1CC06047C","","","0.71073","MoKα","","0.0973","0.0693","","","0.1851","0.2146","","","","","","1.029","","","","has coordinates,has disorder","270966","2021-12-01","23:02:12",""
"7129338","6.9359","0.0003","14.9061","0.0007","6.9555","0.0003","90","","105.747","0.0017","90","","692.12","0.05","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H24 N2 O5 -","- C12 H24 N2 O5 -","- C24 H48 N4 O10 -","2","1","","Chambers, Luke I.; Yufit, Dimitrii S.; Fox, Mark A.; Musa, Osama; Steed, Jonathan W.","Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide","Chemical Communications","2021","","","","","10.1039/D1CC06047C","","x-ray","0.71073","MoKα","","0.049","0.0448","","","0.1103","0.1135","","","","","","1.026","","","","has coordinates","270966","2021-12-01","23:02:13",""
"7129339","6.87","0.0002","15.0114","0.0004","7.1364","0.0002","90","","105.883","0.001","90","","707.87","0.03","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H24 N2 O6 -","- C12 H24 N2 O6 -","- C24 H48 N4 O12 -","2","1","","Chambers, Luke I.; Yufit, Dimitrii S.; Fox, Mark A.; Musa, Osama; Steed, Jonathan W.","Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide","Chemical Communications","2021","","","","","10.1039/D1CC06047C","","x-ray","0.71073","MoKα","","0.0373","0.0352","","","0.0845","0.0858","","","","","","1.056","","","","has coordinates","270966","2021-12-01","23:02:13",""
"7129340","27.5128","0.0005","27.5128","0.0005","3.52247","0.00009","90","","90","","90","","2666.35","0.1","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","1-H2O","","","- C20 H22 K N8 O19.5 -","- C20 H22 K N8 O19.5 -","- C80 H88 K4 N32 O78 -","4","0.25","","Zhou, Mu-Yang; Wang, Hao-Yu; Wang, Zhi-Shuo; Zhang, Xue-Wen; Feng, Xi; Gao, Le-Yao; Lian, Zhi-Cheng; Lin, Rui-Biao; Zhou, Dong-Dong","Single-crystal superprotonic conductivity in an interpenetrated hydrogen-bonded quadruplex framework","Chemical Communications","2021","","","","","10.1039/D1CC06004J","","","1.54178","CuKα","","0.0755","0.0656","","","0.1703","0.1977","","","","","","1.027","","","","has coordinates,has disorder","270987","2021-12-02","22:57:39",""
"7129341","9.9017","0.0005","16.1484","0.0009","17.2408","0.0009","90","","90","","90","","2756.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl6 N6 Sb -","- C17 H31 Cl6 N6 Sb -","- C68 H124 Cl24 N24 Sb4 -","4","1","","Peng, Ying-Chen; Zhang, Zhi-Zhuan; Lin, Yang-Peng; Jin, Jian-Ce; Zhuang, Ting-Hui; Gong, Liao-Kuo; Wang, Ze-Ping; Du, Ke-Zhao; Huang, Xiao-Ying","A deep-red-emission antimony(iii) chloride with dual-cations: extremely large Stokes shift due to high [SbCl6] distortion","Chemical Communications","2021","","","","","10.1039/D1CC05648D","","","0.71073","MoKα","","0.0409","0.0362","","","0.0823","0.0865","","","","","","1.007","","","","has coordinates","271060","2021-12-03","22:55:05",""
"7129342","10.281","0.004","13.526","0.005","9.721","0.003","90","","107.048","0.005","90","","1292.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C56 H56 Cl4 N4 O12 -","4","1","","Liu, Tao; Yue, Yongkang; Zhai, Yunze; Guo, Zilong; Zhao, Wenjing; Yang, Xufeng; Chen, Dongdong; Yin, Caixia","Host–guest type multiple site fluorescent probe for GSH detection in living organisms","Chemical Communications","2021","","","","","10.1039/D1CC05494E","","","0.71073","MoKα","","0.141","0.0914","","","0.2277","0.2566","","","","","","1.03","","","","has coordinates","271061","2021-12-03","22:55:49",""
"7129343","9.6535","0.0003","14.5524","0.0004","14.1991","0.0005","90","","90.901","0.001","90","","1994.47","0.11","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O6 -","- C22 H22 Cl N O6 -","- C88 H88 Cl4 N4 O24 -","4","1","","Liu, Tao; Yue, Yongkang; Zhai, Yunze; Guo, Zilong; Zhao, Wenjing; Yang, Xufeng; Chen, Dongdong; Yin, Caixia","Host–guest type multiple site fluorescent probe for GSH detection in living organisms","Chemical Communications","2021","","","","","10.1039/D1CC05494E","","","0.71073","MoKα","","0.0508","0.0345","","","0.0923","0.111","","","","","","1.081","","","","has coordinates","271061","2021-12-03","22:55:49",""
"7129344","11.5427","0.0002","16.8415","0.0003","14.7424","0.0003","90","","91.898","0.001","90","","2864.3","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C128 H128 Cl8 N8 O24 -","8","2","","Liu, Tao; Yue, Yongkang; Zhai, Yunze; Guo, Zilong; Zhao, Wenjing; Yang, Xufeng; Chen, Dongdong; Yin, Caixia","Host–guest type multiple site fluorescent probe for GSH detection in living organisms","Chemical Communications","2021","","","","","10.1039/D1CC05494E","","","0.71073","MoKα","","0.043","0.033","","","0.083","0.0896","","","","","","1.032","","","","has coordinates","271061","2021-12-03","22:55:49",""
"7129345","12.7733","0.0013","19.091","0.002","22.774","0.003","104.066","0.005","100.757","0.004","94.934","0.004","5241.8","1","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 B0.5 F0.5 Fe33 N33 O33 -","- C79 H64 B4 F16 Fe2 N23 O7 -","- C158 H128 B8 F32 Fe4 N46 O14 -","2","1","","Yang, Yang; Li, Hanning; Jing, Xu; Wu, Yuchen; Shi, Youpeng; Duan, Chunying","Dye-loaded metal-organic helical capsules applied to the combination of photocatalytic H2S splitting and nitroaromatic hydrogenation","Chemical Communications","2021","","","","","10.1039/D1CC06166F","","","0.71073","MoKα","","0.1705","0.1133","","","0.3021","0.3456","","","","","","1.023","","","","has coordinates","271062","2021-12-03","22:56:48",""
"7129346","10.407","0.003","10.407","0.003","48.843","0.012","90","","90","","120","","4581","2","223","2","223","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C16 H11 F2 Fe0.33 N2.17 O2 S0.67 -","- C16 H11 F1.9999 Fe0.333333 N2.16667 O1.9999 S0.666633 -","- C192 H132 F23.9988 Fe4 N26 O23.9988 S7.9996 -","12","1","","Yang, Yang; Li, Hanning; Jing, Xu; Wu, Yuchen; Shi, Youpeng; Duan, Chunying","Dye-loaded metal-organic helical capsules applied to the combination of photocatalytic H2S splitting and nitroaromatic hydrogenation","Chemical Communications","2021","","","","","10.1039/D1CC06166F","","","0.71073","MoKα","","0.2597","0.1199","","","0.281","0.3444","","","","","","1.158","","","","has coordinates,has disorder","271062","2021-12-03","22:56:48",""
"7129347","8.5374","0.0003","9.2036","0.0004","17.4252","0.0007","95.226","0.002","93.002","0.002","116.853","0.001","1209.71","0.08","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","[Ni(dnppe)(Ph-F)(I)]","","- C20 H36 F I Ni P2 -","- C20 H36 F I Ni P2 -","- C40 H72 F2 I2 Ni2 P4 -","2","1","","Demchuk, Mitchell J.; Zurakowski, Joseph A.; Austen, Brady J. H.; Nelson, David J.; Drover, Marcus W.","Competitive gold/nickel transmetalation","Chemical Communications","2021","","","","","10.1039/D1CC06064C","","","1.54178","CuKα","","0.0255","0.0241","","","0.0564","0.0569","","","","","","1.146","","","","has coordinates","271249","2021-12-07","22:55:15",""
"7129348","11.6301","0.0003","12.1425","0.0003","24.6036","0.0007","82.97","0.001","86.188","0.001","68.026","0.001","3197.04","0.15","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","[Au(PPh3)(4-C5H4N)]","","- C23 H19 Au N P -","- C23 H19 Au N P -","- C138 H114 Au6 N6 P6 -","6","3","","Demchuk, Mitchell J.; Zurakowski, Joseph A.; Austen, Brady J. H.; Nelson, David J.; Drover, Marcus W.","Competitive gold/nickel transmetalation","Chemical Communications","2021","","","","","10.1039/D1CC06064C","","","1.54178","CuKα","","0.0504","0.0338","","","0.0678","0.0748","","","","","","1.016","","","","has coordinates","271249","2021-12-07","22:55:17",""
"7129349","9.3567","0.0006","10.7079","0.0006","14.3234","0.0008","81.633","0.005","87.519","0.005","83.289","0.005","1409.56","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H19 F3 N2 O3 S -","- C34 H19 F3 N2 O3 S -","- C68 H38 F6 N4 O6 S2 -","2","1","","Wang, Tianbao; Zheng, Qinze; Wang, Linhua; Huang, Zhenmei; Zhang, Huaxing; Zhang, Yuming; Zhang, Cheng; Gao, Ge","Synthesis of cationic π-extended imidazolium salts by sequential Cu-catalyzed arylation/annulation and photocyclization","Chemical Communications","2021","","","","","10.1039/D1CC06194A","","x-ray","0.71073","MoKα","","0.1117","0.0749","","","0.2067","0.2298","","","","","","1.094","","","","has coordinates","271250","2021-12-07","22:55:58",""
"7129350","8.4814","0.0004","14.584","0.0009","16.2845","0.001","90","","103.547","0.002","90","","1958.23","0.19","301","2","301","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 B F4 N2 -","- C25 H15 B F4 N2 -","- C100 H60 B4 F16 N8 -","4","1","","Wang, Tianbao; Zheng, Qinze; Wang, Linhua; Huang, Zhenmei; Zhang, Huaxing; Zhang, Yuming; Zhang, Cheng; Gao, Ge","Synthesis of cationic π-extended imidazolium salts by sequential Cu-catalyzed arylation/annulation and photocyclization","Chemical Communications","2021","","","","","10.1039/D1CC06194A","","","0.71073","MoKα","","0.1228","0.0718","","","0.2064","0.2533","","","","","","1.032","","","","has coordinates","271250","2021-12-07","22:55:59",""
"7129351","14.9827","0.0005","4.4969","0.0001","13.1144","0.0004","90","","115.361","0.001","90","","798.44","0.04","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N4 -","- C2 H4 N4 -","- C16 H32 N32 -","8","1","","Zhao, Zihao; Li, Yuxuan; Chen, Xiaohong; Zhang, Yongming; Yuan, Wang Zhang","Robust and color-tunable afterglows from guanidine derivatives","Chemical Communications","2021","","","","","10.1039/D1CC06616A","","","1.54178","CuKα","","0.0346","0.0329","","","0.096","0.0973","","","","","","1.096","","","","has coordinates","271251","2021-12-07","22:56:38",""
"7129352","4.9399","0.0002","6.0035","0.0003","17.1666","0.0008","90","","94.272","0.002","90","","507.69","0.04","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H7 N3 O2 -","- C3 H7 N3 O2 -","- C12 H28 N12 O8 -","4","1","","Zhao, Zihao; Li, Yuxuan; Chen, Xiaohong; Zhang, Yongming; Yuan, Wang Zhang","Robust and color-tunable afterglows from guanidine derivatives","Chemical Communications","2021","","","","","10.1039/D1CC06616A","","","1.54178","CuKα","","0.0517","0.0477","","","0.1348","0.1387","","","","","","1.236","","","","has coordinates","271251","2021-12-07","22:56:38",""
"7129353","32.443","0.006","9.373","0.0005","23.143","0.004","90","","130.84","0.03","90","","5324","3","292.98","0.1","292.98","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 N3 O3 -","- C33 H33 N3 O3 -","- C264 H264 N24 O24 -","8","1","","Wang, Yongcheng; Teng, Yu; Yang, Hong; Li, Xiang; Yin, Dali; Tian, Yulin","Bioorthogonally Applicable Multicolor Fluorogenic Naphthalimide-Tetrazine Probes with Aggregation-Induced Emission Characters","Chemical Communications","2021","","","","","10.1039/D1CC05204G","","x-ray","1.54184","CuKα","","0.1132","0.076","","","0.2175","0.252","","","","","","1.043","","","","has coordinates,has disorder","271252","2021-12-07","22:57:08",""
"7129354","10.2732","0.0001","26.8858","0.0003","28.599","0.0003","90","","90","","90","","7899.14","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C94 H92 N4 O14 -","- C94 H92 N4 O14 -","- C376 H368 N16 O56 -","4","1","","Song, Zhiyi; Sato, Hiroyasu; Pietropaolo, Adriana; Wang, Qingyu; Shimoda, Shuhei; Dai, Heshuang; Imai, Yoshitane; Toda, Hayato; Harada, Takunori; Shichibu, Yukatsu; Konishi, Katsuaki; Bando, Masayoshi; Naga, Naofumi; Nakano, Tamaki","Aggregation-induced Chirality Amplification of Optically Active Fluorescent Polyurethane and Cyclic Dimer in the Ground and Excited States","Chemical Communications","2021","","","","","10.1039/D1CC05633F","","x-ray","1.54184","CuKα","","0.0871","0.0726","","","0.214","0.2313","","","","","","1.048","","","","has coordinates,has disorder","271272","2021-12-08","22:55:32",""
"7129355","14.109","0.002","14.636","0.002","15.67","0.002","90","","90.751","0.003","90","","3235.6","0.8","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H92 B2 Cl2 Li4 O2 Si4 -","- C60 H92 B2 Cl2 Li4 O2 Si4 -","- C120 H184 B4 Cl4 Li8 O4 Si8 -","2","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0566","0.0413","","","0.0977","0.1045","","","","","","1.043","","","","has coordinates,has disorder","271273","2021-12-08","22:57:30",""
"7129356","25.802","0.003","25.796","0.003","23.532","0.002","90","","90","","90","","15663","3","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C73 H104 B2 Cl2 N4 Si4 Sn2 -","- C73 H104 B2 Cl2 N4 Si4 Sn2 -","- C584 H832 B16 Cl16 N32 Si32 Sn16 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0231","0.0216","","","0.0494","0.0503","","","","","","1.039","","","","has coordinates","271273","2021-12-08","22:57:31",""
"7129357","19.048","0.002","11.2539","0.0012","25.727","0.003","90","","90","","90","","5515","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C52 H72 B2 Cl2 Ge2 Si4 -","- C52 H72 B2 Cl2 Ge2 Si4 -","- C208 H288 B8 Cl8 Ge8 Si16 -","4","0.5","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0365","0.0282","","","0.0716","0.0756","","","","","","1.02","","","","has coordinates,has disorder","271273","2021-12-08","22:57:32",""
"7129358","18.8007","0.0008","11.4507","0.0005","25.8667","0.0011","90","","90","","90","","5568.6","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B Cl Si2 Sn -","- C26 H36 B Cl Si2 Sn -","- C208 H288 B8 Cl8 Si16 Sn8 -","8","1","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0204","0.0182","","","0.0488","0.0503","","","","","","1.095","","","","has coordinates","271273","2021-12-08","22:57:32",""
"7129359","9.2086","0.001","11.0462","0.0012","14.4968","0.0016","111.74","0.002","94.288","0.002","96.866","0.002","1348.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 B Cl Si2 -","- C26 H36 B Cl Si2 -","- C52 H72 B2 Cl2 Si4 -","2","1","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0357","0.0315","","","0.0877","0.0909","","","","","","1.033","","","","has coordinates","271273","2021-12-08","22:57:32",""
"7129360","18.172","0.003","18.172","0.003","11.769","0.003","90","","90","","90","","3886.4","1.3","100","2","100","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C73 H104 B2 Cl2 Ge2 N4 Si4 -","- C73 H104 B2 Cl2 Ge2 N4 Si4 -","- C146 H208 B4 Cl4 Ge4 N8 Si8 -","2","0.25","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0289","0.0264","","","0.0611","0.0622","","","","","","1.079","","","","has coordinates,has disorder","271273","2021-12-08","22:57:33",""
"7129361","15.8126","0.0013","16.2239","0.0014","22.9218","0.0019","87.921","0.002","74.394","0.002","68.826","0.002","5269.1","0.8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H81 B Si2 Sn -","- C52 H81 B Si2 Sn -","- C208 H324 B4 Si8 Sn4 -","4","2","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0441","0.0322","","","0.0775","0.0845","","","","","","1.016","","","","has coordinates,has disorder","271273","2021-12-08","22:57:33",""
"7129362","13.6558","0.0016","15.5207","0.0018","26.337","0.003","90","","99.937","0.002","90","","5498.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H88 B Ge Si2 -","- C55 H88 B Ge Si2 -","- C220 H352 B4 Ge4 Si8 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Sindlinger, Christian P.","Borole-based half-sandwich complexes of germanium and tin","Chemical Communications","2021","","","","","10.1039/D1CC06227A","","x-ray","0.71073","MoKα","","0.0416","0.0314","","","0.0774","0.0823","","","","","","1.036","","","","has coordinates","271273","2021-12-08","22:57:33",""
"7129363","10.417","0.008","13.107","0.009","14.452","0.01","82.25","0.02","69.77","0.02","86.78","0.02","1834","2","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 B10 O4 -","- C37 H40 B10 O4 -","- C74 H80 B20 O8 -","2","1","","Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei","Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents","Chemical Communications","2021","","","","","10.1039/D1CC05936J","","","0.71073","MoKα","","0.1093","0.0701","","","0.1757","0.2055","","","","","","1.053","","","","has coordinates","271274","2021-12-08","22:59:11",""
"7129364","10.378","0.0008","21.2751","0.0015","17.0225","0.0012","90","","93.702","0.002","90","","3750.6","0.5","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H36 B10 F4 O4 -","- C37 H36 B10 F4 O4 -","- C148 H144 B40 F16 O16 -","4","1","","Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei","Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents","Chemical Communications","2021","","","","","10.1039/D1CC05936J","","","0.71073","MoKα","","0.0694","0.0431","","","0.0949","0.1114","","","","","","1.049","","","","has coordinates,has disorder","271274","2021-12-08","22:59:12",""
"7129365","10.465","0.0012","13.5333","0.0016","14.4641","0.0017","96.643","0.004","111.103","0.004","93.586","0.004","1886.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 B10 F4 O4 -","- C37 H35 B10 F4 O4 -","- C74 H70 B20 F8 O8 -","2","1","","Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei","Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents","Chemical Communications","2021","","","","","10.1039/D1CC05936J","","","0.71073","MoKα","","0.084","0.0685","","","0.1857","0.2034","","","","","","1.044","","","","has coordinates,has disorder","271274","2021-12-08","22:59:13",""
"7129366","26.398","0.002","12.3769","0.0008","28.5896","0.0018","90","","104.828","0.006","90","","9029.9","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H56 B10 O4 -","- C45 H56 B10 O4 -","- C360 H448 B80 O32 -","8","1","","Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei","Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents","Chemical Communications","2021","","","","","10.1039/D1CC05936J","","","0.71073","MoKα","","0.0705","0.0542","","","0.1487","0.1617","","","","","","1.035","","","","has coordinates","271274","2021-12-08","22:59:13",""
"7129367","9.1738","0.0002","11.5881","0.0002","18.4905","0.0004","90","","90","","90","","1965.67","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 O3 S -","- C25 H18 O3 S -","- C100 H72 O12 S4 -","4","1","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","x-ray","1.54184","CuKα","","0.0403","0.0373","","","0.0969","0.1001","","","","","","1.042","","","","has coordinates","271275","2021-12-08","23:00:43",""
"7129368","12.9471","0.0004","19.2285","0.0004","13.933","0.0004","90","","111.418","0.004","90","","3229.12","0.18","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H29 F N2 O5 S -","- C38 H29 F N2 O5 S -","- C152 H116 F4 N8 O20 S4 -","4","2","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","","1.54184","CuKα","","0.0645","0.0482","","","0.1233","0.1406","","","","","","1.03","","","","has coordinates","271275","2021-12-08","23:00:48",""
"7129369","10.0702","0.0004","11.9626","0.0008","12.1903","0.0007","117.754","0.006","91.918","0.004","96.198","0.004","1286.11","0.15","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H23 N O3 S -","- C31 H23 N O3 S -","- C62 H46 N2 O6 S2 -","2","2","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","","1.54184","CuKα","","0.0559","0.0494","","","0.1247","0.1344","","","","","","1.025","","","","has coordinates","271275","2021-12-08","23:00:48",""
"7129370","11.2382","0.0004","18.0725","0.0007","15.2764","0.0005","90","","94.28","0.004","90","","3094.02","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H29 N O5 S -","- C34 H29 N O5 S -","- C136 H116 N4 O20 S4 -","4","2","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","x-ray","1.54184","CuKα","","0.0855","0.0714","","","0.2003","0.22","","","","","","1.019","","","","has coordinates,has disorder","271275","2021-12-08","23:00:48",""
"7129371","4.399","0.0008","13.512","0.002","18.26","0.003","71.73","0.004","90","","80.63","","1015.4","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","1-(4-(9H-carbazol-9-yl)phenyl)-3-(propylamino)pyrrolidine-2,5-dione","","- C25 H24 N3 O2 -","- C25 H23 N3 O2 -","- C50 H46 N6 O4 -","2","1","","Li, Xiaohui; Zhang, Qi; Zhang, Xin","Deep-blue-emitting nanoaggregates from carbazole-based dyes in water","Chemical Communications","2021","","","","","10.1039/D1CC05441D","","","0.71073","MoKα","","0.1058","0.0648","","","0.1983","0.2313","","","","","","0.946","","","","has coordinates","271276","2021-12-08","23:01:34",""
"7129372","10.0721","0.0003","12.0638","0.0004","20.9044","0.0006","90","","90","","90","","2540.05","0.13","172","2","172","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O3 -","- C31 H29 N3 O3 -","- C124 H116 N12 O12 -","4","1","","Ruan, Peiran; Tang, Qiong; Yang, Zun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective formal [2+2+2] cycloaddition of 1,3,5-triazinanes to construct tetrahydropyrimidin-4-one derivatives","Chemical Communications","2021","","","","","10.1039/D1CC06549A","","","1.54178","CuKα","","0.0561","0.0485","","","0.1213","0.1303","","","","","","1.088","","","","has coordinates","271312","2021-12-09","22:56:20",""
"7129373","10.8845","0.0005","11.5297","0.0006","19.004","0.001","99.757","0.004","95.418","0.004","111.364","0.004","2157","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H64 B F2 Na O6 -","- C42 H64 B F2 Na O6 -","- C84 H128 B2 F4 Na2 O12 -","2","1","","Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Nucleophilic borylation of fluorobenzenes with reduced arylboranes","Chemical Communications","2021","","","","","10.1039/D1CC06225E","","","0.71073","MoKα","","0.0857","0.0661","","","0.1503","0.1665","","","","","","1.127","","","","has coordinates,has disorder","271313","2021-12-09","22:57:48",""
"7129374","17.311","0.0011","9.3726","0.0005","18.6925","0.0011","90","","96.886","0.005","90","","3011","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 B2 F2 N Na O2 -","- C33 H38 B2 F2 N Na O2 -","- C132 H152 B8 F8 N4 Na4 O8 -","4","1","","Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Nucleophilic borylation of fluorobenzenes with reduced arylboranes","Chemical Communications","2021","","","","","10.1039/D1CC06225E","","","0.71073","MoKα","","0.1738","0.1304","","","0.2191","0.2353","","","","","","1.381","","","","has coordinates","271313","2021-12-09","22:57:49",""
"7129375","14.9807","0.0007","11.3004","0.0003","21.6896","0.0009","90","","102.043","0.003","90","","3591","0.2","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H46 B2 F5 Li O8 -","- C36 H46 B2 F5 Li O8 -","- C144 H184 B8 F20 Li4 O32 -","4","1","","Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Nucleophilic borylation of fluorobenzenes with reduced arylboranes","Chemical Communications","2021","","","","","10.1039/D1CC06225E","","","0.71073","MoKα","","0.0892","0.0701","","","0.1595","0.1754","","","","","","1.176","","","","has coordinates","271313","2021-12-09","22:57:49",""
"7129376","14.7855","0.0006","11.3455","0.0003","21.3068","0.0008","90","","99.601","0.003","90","","3524.1","0.2","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H49 B2 F2 Li O8 -","- C36 H49 B2 F2 Li O8 -","- C144 H196 B8 F8 Li4 O32 -","4","1","","Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Nucleophilic borylation of fluorobenzenes with reduced arylboranes","Chemical Communications","2021","","","","","10.1039/D1CC06225E","","","0.71073","MoKα","","0.0489","0.0386","","","0.0951","0.1027","","","","","","1.046","","","","has coordinates","271313","2021-12-09","22:57:50",""
"7129377","15.1329","0.0012","15.4312","0.0014","17.5943","0.0016","115.739","0.007","93.23","0.007","112.736","0.006","3286.7","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H90 B2 F5 Na O6 -","- C66 H90 B2 F5 Na O6 -","- C132 H180 B4 F10 Na2 O12 -","2","1","","Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Nucleophilic borylation of fluorobenzenes with reduced arylboranes","Chemical Communications","2021","","","","","10.1039/D1CC06225E","","","0.71073","MoKα","","0.1913","0.1204","","","0.3236","0.3775","","","","","","1.325","","","","has coordinates,has disorder","271313","2021-12-09","22:57:50",""
"7129378","11.434","0.0004","19.511","0.0007","18.5193","0.0007","90","","90.374","0.003","90","","4131.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H126 B2 F4 Li2 O14 -","- C78 H126 B2 F4 Li2 O14 -","- C156 H252 B4 F8 Li4 O28 -","2","0.5","","Budy, Hendrik; Prey, Sven E.; Buch, Christoph D.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Nucleophilic borylation of fluorobenzenes with reduced arylboranes","Chemical Communications","2021","","","","","10.1039/D1CC06225E","","","0.71073","MoKα","","0.1218","0.1049","","","0.2594","0.2732","","","","","","1.139","","","","has coordinates,has disorder","271313","2021-12-09","22:57:50",""
"7129627","8.4032","0.0002","12.0627","0.0004","19.3355","0.0006","90","","95.819","0.001","90","","1949.85","0.1","303","2","303","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C H N O P -","- C3.2 H3.52 N0.16 O0.8 P0.16 -","- C80 H88 N4 O20 P4 -","25","6.25","","Mo, Kangdong; Zhou, Xiaocong; Wu, Ju; Zhao, Yufen","Radical-induced denitration of <i>N</i>-(<i>p</i>-nitrophenyl)propiolamides coupled with dearomatization: access to phosphonylated/trifluoromethylated azaspiro[4.5]-trienones.","Chemical communications (Cambridge, England)","2021","58","9","1306","1309","10.1039/d1cc05724c","","","1.54178","CuKα","","0.0563","0.0491","","","0.1398","0.1479","","","","","","1.069","","","","has coordinates","272302","2022-01-27","22:50:08",""
"7129628","14.1738","0.0008","6.7235","0.0004","15.9099","0.0008","90","","101.003","0.003","90","","1488.3","0.14","208","2","208","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H F N O P -","- C4 H2.82353 F0.705882 N0.235294 O0.470588 -","- C68 H48 F12 N4 O8 -","17","4.25","","Mo, Kangdong; Zhou, Xiaocong; Wu, Ju; Zhao, Yufen","Radical-induced denitration of <i>N</i>-(<i>p</i>-nitrophenyl)propiolamides coupled with dearomatization: access to phosphonylated/trifluoromethylated azaspiro[4.5]-trienones.","Chemical communications (Cambridge, England)","2021","58","9","1306","1309","10.1039/d1cc05724c","","","1.54178","CuKα","","0.0627","0.046","","","0.13","0.1379","","","","","","1.07","","","","has coordinates","272302","2022-01-27","22:50:09",""
"7157754","14.8685","0.0008","8.0336","0.0004","16.456","0.0009","90","","93.1431","0.0007","90","","1962.67","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0704","0.0562","","","0.1531","0.1652","","","","","","1.078","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157755","10.4535","0.0009","11.5142","0.001","17.3923","0.0014","71.1047","0.0011","87.8758","0.0011","89.5875","0.0011","1979.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","2","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","0.71073","MoKα","","0.0792","0.0521","","","0.131","0.1518","","","","","","1.023","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157756","15.4338","0.0003","8.3344","0.0002","16.0463","0.0003","90","","110.518","0.0008","90","","1933.12","0.07","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Wang, Baolei; Constantin, Marius-Georgian; Singh, Simarpreet; Zhou, Yuqiao; Davis, Rebecca L.; West, F. G.","Generation and trapping of electron-deficient 1,2-cyclohexadienes. Unexpected hetero-Diels-Alder reactivity.","Organic & biomolecular chemistry","2021","19","2","399","405","10.1039/d0ob02285c","","","1.54178","CuKα","","0.0455","0.043","","","0.126","0.1286","","","","","","1.103","","","","has coordinates","261759","2021-02-04","23:30:35",""
"7157757","11.3621","0.0009","11.4447","0.0009","11.5177","0.0009","90","","119.266","0.001","90","","1306.54","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Chiral Iridicyle 1","Chiral Iridicyle 1","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C62 H62 Cl2 Ir2 N2 O2 -","2","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0442","0.0445","","","","","","0.748","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157758","7.7357","0.0005","14.3256","0.0009","22.7397","0.0014","90","","90","","90","","2520","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Chiral Iridicyle 2","Chiral Iridicyle 2","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C124 H124 Cl4 Ir4 N4 O4 -","4","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0154","0.0146","","","0.0332","0.0334","","","","","","1.028","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157763","18.614","0.004","9.112","0.0018","16.553","0.003","90","","107.01","0.03","90","","2684.7","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C128 H88 Cl8 N16 O8 -","8","1","","Lin, Xinxin; Zeng, Cuilian; Liu, Chengkou; Fang, Zheng; Guo, Kai","C-5 selective chlorination of 8-aminoquinoline amides using dichloromethane.","Organic & biomolecular chemistry","2021","19","6","1352","1357","10.1039/d0ob02055a","","","0.71073","MoKα","","0.0763","0.0536","","","0.14","0.1581","","","","","","1.004","","","","has coordinates","262721","2021-03-05","02:26:06",""
"7157774","10.4037","0.0001","10.6504","0.0001","13.4206","0.0001","90","","90","","90","","1487.05","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0341","0.034","","0.0921","0.0919","0.0921","","","","","","1.0026","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157775","12.2886","0.0002","7.0684","0.0001","13.9005","0.0002","90","","104.496","0.0013","90","","1168.97","0.03","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.048","0.0478","","0.134","0.1339","0.134","","","","","","1.0042","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157776","10.6602","0.0005","8.6837","0.0003","12.1854","0.0005","90","","92.849","0.003","90","","1126.61","0.08","150","","150","","","","","","","","from U of Wollongong","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","0.71073","MoKα","","0.0461","0.0418","","0.096","0.0935","0.096","","","","","","1.0171","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157777","9.2571","0.0001","8.0452","0.0001","16.5061","0.0001","90","","98.63","0.0008","90","","1215.38","0.02","150","","150","","","","","","","","from U of Wollongong","6","P 1 21 1","P 2yb","4","","","","- C23 H34 Cl N O2 Si -","- C23 H34 Cl N O2 Si -","- C46 H68 Cl2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0403","0.0401","","0.1072","0.1066","0.1072","","","","","","1.0007","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157778","7.702","0.0001","11.2053","0.0002","14.0796","0.0002","90","","90.9742","0.0014","90","","1214.94","0.03","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0524","0.0512","","0.1395","0.138","0.1395","","","","","","1.0009","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157779","11.0485","0.0006","7.5574","0.0003","14.9506","0.0007","90","","108.179","0.005","90","","1186.03","0.1","150","","150","","","","","","","","from U of Wollongong","7","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl F N O2 Si -","- C23 H35 Cl F N O2 Si -","- C46 H70 Cl2 F2 N2 O4 Si2 -","2","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0598","0.0555","","0.1504","0.1436","0.1504","","","","","","0.9961","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157783","5.6978","0.0007","24.596","0.003","16.9362","0.0018","90","","94.356","0.004","90","","2366.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","18087z","","","- C25 H29 N O7 -","- C25 H29 N O7 -","- C100 H116 N4 O28 -","4","1","","Hammers, Matthew D.; Hodny, Michael H.; Bader, Taysir K.; Mahmoodi, M. Mohsen; Fang, Sifei; Fenton, Alexander D.; Nurie, Kadiro; Trial, Hallie O.; Xu, Feng; Healy, Andrew T.; Ball, Zachary T.; Blank, David A.; Distefano, Mark D.","Two-photon uncaging of bioactive thiols in live cells at wavelengths above 800 nm.","Organic & biomolecular chemistry","2021","19","10","2213","2223","10.1039/d0ob01986k","","","0.71073","MoKα","","0.0677","0.0538","","","0.1366","0.1467","","","","","","1.043","","","","has coordinates","263819","2021-04-05","15:14:23",""
"7157803","13.71398","0.00013","15.00188","0.00015","9.01525","0.00008","90","","93.206","0.0009","90","","1851.85","0.03","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 B F2 N3 O S -","- C22 H14 B F2 N3 O S -","- C88 H56 B4 F8 N12 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Kravets, Mykola; Luboradzki, Roman; Volyniuk, Dmytro; Sashuk, Volodymyr; Grazulevicius, Juozas Vidas","Carbazole-modified thiazolo[3,2-<i>c</i>][1,3,5,2]oxadiazaborinines exhibiting aggregation-induced emission and mechanofluorochromism.","Organic & biomolecular chemistry","2021","19","2","406","415","10.1039/d0ob02225j","","x-ray","1.54184","CuKα","","0.037","0.0367","","","0.0994","0.0998","","","","","","1.0537","","","","has coordinates","261760","2021-02-04","23:30:47",""
"7157804","9.5125","0.0009","10.2643","0.001","14.9575","0.0014","90","","90","","90","","1460.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Gao, Yu-Qi; Hou, Yi; Chen, Junhan; Zhen, Yanxia; Xu, Dongyang; Zhang, Hongli; Wei, Hongbo; Xie, Weiqing","Asymmetric synthesis of 9-alkyl tetrahydroxanthenones <i>via</i> tandem asymmetric Michael/cyclization promoted by chiral phosphoric acid.","Organic & biomolecular chemistry","2021","19","2","348","354","10.1039/d0ob02140g","","","1.54178","CuKα","","0.0351","0.029","","","0.0795","0.0817","","","","","","1.047","","","","has coordinates","261762","2021-02-04","23:30:57",""
"7157805","12.3306","0.0006","9.6662","0.0006","21.3703","0.0012","90","","91.206","0.002","90","","2546.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O3 -","- C31 H27 N O3 -","- C124 H108 N4 O12 -","4","1","","He, Chun-Ting; Han, Xiao-Li; Zhang, Yan-Xue; Du, Zhen-Ting; Si, Chang-Mei; Wei, Bang-Guo","Sc(OTf)<sub>3</sub>-catalyzed [3 + 2]-cycloaddition of nitrones with ynones.","Organic & biomolecular chemistry","2021","19","2","457","466","10.1039/d0ob02158j","","","0.71073","mokα","","0.0641","0.0426","","","0.0996","0.1138","","","","","","1.053","","","","has coordinates","261763","2021-02-04","23:31:03",""
"7157806","8.1617","0.0004","24.6313","0.0011","11.5178","0.0007","90","","91.993","0.005","90","","2314.1","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl F3 N2 O2 -","- C26 H20 Cl F3 N2 O2 -","- C104 H80 Cl4 F12 N8 O8 -","4","2","","Liu, Shuai-Jiang; Mao, Qing; Zhan, Gu; Qin, Rui; Chen, Ben-Hong; Xue, Jing; Luo, Meng-Lan; Zhao, Qian; Han, Bo","Stereoselective synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam through the organocatalytic cascade reaction of 3-((2,2,2-trifluoroethyl)amino)indolin-2-one.","Organic & biomolecular chemistry","2021","19","2","467","475","10.1039/d0ob02166k","","x-ray","0.71073","MoKα","","0.0763","0.0505","","","0.1091","0.122","","","","","","1.026","","","","has coordinates","261761","2021-02-04","23:30:52",""
"7157807","9.73","0.002","20.98","0.004","11.45","0.002","90","","104.39","0.03","90","","2264","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N O2 S -","- C28 H21 N O2 S -","- C112 H84 N4 O8 S4 -","4","1","","Kar, Abhishek; Chakraborty, Baitan; Kundal, Sandip; Rana, Gopal; Jana, Umasish","DDQ/FeCl<sub>3</sub>-mediated tandem oxidative carbon-carbon bond formation for the Synthesis of indole-fluorene hybrid molecules.","Organic & biomolecular chemistry","2021","19","4","906","910","10.1039/d0ob00413h","","","0.71073","MoKα","","0.1238","0.0543","","","0.1306","0.1701","","","","","","0.861","","","","has coordinates","262714","2021-03-05","02:24:39",""
"7157808","18.521","0.0004","18.521","0.0004","9.0228","0.0002","90","","90","","90","","3095.07","0.12","90","","90","","","","","","","","","5","I 41/a :2","-I 4ad","88","","2-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C112 H144 N16 O32 S16 -","16","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.036","0.0324","","","0.0887","0.0915","","","","","","1.067","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157809","6.6299","0.0002","16.2473","0.0004","7.5792","0.0002","90","","91.6792","0.0011","90","","816.07","0.04","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C28 H36 N4 O8 S4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0346","0.0311","","","0.0869","0.0893","","","","","","1.043","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157810","10.1687","0.0011","7.4132","0.0013","7.6623","0.0015","90","","100.344","0.005","90","","568.22","0.16","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C24 H32 N8 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0705","0.0483","","","0.1239","0.1347","","","","","","1.049","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157811","6.9213","0.0002","14.3941","0.0004","15.9579","0.0005","90","","90.6969","0.0014","90","","1589.7","0.08","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Toluenesulfonamide","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C56 H72 N8 O16 S8 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.057","0.0394","","","0.097","0.1051","","","","","","1.048","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157812","10.1116","0.0002","12.9234","0.0003","7.4954","0.0001","90","","90","","90","","979.47","0.03","90","","90","","","","","","","","","4","P b c n","-P 2n 2ab","60","","1,2-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0296","0.0279","","","0.0788","0.0801","","","","","","1.051","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157813","7.5162","0.0004","3.9503","0.0002","22.2292","0.0013","90","","93.257","0.003","90","","658.95","0.06","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0447","0.0343","","","0.086","0.0918","","","","","","1.058","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157814","17.8295","0.0005","6.9792","0.0002","7.9202","0.0002","90","","92.3238","0.0012","90","","984.74","0.05","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(methanesulfonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C32 H40 O16 S8 -","4","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0379","0.0306","","","0.0779","0.0825","","","","","","1.058","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157815","8.3017","0.0002","5.8957","0.0001","22.7478","0.0005","90","","93.5648","0.001","90","","1111.22","0.04","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","2","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.051","0.04","","","0.1058","0.1125","","","","","","1.027","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157816","9.4437","0.0001","8.5227","0.0001","4.0482","0.0001","90","","91.2214","0.0001","90","","325.749","0.01","90","","90","","","","","","","","","4","C 1 m 1","C -2y","8","","4-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0209","0.0209","","","0.052","0.052","","","","","","1.083","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157817","5.3453","0.0001","6.6576","0.0001","6.9904","0.0001","86.1628","0.0001","88.9324","0.0001","82.6823","0.0001","246.174","0.007","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,4-Bis(methaneslufonyl)benzene","","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","- C8 H10 O4 S2 -","1","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.038","0.0312","","","0.0723","0.0754","","","","","","1.05","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157818","8.0887","0.0001","11.9923","0.0002","23.8075","0.0004","90","","90.9951","0.0006","90","","2309.03","0.06","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,3-Phenylenediamine","","- C6 H8 N2 -","- C6 H8 N2 -","- C96 H128 N32 -","16","4","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0532","0.0383","","","0.0958","0.1035","","","","","","1.032","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157819","3.891","0.0002","10.2919","0.0004","16.3686","0.0007","90","","94.963","0.002","90","","653.04","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C28 H16 Br4 N4 -","4","1","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0448","0.0405","","","0.1115","0.1141","","","","","","1.179","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7157820","9.8262","0.0002","10.2492","0.0002","14.6317","0.0003","95.916","0.002","102.954","0.002","111.833","0.002","1304.44","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H54 N6 O4 -","- C54 H54 N6 O4 -","- C54 H54 N6 O4 -","1","0.5","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.0376","0.036","","","0.0902","0.0912","","","","","","1.033","","","","has coordinates","262715","2021-03-05","02:25:00",""
"7157821","11.5475","0.0003","11.5869","0.0003","16.748","0.0003","86.787","0.002","70.29","0.002","89.647","0.002","2106.08","0.09","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C47 H45 N3 O7 S2 -","- C44 H42 N2 O4 S2 -","- C88 H84 N4 O8 S4 -","2","1","","Prusty, Namrata; Kinthada, Lakshmana K.; Meena, Rohit; Chebolu, Rajesh; Ravikumar, Ponneri Chandrababu","Bismuth(iii)-catalyzed regioselective alkylation of tetrahydroquinolines and indolines towards the synthesis of bioactive core-biaryl oxindoles and CYP19 inhibitors.","Organic & biomolecular chemistry","2021","19","4","891","905","10.1039/d0ob02385j","","x-ray","1.54184","CuKα","","0.1033","0.0996","","","0.2653","0.2693","","","","","","1.032","","","","has coordinates","262715","2021-03-05","02:25:00",""
"7157822","18.0027","0.0003","17.5394","0.0003","7.634","0.0001","90","","91.611","0.0008","90","","2409.53","0.07","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Chada, Raji Reddy; Kajare, Roshan Chandrakant; Bhandari, Mayur C.; Mohammed, Siddique Z.; Khatravath, Mahender; Warudikar, Kamalkishor; Punna, Nagender","Facile access to [1,2]-oxazine derivatives via annulations of aminoxy-tethered 1,7-enynes.","Organic & biomolecular chemistry","2021","19","4","809","821","10.1039/d0ob02279a","","","0.71073","MoKα","","0.0945","0.0574","","","0.1329","0.1492","","","","","","1.067","","","","has coordinates","262716","2021-03-05","02:25:13",""
"7157823","9.9992","0.0004","10.1775","0.0005","12.6396","0.0006","69.319","0.005","80.319","0.004","84.713","0.004","1185.52","0.1","291.43","0.1","291.43","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N3 O -","- C30 H25 N3 O -","- C60 H50 N6 O2 -","2","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","x-ray","0.71073","MoKα","","0.0756","0.056","","","0.16","0.1738","","","","","","1.085","","","","has coordinates","262708","2021-03-05","02:23:38",""
"7157824","23.825","0.002","14.2553","0.0012","13.0345","0.0012","90","","112.464","0.003","90","","4091","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 N O4 S -","- C23 H18 F3 N O4 S -","- C184 H144 F24 N8 O32 S8 -","8","1","","De Abreu, Maxime; Tang, Yue; Brachet, Etienne; Selkti, Mohamed; Michelet, Véronique; Belmont, Philippe","Silver-catalyzed tandem cycloisomerization/hydroarylation reactions and mechanistic investigations for an efficient access to 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1037","1046","10.1039/d0ob02197k","","","0.71073","MoKα","","0.1366","0.0516","","","0.0868","0.1072","","","","","","0.919","","","","has coordinates","262708","2021-03-05","02:23:38",""
"7157825","5.6716","0.0005","11.2488","0.0011","11.2777","0.001","71.977","0.004","78.405","0.004","83.669","0.004","669.34","0.11","293.15","","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Hu, Wangcheng; He, Xinwei; Zhou, Tongtong; Zuo, Youpeng; Zhang, Shiwen; Yang, Tingting; Shang, Yongjia","Construction of isoxazolone-fused phenanthridines <i>via</i> Rh-catalyzed cascade C-H activation/cyclization of 3-arylisoxazolones with cyclic 2-diazo-1,3-diketones.","Organic & biomolecular chemistry","2021","19","3","552","556","10.1039/d0ob02310h","","","0.71073","MoKα","","0.0588","0.0429","","","0.1052","0.1145","","","","","","1.036","","","","has coordinates","261767","2021-02-04","23:31:36",""
"7157826","8.4191","0.0002","10.2779","0.0002","11.5069","0.0003","71.584","0.001","72.713","0.001","72.084","0.001","876.57","0.04","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C40 H28 Cl4 O8 -","2","1","","Zhao, Bin; Xu, Bo","Visible-light promoted oxidative cyclization of cinnamic acid derivatives using xanthone as the photocatalyst.","Organic & biomolecular chemistry","2021","19","3","568","573","10.1039/d0ob02417a","","","1.34139","GaKα","","0.0423","0.0364","","","0.1","0.1056","","","","","","1.04","","","","has coordinates","261766","2021-02-04","23:31:31",""
"7157827","4.844","0.006","7.64","0.02","18.26","0.02","91","0.3","93.03","0.14","90.89","0.19","675","2","120","","120","","","","","","","","","4","P -1","-P 1","2","","(1R,5R,6R,7S,8aR)-6,7-dihydroxy-5-(hydroxymethyl)-1-pentylhexahydro-3H-oxazolo[3,4-a]pyridin-3-one","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C26 H46 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","x-ray","0.71069","MoKα","","0.0898","0.0593","","","0.1245","0.1397","","","","1.68","1.68","1.62","","","","has coordinates","262710","2021-03-05","02:23:50",""
"7157828","8.3","0.002","6.2591","0.0006","9.34","0.002","90","","108.02","0.02","90","","461.42","0.16","80","2","80","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C18 H22 N2 O10 -","2","1","","Lumbroso, Alexandre; Berthonneau, Clément; Beaudet, Isabelle; Quintard, Jean-Paul; Planchat, Aurélien; García-Moreno, M Isabel; Ortiz Mellet, Carmen; Le Grognec, Erwan","A versatile stereocontrolled synthesis of 2-deoxyiminosugar C-glycosides and their evaluation as glycosidase inhibitors.","Organic & biomolecular chemistry","2021","19","5","1083","1099","10.1039/d0ob02249g","","","0.71073","MoKα","","0.0378","0.0302","","","0.0742","0.076","","","","","","1.054","","","","has coordinates","262710","2021-03-05","02:23:51",""
"7157829","9.3481","0.0014","11.8624","0.0017","17.695","0.003","90","","100.756","0.004","90","","1927.7","0.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paudyal, Mahesh P.; Wang, Mingliang; Siitonen, Juha H.; Hu, Yimin; Yousufuddin, Muhammed; Shen, Hong C.; Falck, John R.; Kürti, László","Intramolecular N-Me and N-H aminoetherification for the synthesis of <i>N</i>-unprotected 3-amino-O-heterocycles.","Organic & biomolecular chemistry","2021","19","3","557","560","10.1039/d0ob02122a","","","0.71073","MoKα","","0.0716","0.0491","","","0.1623","0.1804","","","","","","1.248","","","","has coordinates","261765","2021-02-04","23:31:26",""
"7157830","8.9919","0.0002","12.2777","0.0002","14.0831","0.0003","90","","90","","90","","1554.77","0.05","153","","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Chang, Zhiqian; Zhu, Huilong; Wu, Changhui; Xing, Junhao; Dou, Xiaowei","A rhodium-catalysed conjugate addition/cyclization cascade for the asymmetric synthesis of 2-amino-4H-chromenes.","Organic & biomolecular chemistry","2021","19","4","785","788","10.1039/d0ob02404j","","","1.54178","CuKα","","0.0355","0.0324","","","0.0807","0.0834","","","","","","1.087","","","","has coordinates","262713","2021-03-05","02:24:31",""
"7157831","7.9985","0.0006","10.3197","0.0006","22.414","0.0014","90","","93.464","0.002","90","","1846.7","0.2","273","2","273.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","Hygrophorone A12","","- C18 H32 O4 -","- C18 H32 O4 -","- C72 H128 O16 -","4","2","","Das, Sayani; Dalal, Anu; Gholap, Shivajirao L.","Stereoselective total syntheses of (-)-hygrophorone A<sup>12</sup>, 4-<i>O</i>-acetyl-hygrophorone A<sup>12</sup> and (+)-hygrophorone B<sup>12</sup>.","Organic & biomolecular chemistry","2021","19","5","1100","1108","10.1039/d0ob02303e","","","0.71073","MoKα","","0.0862","0.0501","","","0.1023","0.1169","","","","","","1.025","","","","has coordinates","262706","2021-03-05","02:23:26",""
"7157832","9.8242","0.0001","13.6944","0.0002","17.0549","0.0003","83.081","0.001","83.318","0.001","79.105","0.001","2226.41","0.06","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H43 Cl3 N2 O6 -","- C53 H43 Cl3 N2 O6 -","- C106 H86 Cl6 N4 O12 -","2","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.077","0.0634","","","0.1779","0.1861","","","","","","1.048","","","","has coordinates,has disorder","262711","2021-03-05","02:24:19",""
"7157833","10.5325","0.0002","8.1523","0.0002","19.8965","0.0004","90","","94.68","0.002","90","","1702.7","0.06","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.044","0.0353","","","0.0893","0.0939","","","","","","1.063","","","","has coordinates","262711","2021-03-05","02:24:19",""
"7157834","8.6565","0.0002","9.9527","0.0002","20.7506","0.0005","90","","96.235","0.002","90","","1777.2","0.07","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O5 -","- C20 H21 N O5 -","- C80 H84 N4 O20 -","4","1","","Hsueh, Nai-Chen; Chen, Shin-Mei; Lin, Chun-Yi; Chang, Meng-Yang","HCl-mediated cascade cyclocondensation of oxygenated arylacetic acids with arylaldehydes: one-pot synthesis of 1-arylisoquinolines.","Organic & biomolecular chemistry","2021","19","5","1047","1059","10.1039/d0ob02431g","","x-ray","0.71073","MoKα","","0.0728","0.0636","","","0.1507","0.155","","","","","","1.109","","","","has coordinates","262711","2021-03-05","02:24:19",""
"7157835","12.14946","0.00015","6.86531","0.00007","15.15149","0.00018","90","","108.158","0.0013","90","","1200.85","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0843","0.0849","","","","","","1.026","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157836","9.9597","0.001","15.095","0.0012","12.0193","0.0012","90","","108.577","0.011","90","","1712.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yang, Jian; Wang, Bei; Zhang, Yuankang; Zhang, Shuqing; He, Shuai; Shi, Zhi-Chuan; Wang, Ji-Yu","Copper-catalyzed one-pot amine-alkylation of quinones with amines and alkanes.","Organic & biomolecular chemistry","2021","19","5","988","992","10.1039/d0ob02514c","","x-ray","0.71073","MoKα","","0.0618","0.0486","","","0.1134","0.121","","","","","","1.066","","","","has coordinates","262712","2021-03-05","02:24:26",""
"7157837","4.9355","0.0004","9.9998","0.0008","44.492","0.003","90","","90","","90","","2195.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C96 H100 Br4 N8 O20 -","4","1","","Marshall, James W.; de Mattos-Shipley, Kate M J; Ghannam, Iman A. Y.; Munawar, Asifa; Killen, Jonathan C.; Lazarus, Colin M.; Cox, Russell J.; Willis, Christine L.; Simpson, Thomas J.","Fusarochromene, a novel tryptophan-derived metabolite from <i>Fusarium sacchari</i>.","Organic & biomolecular chemistry","2021","19","1","182","187","10.1039/d0ob02031a","","","1.54178","CuKα","","0.0495","0.0487","","","0.1216","0.122","","","","","","1.229","","","","has coordinates","260678","2021-01-07","04:51:02",""
"7157838","6.2936","0.0003","14.1248","0.0007","23.296","0.0009","90","","90","","90","","2070.92","0.16","293.9","0.3","293.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br F3 N2 O2 -","- C22 H18 Br F3 N2 O2 -","- C88 H72 Br4 F12 N8 O8 -","4","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0674","0.0634","","","0.1675","0.1749","","","","","","1.056","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157839","8.1897","0.0003","12.2546","0.0005","10.5538","0.0004","90","","90.193","0.003","90","","1059.19","0.07","295.1","0.4","295.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C48 H40 N4 O4 S2 -","2","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0531","0.0492","","","0.1245","0.1319","","","","","","1.033","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157840","4.954","0.003","20.606","0.013","16.56","0.01","90","","91.728","0.015","90","","1689.7","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Malasala, Satyaveni; Polomoni, Anusha; Chelli, Sai Manohar; Kar, Swayamsidda; Madhavi, Y. V.; Nanduri, Srinivas","A microwave-assisted copper-mediated tandem approach for fused quinazoline derivatives.","Organic & biomolecular chemistry","2021","19","8","1854","1859","10.1039/d0ob02312d","","","0.71073","MoKα","","0.0813","0.0558","","","0.1396","0.1559","","","","","","1.055","","","","has coordinates","263832","2021-04-05","15:16:25",""
"7157841","12.2034","0.0004","8.3948","0.0003","19.2731","0.0006","90","","91.4","0.003","90","","1973.85","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 -","- C24 H20 Cl N O2 -","- C96 H80 Cl4 N4 O8 -","4","1","","P, Rajesh; Almansour, Abdulrahman I.; Arumugam, Natarajan; Yaragorla, Srinivasarao","Calcium-catalyzed formal [3 + 2] annulation of <i>C</i>,<i>N</i>-diacyliminium ions with nucleophilic phenols: a diversity oriented synthesis of 3-aminofurans.","Organic & biomolecular chemistry","2021","19","5","1060","1065","10.1039/d0ob02276d","","","0.71073","MoKα","","0.0665","0.0436","","","0.1113","0.1254","","","","","","1.067","","","","has coordinates","262707","2021-03-05","02:23:32",""
"7157842","10.235","0.002","10.235","0.002","23.295","0.012","90","","90","","90","","2440.3","1.4","296","2","296","2","","","","","","","","6","P 41","P 4w","76","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C104 H72 Br4 N12 O8 S4 -","4","1","","Wang, Wenyao; Wei, Shiqiang; Bao, Xiaoze; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Enantioselective [3 + 2] annulation of 4-isothiocyanato pyrazolones and alkynyl ketones under organocatalysis.","Organic & biomolecular chemistry","2021","19","5","1145","1154","10.1039/d0ob02423f","","","0.71073","MoKα","","0.0987","0.0488","","","0.1038","0.1213","","","","","","0.951","","","","has coordinates","262705","2021-03-05","02:23:20",""
"7157843","8.9714","0.0015","6.6608","0.0007","19.405","0.003","90","","98.551","0.015","90","","1146.7","0.3","114","1","114","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","1","","Samser, Shaikh; Biswal, Priyabrata; Meher, Sushanta Kumar; Venkatasubbaiah, Krishnan","Palladium mediated one-pot synthesis of 3-aryl-cyclohexenones and 1,5-diketones from allyl alcohols and aryl ketones.","Organic & biomolecular chemistry","2021","19","6","1386","1394","10.1039/d0ob02515a","","x-ray","1.54184","CuKα","","0.1201","0.1022","","","0.2919","0.319","","","","","","1.28","","","","has coordinates","262719","2021-03-05","02:25:51",""
"7157844","8.3267","0.0018","8.7156","0.0019","16.902","0.004","97.684","0.003","91.3","0.002","94.942","0.002","1210.4","0.5","182","2","181.65","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 N2 O4 S -","- C29 H24 N2 O4 S -","- C58 H48 N4 O8 S2 -","2","1","","Wang, Hai-Qing; Ma, Wenjing; Sun, Ao; Sun, Xin-Yue; Jiang, Chao; Zhang, Yu-Chen; Shi, Feng","(4 + 2) cyclization of aza-<i>o</i>-quinone methides with azlactones: construction of biologically important dihydroquinolinone frameworks.","Organic & biomolecular chemistry","2021","19","6","1334","1343","10.1039/d0ob02388d","","","0.71073","MoKα","","0.063","0.048","","","0.1196","0.1288","","","","","","1.029","","","","has coordinates","262717","2021-03-05","02:25:29",""
"7157845","10.1798","0.0002","10.3113","0.0002","12.4879","0.0003","112.371","0.002","101.901","0.002","101.004","0.002","1132.33","0.05","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H26 N2 O3 S Si -","- C23 H26 N2 O3 S Si -","- C46 H52 N4 O6 S2 Si2 -","2","1","","Tsuda, Masato; Morita, Taiki; Fukuhara, Shintaro; Nakamura, Hiroyuki","Synthesis of 4-amino-5-allenylisoxazoles <i>via</i> gold(I)-catalysed propargyl aza-Claisen rearrangement.","Organic & biomolecular chemistry","2021","19","6","1358","1364","10.1039/d0ob02544e","","x-ray","1.54184","CuKα","","0.0457","0.0426","","","0.115","0.1175","","","","","","1.085","","","","has coordinates","262720","2021-03-05","02:25:59",""
"7157846","6.1764","0.0002","22.3986","0.0006","16.9215","0.0005","90","","94.563","0.001","90","","2333.55","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","2","","Chen, Yan-Ni; Ding, Xiao; Li, Dong-Mei; Sun, Mao; Yang, Lei; Zhang, Yu; Di, Ying-Tong; Fang, Xin; Hao, Xiao-Jiang","Diterpenoids with an unprecedented ring system from <i>Euphorbia peplus</i> and their activities in the lysosomal-autophagy pathway.","Organic & biomolecular chemistry","2021","19","7","1541","1545","10.1039/d0ob02414g","","","1.54178","CuKα","","0.0288","0.0285","","","0.0709","0.0711","","","","","","1.034","","","","has coordinates,has disorder","262723","2021-03-05","02:26:19",""
"7157847","9.65728","0.00015","15.7878","0.0003","31.1416","0.0004","90","","93.2577","0.0014","90","","4740.4","0.13","110","0.4","110","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-benzyl-5,8-diaza-1-thiacycloicosane-4,7,20-trione","","- C24 H36 N2 O3 S -","- C24 H36 N2 O3 S -","- C192 H288 N16 O24 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0527","0.0416","","","0.0983","0.1049","","","","","","1.019","","","","has coordinates,has disorder","262718","2021-03-05","02:25:43",""
"7157848","9.1158","0.0002","9.9322","0.0003","34.9595","0.0009","90","","92.94","0.002","90","","3161.07","0.14","110","0.1","110","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-thia-5-azacycloheptadecane-4,17-dione","","- C15 H27 N O2 S -","- C15 H27 N O2 S -","- C120 H216 N8 O16 S8 -","8","2","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0478","0.0442","","","0.1164","0.1172","","","","","","1.235","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157849","8.0303","0.0001","9.6259","0.0002","27.807","0.0006","90","","90","","90","","2149.45","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-thia-5-azacyclododecane-4,12-dione","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","1","","Palate, Kleopas Y.; Epton, Ryan G.; Whitwood, Adrian C.; Lynam, Jason M.; Unsworth, William P.","Synthesis of macrocyclic and medium-sized ring thiolactones <i>via</i> the ring expansion of lactams.","Organic & biomolecular chemistry","2021","19","6","1404","1411","10.1039/d0ob02502j","","x-ray","1.54184","CuKα","","0.0323","0.0284","","","0.0709","0.0737","","","","","","1.037","","","","has coordinates","262718","2021-03-05","02:25:46",""
"7157850","4.7659","0.0003","12.6787","0.0007","11.0168","0.0006","90","","95.803","0.002","90","","662.28","0.07","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N O7 -","- C14 H15 N O7 -","- C28 H30 N2 O14 -","2","1","","Dong, Sanfeng; Zhao, Yitian; Shi, Yulong; Xu, Zhijian; Shen, Jingshan; Jia, Qi; Li, Yiming; Chen, Kaixian; Li, Bo; Zhu, Weiliang","One step stereoselective synthesis of oxazoline-fused saccharides and their conversion into the corresponding 1,2-<i>cis</i> glycosylamines bearing various protected groups.","Organic & biomolecular chemistry","2021","19","7","1580","1588","10.1039/d0ob02477e","","","1.54184","CuKα","","0.0293","0.0279","","","0.0652","0.0663","","","","","","1.042","","","","has coordinates","262722","2021-03-05","02:26:12",""
"7157851","10.0294","0.0004","10.8154","0.0006","19.2909","0.0009","90","","90","","90","","2092.52","0.17","292.9","0.1","292.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","0.71073","MoKα","","0.074","0.0486","","","0.0865","0.0975","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157852","7.0441","0.00019","16.2447","0.0004","18.72","0.0005","90","","90","","90","","2142.12","0.1","293.44","0.1","293.44","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O3 -","- C25 H23 Cl N2 O3 -","- C100 H92 Cl4 N8 O12 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","1.54184","CuKα","","0.0496","0.0416","","","0.0957","0.1031","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157853","8.431","0.0005","10.6418","0.0011","11.6712","0.0014","115.047","0.011","104.819","0.008","94.55","0.007","895.84","0.19","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 O3 S -","- C23 H18 O3 S -","- C46 H36 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0935","0.0743","","","0.1566","0.1803","","","","","","1.099","","","","has coordinates","262726","2021-03-05","02:26:43",""
"7157854","8.1695","0.0006","11.1838","0.0009","12.1869","0.001","116.288","0.008","102.125","0.007","97.876","0.006","941.83","0.16","99.98","0.1","99.98","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 O3 S -","- C24 H20 O3 S -","- C48 H40 O6 S2 -","2","1","","Xie, Wucheng; Jian, Xinyi; Zhang, Liyang; Jin, Kexin; Shi, Junjun; Zhu, Feng","Synthesis of C3-sulfone substituted naphthols <i>via</i> rhodium(III)-catalyzed annulation of sulfoxonium ylides with alkynylsulfones.","Organic & biomolecular chemistry","2021","19","7","1498","1502","10.1039/d0ob02267e","","x-ray","0.71073","MoKα","","0.0546","0.0441","","","0.1087","0.1163","","","","","","1.042","","","","has coordinates","262726","2021-03-05","02:26:43",""
"7157855","10.234","0.003","14.235","0.005","30.529","0.012","90","","90","","90","","4447","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N2 O3 -","- C26 H23 Cl N2 O3 -","- C208 H184 Cl8 N16 O24 -","8","2","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","0.71073","MoKα","","0.0554","0.0427","","","0.0901","0.0958","","","","","","1.02","","","","has coordinates","263831","2021-04-05","15:16:10",""
"7157856","10.6498","0.0004","10.95","0.0004","21.8176","0.0008","90","","104.078","0.002","90","","2467.85","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O3 -","- C30 H34 N2 O3 -","- C120 H136 N8 O12 -","4","1","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","1.54178","CuKα","","0.0389","0.0359","","","0.0848","0.0864","","","","","","1.03","","","","has coordinates","263831","2021-04-05","15:16:19",""
"7157857","10.479","0.006","11.171","0.005","12.25","0.006","64.87","0.05","73.59","0.06","66.24","0.05","1177.4","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br N3 O2 S -","- C26 H18 Br N3 O2 S -","- C52 H36 Br2 N6 O4 S2 -","2","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.1614","0.0729","","","0.1374","0.1722","","","","","","1.07","","","","has coordinates,has disorder","263827","2021-04-05","15:15:22",""
"7157858","15.23","0.009","14.373","0.008","18.32","0.011","90","","106.462","0.015","90","","3846","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 O2 S2 -","- C50 H32 N2 O2 S2 -","- C200 H128 N8 O8 S8 -","4","1","","Babu, Sheba Ann; A R, Rajalekshmi; P R, Nitha; Omanakuttan, Vishnu K.; P, Rahul; Varughese, Sunil; John, Jubi","Unprecedented access to functionalized pyrrolo[2,1-<i>a</i>]isoquinolines from the domino reaction of isoquinolinium ylides and electrophilic benzannulated heterocycles.","Organic & biomolecular chemistry","2021","19","8","1807","1817","10.1039/d1ob00005e","","","0.71073","MoKα","","0.2278","0.0669","","","0.1278","0.1889","","","","","","0.987","","","","has coordinates","263827","2021-04-05","15:15:22",""
"7157859","11.1078","0.0007","14.2349","0.0009","14.7424","0.001","63.737","0.006","72.36","0.006","82.226","0.005","1992.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F14 O14 S14 -","- C54 H33 F3 S3 -","- C108 H66 F6 S6 -","2","1","","Zhang, Yuan; Lai, Weiping; Zhang, Lianpeng; Gao, Xiaoxing; Qiu, Guanyinsheng; Zhou, Hongwei","The copper-catalyzed synthesis of (<i>Z</i>)-2<i>H</i>-naphtho[1,8-<i>bc</i>]thiophenes with solid emission.","Organic & biomolecular chemistry","2021","19","8","1827","1834","10.1039/d0ob02233k","","x-ray","0.71073","MoKα","","0.1103","0.0676","","","0.1703","0.2023","","","","","","1.027","","","","has coordinates","263828","2021-04-05","15:15:27",""
"7157860","7.84","0.0004","11.8374","0.0006","11.9176","0.0006","111.955","0.002","97.653","0.002","98.734","0.002","991.91","0.09","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","Compound-3f","2-Chloro-8-methoxy-6'-(trifluoromethyl)-6H-spiro[dibenzo[b,e]oxepine-11,3'-indolin]-2'-one","","- C23 H15 Cl F3 N O3 -","- C23 H15 Cl F3 N O3 -","- C46 H30 Cl2 F6 N2 O6 -","2","1","","Samikannu, Ramesh; Sethuraman, Sankaranarayanan; Akula, Nagaraja; Radhakrishnan, Vignesh; Kamisetti, Srinivasarao; Banu, Shabana; Vetrichelvan, Muthalagu; Gupta, Anuradha; Li, Jianqing; Rampulla, Richard; Mathur, Arvind","Solvent-specific, DAST-mediated intramolecular Friedel-Crafts reaction: access to dibenzoxepine-fused spirooxindoles.","Organic & biomolecular chemistry","2021","19","8","1760","1768","10.1039/d0ob02461a","","x-ray","1.54178","CuKα","","0.0452","0.0437","","","0.1213","0.1233","","","","","","1.096","","","","has coordinates","263829","2021-04-05","15:15:49",""
"7157861","10.3275","0.0007","14.0098","0.0009","15.4589","0.0011","90.549","0.002","108.062","0.002","101.778","0.002","2075.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","ORGANIC","","","- C28 H20 O3 -","- C28 H20 O3 -","- C112 H80 O12 -","4","2","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","Mokα","","0.086","0.0588","","","0.1461","0.1675","","","","","","1.039","","","","has coordinates","262724","2021-03-05","02:26:28",""
"7157862","10.2296","0.0014","15.605","0.002","14.042","0.002","90","","93.949","0.002","90","","2236.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 F2 O2 S -","- C28 H18 F2 O2 S -","- C112 H72 F8 O8 S4 -","4","1","","Muthusamy, Sengodagounder; Malarvizhi, Muthukumar; Suresh, Eringathodi","Catalyst-free synthesis of 3,1-benzoxathiin-4-ones/1,3-benzodioxin-4-ones.","Organic & biomolecular chemistry","2021","19","7","1508","1513","10.1039/d0ob02543g","","","0.71073","MoKα","","0.0577","0.0506","","","0.1346","0.1423","","","","","","1.026","","","","has coordinates","262724","2021-03-05","02:26:30",""
"7157863","12.4218","0.00014","12.4218","0.00014","9.8189","0.0002","90","","90","","90","","1515.07","0.04","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H13 N O5 -","- C19 H13 N O5 -","- C76 H52 N4 O20 -","4","1","","Kostenko, Alexey A.; Bykova, Kseniya A.; Kucherenko, Alexander S.; Komogortsev, Andrey N.; Lichitsky, Boris V.; Zlotin, Sergei G.","2-Nitroallyl carbonate-based green bifunctional reagents for catalytic asymmetric annulation reactions.","Organic & biomolecular chemistry","2021","19","8","1780","1786","10.1039/d0ob02283g","","","0.71073","MoKα","","0.0222","0.0205","","","0.0526","0.0541","","","","","","1.048","","","","has coordinates","263830","2021-04-05","15:16:01",""
"7157864","13.1376","0.0012","14.5412","0.0013","15.0949","0.0014","90","","102.733","0.002","90","","2812.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Gao, Weiwei; Wang, Xiaodong; Yao, Linbin; Tang, Bencan; Mu, Guohao; Shi, Tao; Wang, Zhen","Synthesis of an isomer of lycoplanine A <i>via</i> cascade cyclization to construct the spiro-N,O-acetal moiety.","Organic & biomolecular chemistry","2021","19","8","1748","1751","10.1039/d0ob02399j","","","0.71073","MoKα","","0.0705","0.0448","","","0.1308","0.1553","","","","","","1.001","","","","has coordinates","263825","2021-04-05","15:15:10",""
"7157865","8.2965","0.0001","8.9484","0.0002","34.1519","0.0006","90","","90","","90","","2535.45","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O3 -","- C27 H36 N2 O3 -","- C108 H144 N8 O12 -","4","1","","Kimura, Yuto; Uraguchi, Daisuke; Ooi, Takashi","Catalytic asymmetric synthesis of 5-membered alicyclic α-quaternary β-amino acids <i>via</i> [3 + 2]-photocycloaddition of α-substituted acrylates.","Organic & biomolecular chemistry","2021","19","8","1744","1747","10.1039/d1ob00126d","","","1.54187","CuKα","","0.0305","0.0301","","","0.0797","0.08","","","","","","1.058","","","","has coordinates","263826","2021-04-05","15:15:16",""
"7157866","7.2529","0.0003","12.9297","0.0005","13.0243","0.0005","85.469","0.003","82.621","0.003","73.765","0.003","1161.78","0.08","99.99","0.13","99.99","0.13","","","","","","","","4","P -1","-P 1","2","","methyl 5-amino-4-cyano-3-phenyl-1H-pyrrole-2-carboxylate","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","2","","Agafonova, Anastasiya V.; Funt, Liya D.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","An isoxazole strategy for the synthesis of alkyl 5-amino-4-cyano-1<i>H</i>-pyrrole-2-carboxylates - versatile building blocks for assembling pyrrolo-fused heterocycles.","Organic & biomolecular chemistry","2021","19","9","1976","1984","10.1039/d1ob00053e","","x-ray","1.54184","CuKα","","0.0385","0.0341","","","0.0881","0.092","","","","","","1.019","","","","has coordinates","263835","2021-04-05","15:16:51",""
"7157867","9.0455","0.0005","12.1947","0.0006","13.2917","0.0007","101.367","0.004","90.571","0.004","109.919","0.005","1346.68","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 N2 O2 Se -","- C15 H14 N2 O2 Se -","- C60 H56 N8 O8 Se4 -","4","2","","Kumar, Manish; Chhillar, Babli; Yadav, Manisha; Sagar, Poonam; Singhal, Nitin K.; Gates, Paul J.; Butcher, Ray J.; Singh, Vijay P.","Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects.","Organic & biomolecular chemistry","2021","19","9","2015","2022","10.1039/d0ob02368j","","","0.71073","MoKα","","0.1014","0.0888","","","0.2418","0.2492","","","","","","1.062","","","","has coordinates","263840","2021-04-05","15:18:17",""
"7157868","8.9364","0.0003","10.9906","0.0003","12.2832","0.0003","74.382","0.002","74.161","0.003","69.175","0.003","1064.71","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-5-((4-methoxyphenyl)thio)-4-phenylnicotinonitrile","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0391","0.039","","","0.1043","0.1044","","","","","","1.035","","","","has coordinates","263839","2021-04-05","15:17:29",""
"7157869","5.8187","0.0002","23.8383","0.0006","13.7274","0.0003","90","","97.246","0.002","90","","1888.89","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(benzylamino)-4,5-diphenylnicotinonitrile","","- C25 H19 N3 -","- C25 H19 N3 -","- C100 H76 N12 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0536","0.0507","","","0.1488","0.152","","","","","","1.116","","","","has coordinates","263839","2021-04-05","15:17:39",""
"7157870","11.3651","0.0002","11.1837","0.0002","23.1292","0.0004","90","","90","","90","","2939.81","0.09","100","0.1","100","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2'-(benzylamino)-[3,4'-bipyridine]-3'-carbonitrile","","- C18 H14 N4 -","- C18 H14 N4 -","- C144 H112 N32 -","8","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0432","0.042","","","0.1121","0.1133","","","","","","1.027","","","","has coordinates","263839","2021-04-05","15:17:43",""
"7157871","7.6769","0.0002","12.7598","0.0004","13.4914","0.0003","77.32","0.002","82.364","0.002","74.894","0.003","1240.75","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","2-(benzylamino)-5-chloro-4-methylnicotinonitrile","","- C28 H24 Cl2 N6 -","- C28 H24 Cl2 N6 -","- C56 H48 Cl4 N12 -","2","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0398","0.0385","","","0.104","0.1053","","","","","","1.024","","","","has coordinates","263839","2021-04-05","15:17:55",""
"7157872","5.3363","0.0001","11.5026","0.0002","25.9164","0.0005","94.122","0.002","94.41","0.002","102.197","0.002","1543.92","0.05","99.96","0.12","99.96","0.12","","","","","","","","5","P -1","-P 1","2","","2-(benzylamino)-4-methyl-5-((2,2,2-trifluoroethyl)thio)nicotinonitrile","","- C16 H14 F3 N3 S -","- C16 H14 F3 N3 S -","- C64 H56 F12 N12 S4 -","4","2","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0621","0.0605","","","0.166","0.1684","","","","","","1.021","","","","has coordinates","263839","2021-04-05","15:17:58",""
"7157873","14.1835","0.0002","24.2903","0.0004","6.0587","0.0001","90","","92.304","0.001","90","","2085.66","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-((4-methoxyphenyl)thio)-4-(4-nitrophenyl)-2-(propylamino)nicotinonitrile","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler","Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.","Organic & biomolecular chemistry","2021","19","9","1991","1999","10.1039/d0ob02591g","","x-ray","1.54184","CuKα","","0.0405","0.038","","","0.1059","0.1077","","","","","","1.075","","","","has coordinates","263839","2021-04-05","15:18:08",""
"7157874","8.9145","0.0007","9.9325","0.0008","10.1186","0.0008","87.116","0.006","69.183","0.007","70.272","0.007","785.82","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br N O2 -","- C18 H16 Br N O2 -","- C36 H32 Br2 N2 O4 -","2","1","","Wang, Yu-Chao; Huang, Keke; Lai, Xiaojing; Shi, Zhongning; Liu, Jin-Biao; Qiu, Guanyinsheng","Radical bromination-induced <i>ipso</i> cyclization-<i>ortho</i> cyclization sequence of <i>N</i>-hydroxylethyl-<i>N</i>-arylpropiolamides.","Organic & biomolecular chemistry","2021","19","9","1940","1944","10.1039/d1ob00010a","","","0.71073","MoKα","","0.1027","0.0644","","","0.1384","0.158","","","","","","1.082","","","","has coordinates","263834","2021-04-05","15:16:45",""
"7157875","10.6472","0.0002","32.4978","0.0006","11.2031","0.0002","90","","100.67","0.002","90","","3809.37","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C152 H184 N8 O24 S8 -","8","2","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","x-ray","1.54184","CuKα","","0.0629","0.0489","","","0.1388","0.155","","","","","","1.02","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157876","12.8604","0.00016","17.5424","0.0003","28.9789","0.0004","90","","90","","90","","6537.71","0.17","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H36 N2 O5 S2 -","- C34 H36 N2 O5 S2 -","- C272 H288 N16 O40 S16 -","8","1","","Gao, Erhui; Peng, Cheng; Zhang, Jingyi; Wang, Xiao-Na; Chang, Junbiao","Metal-free hydroalkoxylation of ynesulfonamides with esters.","Organic & biomolecular chemistry","2021","19","10","2182","2185","10.1039/d0ob02575e","","","1.54184","CuKα","","0.0594","0.0483","","","0.1315","0.1424","","","","","","1.054","","","","has coordinates","263823","2021-04-05","15:14:54",""
"7157877","27.115","0.0007","11.5861","0.0003","18.6719","0.0005","90","","105.101","0.001","90","","5663.3","0.3","193","2","193.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H22 B F2 N5 O -","- C37 H22 B F2 N5 O -","- C296 H176 B8 F16 N40 O8 -","8","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","1.34139","GaKα","","0.0579","0.0399","","","0.092","0.1016","","","","","","1.035","","","","has coordinates","263837","2021-04-05","15:17:07",""
"7157878","8.939","0.008","9.493","0.008","17.408","0.016","88.857","0.013","84.196","0.014","88.477","0.012","1469","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 B F2 N5 O -","- C39 H22 B F2 N5 O -","- C78 H44 B2 F4 N10 O2 -","2","1","","Liu, Hui; Xue, Jiaying; Wang, Sisi; Wu, Fan; Zhao, Yue; Shen, Zhen","Thermal switches between delayed fluorescence and persistent phosphorescence based on a keto-BODIPY electron acceptor.","Organic & biomolecular chemistry","2021","19","9","2030","2037","10.1039/d0ob02390f","","","0.71073","MoKα","","0.1448","0.0621","","","0.1534","0.2032","","","","","","0.957","","","","has coordinates","263837","2021-04-05","15:17:07",""
"7157879","11.427","0.001","10.282","0.0009","13.6992","0.0012","90","","99.468","0.003","90","","1587.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 B O2 S -","- C18 H19 B O2 S -","- C72 H76 B4 O8 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.06","0.0414","","","0.1119","0.1297","","","","","","1.067","","","","has coordinates","263836","2021-04-05","15:16:59",""
"7157880","8.626","0.0005","9.2018","0.0005","22.6467","0.0011","90","","90","","90","","1797.58","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S2 -","- C19 H23 N O S2 -","- C76 H92 N4 O4 S8 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0475","0.0392","","","0.0849","0.0894","","","","","","1.056","","","","has coordinates,has disorder","263836","2021-04-05","15:17:00",""
"7157881","6.0539","0.0008","21.767","0.003","8.6784","0.0012","90","","97.314","0.005","90","","1134.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O S -","- C15 H12 O S -","- C60 H48 O4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0648","0.0479","","","0.1068","0.1146","","","","","","1.068","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157882","7.6092","0.0014","3.8618","0.0007","32.437","0.007","90","","96.374","0.008","90","","947.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 N S -","- C13 H7 N S -","- C52 H28 N4 S4 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0491","0.0448","","","0.1131","0.1159","","","","","","1.126","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157883","8.2143","0.0004","8.2225","0.0005","35.165","0.002","89.531","0.002","89.289","0.002","78.488","0.002","2327.1","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H28 F12 O4 S4 -","- C56 H28 F12 O4 S4 -","- C112 H56 F24 O8 S8 -","2","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0723","0.0498","","","0.1223","0.1373","","","","","","1.025","","","","has coordinates","263836","2021-04-05","15:17:00",""
"7157884","17.962","0.003","10.2398","0.0015","11.0654","0.0016","90","","93.763","0.006","90","","2030.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0878","0.0733","","","0.2118","0.2262","","","","","","1.082","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157885","9.4174","0.0005","10.5047","0.0005","11.707","0.0006","92.823","0.002","108.693","0.002","109.839","0.002","1015.58","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C52 H48 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0443","0.0361","","","0.0856","0.0909","","","","","","1.026","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157886","13.873","0.0007","22.7202","0.0012","6.3384","0.0003","90","","98.843","0.002","90","","1974.1","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0849","0.0716","","","0.1719","0.1787","","","","","","1.131","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157887","27.5645","0.0011","7.0521","0.0003","22.8442","0.001","90","","114.574","0.001","90","","4038.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F O4 -","- C26 H23 F O4 -","- C208 H184 F8 O32 -","8","1","","Chang, Meng-Yang; Tsai, Min-Chen","Synthesis of benzofused cyclobutaoxepanones <i>via</i> intramolecular annulation of <i>o</i>-cinnamyl chalcones.","Organic & biomolecular chemistry","2021","19","10","2254","2268","10.1039/d1ob00058f","","","0.71073","MoKα","","0.0412","0.0345","","","0.0835","0.0881","","","","","","1.031","","","","has coordinates","263822","2021-04-05","15:14:46",""
"7157888","9.6698","0.0008","13.6733","0.0012","15.2154","0.0012","107.614","0.004","91.299","0.004","93.979","0.004","1910.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","c-18b","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","2","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0582","0.0461","","","0.1124","0.1196","","","","","","1.051","","","","has coordinates","263824","2021-04-05","15:15:01",""
"7157889","8.443","0.003","7.818","0.003","29.113","0.011","90","","96.255","0.012","90","","1910.2","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7a*","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","","Marquès, Clàudia; Diaba, Faïza; Roca, Jaume; Bonjoch, Josep","Synthesis and reactivity of hydroindole enelactams leading to densely functionalized scaffolds.","Organic & biomolecular chemistry","2021","19","10","2284","2301","10.1039/d1ob00060h","","","0.71073","MoKα","","0.0654","0.047","","","0.1164","0.1356","","","","","","1.049","","","","has coordinates","263824","2021-04-05","15:15:01",""
"7157890","7.6249","0.0005","9.1227","0.0005","12.8047","0.0009","85.841","0.005","88.2","0.005","81.018","0.005","877.27","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 O6 S -","- C19 H12 O6 S -","- C38 H24 O12 S2 -","2","1","","Zhou, Wei; Tian, You-Ping; Zhou, Hao-Jie; Wang, Hui-Juan; Ren, Yan; Liu, Xiong-Li","Synthesis of methanesulfone-containing tetrasubstituted carbon stereocenters.","Organic & biomolecular chemistry","2021","19","10","2269","2276","10.1039/d1ob00071c","","x-ray","0.71073","MoKα","","0.0532","0.047","","","0.1165","0.1205","","","","","","1.097","","","","has coordinates","263820","2021-04-05","15:14:31",""
"7157891","9.5039","0.0012","8.281","0.002","24.124","0.008","90","","96.831","0.02","90","","1885.1","0.8","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 F6 N2 O S2 -","- C17 H16 F6 N2 O S2 -","- C68 H64 F24 N8 O4 S8 -","4","1","","Ellaby, Rebecca J.; Clark, Ewan R.; Allen, Nyasha; Taylor, Faith R.; Ng, Kendrick K. L.; Dimitrovski, Milan; Chu, Dominique F.; Mulvihill, Daniel P.; Hiscock, Jennifer R.","Identification of organophosphorus simulants for the development of next-generation detection technologies.","Organic & biomolecular chemistry","2021","19","9","2008","2014","10.1039/d0ob02523b","","x-ray","1.54184","CuKα","","0.1461","0.0709","","","0.1394","0.18","","","","","","0.981","","","","has coordinates,has disorder","263833","2021-04-05","15:16:40",""
"7157892","31.342","0.006","5.8152","0.0012","29.181","0.006","90","","115.2","0.03","90","","4812","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 -","- C30 H30 N2 -","- C240 H240 N16 -","8","2","","Liu, Anan; Ma, Dongge; Qian, Yuhang; Li, Jundan; Zhai, Shan; Wang, Yi; Chen, Chuncheng","A powerful azomethine ylide route mediated by TiO<sub>2</sub> photocatalysis for the preparation of polysubstituted imidazolidines.","Organic & biomolecular chemistry","2021","19","10","2192","2197","10.1039/d0ob02277b","","","0.71073","MoKα","","0.1324","0.1029","","","0.1467","0.1564","","","","","","1.287","","","","has coordinates","263821","2021-04-05","15:14:38",""
"7157893","14.183","0.018","7.331","0.009","14.82","0.02","90","","111.951","0.011","90","","1429","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Vankar, Jigarkumar K.; Gupta, Ankush; Jadav, Jaydeepbhai P.; Nanjegowda, Shankara H.; Gururaja, Guddeangadi N.","The thioamidation of gem-dibromoalkenes in an aqueous medium.","Organic & biomolecular chemistry","2021","19","11","2473","2480","10.1039/d0ob02319a","","","0.71075","MoKα","","0.1002","0.0679","","","0.1725","0.1974","","","","","","1.069","","","","has coordinates","263850","2021-04-05","15:19:20",""
"7157894","8.6212","0.0009","11.7654","0.0012","12.0329","0.0012","90","","100.743","0.005","90","","1199.1","0.2","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 Cl N O2 -","- C28 H26 Cl N O2 -","- C56 H52 Cl2 N2 O4 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0861","0.0511","","","0.1545","0.1678","","","","","","1.059","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157895","11.768","0.003","8.713","0.004","12.22","0.004","90","","96.67","0.02","90","","1244.5","0.8","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H29 N O3 -","- C29 H29 N O3 -","- C58 H58 N2 O6 -","2","1","","Zhao, Ling; Li, Guanlin; He, Rui; Liu, Penglin; Wang, Feijun; Huo, Xiaohong; Zhao, Min; Zhang, Wanbin","Stereodivergent Pd/Cu catalysis: asymmetric alkylation of racemic symmetrical 1,3-diphenyl allyl acetates.","Organic & biomolecular chemistry","2021","19","9","1955","1959","10.1039/d0ob02499f","","","1.54178","CuKα","","0.0467","0.0415","","","0.1152","0.1222","","","","","","1.046","","","","has coordinates","263838","2021-04-05","15:17:15",""
"7157896","14.0371","0.0004","18.7861","0.0004","13.4704","0.0003","90","","113.45","0.003","90","","3258.79","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br Cl2 N3 O2 -","- C37 H32 Br Cl2 N3 O2 -","- C148 H128 Br4 Cl8 N12 O8 -","4","1","","Li, Chunmei; Yang, Xiaopeng; Zhang, Furen; Qi, Chenze; Shen, Zhenlu","Simple and efficient one-pot multi-step strategy for the synthesis of 2-substituted (1,2,5-triarylpyrrolo[3,2-c]pyridin-3-yl)-N-arylacetamide derivatives in water.","Organic & biomolecular chemistry","2021","19","11","2526","2532","10.1039/d1ob00190f","","x-ray","1.54184","CuKα","","0.0653","0.0604","","","0.177","0.1867","","","","","","1.085","","","","has coordinates","263842","2021-04-05","15:18:30",""
"7157897","15.0149","0.0011","6.9413","0.0005","28.0824","0.0018","90","","102.467","0.002","90","","2857.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 Cl N3 O2 S -","- C27 H24 Cl N3 O2 S -","- C108 H96 Cl4 N12 O8 S4 -","4","1","","Jin, Shengnan; Chen, Fan; Qian, Pengcheng; Cheng, Jiang","Cyanoalkylation/alkynylation of allylic alcohol through intramolecular radical 1,2-alkynyl migration.","Organic & biomolecular chemistry","2021","19","11","2416","2419","10.1039/d1ob00192b","","","0.71073","MoKα","","0.0702","0.0447","","","0.1113","0.1232","","","","","","1.004","","","","has coordinates","263846","2021-04-05","15:18:53",""
"7157898","10.0012","0.0008","22.074","0.002","10.7284","0.001","90","","90.349","0.003","90","","2368.4","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Chen, Zhuo; Nie, Xiao-Di; Sun, Jian-Ting; Yang, Ai-Mei; Wei, Bang-Guo","Zn(OTf)<sub>2</sub>-catalyzed hydroamination of ynamides with aromatic amines.","Organic & biomolecular chemistry","2021","19","11","2492","2501","10.1039/d0ob02603d","","","0.71073","MoKα","","0.0994","0.0608","","","0.1143","0.1316","","","","","","1.118","","","","has coordinates","263851","2021-04-05","15:19:25",""
"7157899","11.592","0.003","7.715","0.0015","19.848","0.005","90","","105.237","0.007","90","","1712.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1303","0.0817","","","0.196","0.2347","","","","","","0.96","","","","has coordinates","263845","2021-04-05","15:18:47",""
"7157900","7.8318","0.001","10.2797","0.0013","21.689","0.003","90","","98.47","0.006","90","","1727.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N3 O4 P -","- C17 H20 N3 O4 P -","- C68 H80 N12 O16 P4 -","4","1","","Teixeira, Fátima C; Lucas, Carla; Curto, M João M; André, Vânia; Duarte, M. Teresa; Teixeira, António P S","Synthesis of novel pyrazolo[3,4-b]quinolinebisphosphonic acids and an unexpected intramolecular cyclization and phosphonylation reaction.","Organic & biomolecular chemistry","2021","19","11","2533","2545","10.1039/d1ob00025j","","","0.71073","MoKα","","0.1096","0.0825","","","0.2171","0.2458","","","","","","1.04","","","","has coordinates","263845","2021-04-05","15:18:47",""
"7157901","7.40072","0.00018","9.1371","0.0003","18.7024","0.0006","90","","90","","90","","1264.68","0.07","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F N O5 -","- C13 H14 F N O5 -","- C52 H56 F4 N4 O20 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0449","0.0371","","","0.0779","0.0825","","","","","","1.202","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157902","6.781","0.003","22.97","0.009","8.2131","0.0019","90","","91.101","0.019","90","","1279","0.8","170","0.2","170","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 F N2 O6 -","- C12 H11 F N2 O6 -","- C48 H44 F4 N8 O24 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0883","0.0746","","","0.1915","0.2043","","","","","","1.07","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157903","12.4119","0.0004","4.1382","0.0001","18.5166","0.0006","90","","94.868","0.003","90","","947.64","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 I O3 -","- C9 H6 I O3 -","- C36 H24 I4 O12 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0309","0.0218","","","0.0472","0.0508","","","","","","1.062","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157904","8.9812","0.0003","10.2319","0.0003","22.2899","0.0006","90","","96.794","0.003","90","","2033.94","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 I N O4 -","- C23 H18 I N O4 -","- C92 H72 I4 N4 O16 -","4","1","","Shimbo, Daisuke; Maruyama, Toshifumi; Tada, Norihiro; Itoh, Akichika","N-Alkenylation of hydroxamic acid derivatives with ethynyl benziodoxolone to synthesize cis-enamides through vinyl benziodoxolones.","Organic & biomolecular chemistry","2021","19","11","2442","2447","10.1039/d1ob00055a","","","0.71073","MoKα","","0.0301","0.0247","","","0.075","0.0783","","","","","","1.154","","","","has coordinates","263843","2021-04-05","15:18:35",""
"7157905","8.7105","0.0006","9.787","0.0007","10.2324","0.0012","107.954","0.007","100.92","0.007","104.829","0.005","767.28","0.13","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C23 H16 -","- C23 H16 -","- C46 H32 -","2","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.1172","0.0606","","","0.1672","0.1977","","","","","","1.031","","","","has coordinates","263841","2021-04-05","15:18:24",""
"7157906","9.8016","0.0006","12.5556","0.0007","14.0526","0.0008","90","","108.162","0.003","90","","1643.22","0.17","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Sahu, Archana K.; Unnava, Ramanjaneyulu; Behera, Bipin K.; Saikia, Anil K.","Synthesis of dibenzocyclohepta[1,2-a]naphthalene derivatives from phenylacetaldehyde and alkynyl benzyl alcohols via sequential electrophilic addition and double Friedel-Crafts reactions.","Organic & biomolecular chemistry","2021","19","11","2430","2435","10.1039/d1ob00057h","","","0.71073","MoKα","","0.0715","0.0517","","","0.1455","0.1611","","","","","","1.074","","","","has coordinates","263841","2021-04-05","15:18:24",""
"7157907","10.6922","0.0006","8.9341","0.0008","17.5905","0.0013","90","","98.505","0.006","90","","1661.9","0.2","99.9","0.4","99.9","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Br N2 O S -","- C18 H15 Br N2 O S -","- C72 H60 Br4 N8 O4 S4 -","4","1","","Gu, Qingyun; Wang, Qiyang; Dai, Wenjing; Wang, Xin; Ban, Yingguo; Liu, Tianqing; Zhao, Yu; Zhang, Yanan; Ling, Yong; Zeng, Xiaobao","K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-mediated regio- and stereo-selective thiocyanation of enamides with NH<sub>4</sub>SCN.","Organic & biomolecular chemistry","2021","19","11","2512","2516","10.1039/d1ob00156f","","x-ray","0.71073","MoKα","","0.0607","0.0482","","","0.1103","0.1207","","","","","","1.072","","","","has coordinates","263847","2021-04-05","15:18:58",""
"7157908","10.721","0.0007","14.6163","0.0011","12.7288","0.0011","90","","97.406","0.007","90","","1978","0.3","299","0.1","299","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 N4 O4 -","- C20 H18 Cl2 N4 O4 -","- C80 H72 Cl8 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","","0.71073","MoKα","","0.1107","0.0599","","","0.1393","0.1726","","","","","","1.027","","","","has coordinates","263856","2021-04-05","15:20:16",""
"7157909","16.9129","0.0003","16.433","0.0002","8.5648","0.0002","90","","104.382","0.002","90","","2305.81","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8''-chloro-6'',9''-dimethoxy-8-(trifluoromethyl)-[7,7''-bipyrido[1,2-a]benzimidazole]-6,9-dione","","- C25 H22 Cl F3 N4 O4 -","- C25 H22 Cl F3 N4 O4 -","- C100 H88 Cl4 F12 N16 O16 -","4","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0428","0.0378","","","0.097","0.1019","","","","","","1.055","","","","has coordinates","263856","2021-04-05","15:20:16",""
"7157910","23.3635","0.0002","9.5879","0.0001","17.6817","0.0002","90","","90","","90","","3960.82","0.07","150","","150","","","","","","","","","5","P b c n","-P 2n 2ab","60","","7''-bromo-5'',8''-dimethoxy-[6,6''-bipyrrolo[1,2-a]benzimidazole]-5,8-dione","","- C22 H19 Br N4 O4 -","- C22 H19 Br N4 O4 -","- C176 H152 Br8 N32 O32 -","8","1","","Conboy, Darren; Kielty, Patrick; Bear, Joseph C.; Cockcroft, Jeremy K.; Farràs, Pau; McArdle, Patrick; Singer, Richard J.; Smith, Dennis A.; Aldabbagh, Fawaz","Ring-fused dimethoxybenzimidazole-benzimidazolequinone (DMBBQ): tunable halogenation and quinone formation using NaX/Oxone.","Organic & biomolecular chemistry","2021","19","12","2716","2724","10.1039/d1ob00032b","","x-ray","1.54184","CuKα","","0.0434","0.0431","","","0.1161","0.1163","","","","","","1.153","","","","has coordinates,has disorder","263856","2021-04-05","15:20:16",""
"7157911","3.7961","0.0001","7.4931","0.0003","22.9246","0.0009","90","","99.5201","0.0013","90","","643.1","0.04","170","2","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N2 O -","- C7 H6 N2 O -","- C28 H24 N8 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0688","0.0574","","","0.1432","0.153","","","","","","1.121","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157912","8.9692","0.0001","18.2082","0.0002","9.2058","0.0001","90","","106.444","0.0007","90","","1441.93","0.03","170","0.1","170","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Cl N3 O2 -","- C12 H22 Cl N3 O2 -","- C48 H88 Cl4 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0485","0.04","","","0.0936","0.0977","","","","","","1.031","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157913","20.1831","0.0003","7.18245","0.00012","30.464","0.0005","90","","102.664","0.0017","90","","4308.76","0.12","123","0.1","123","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H31 Cl N6 O6 -","- C18 H31 Cl N6 O6 -","- C144 H248 Cl8 N48 O48 -","8","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.0664","0.062","","","0.183","0.1899","","","","","","1.05","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157914","8.5903","0.0002","14.7776","0.0004","15.1797","0.0004","87.837","0.002","73.679","0.002","82.1","0.002","1831.77","0.08","223","0.1","223","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C56 H92 Cl4 N24 O16 -","4","2","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.046","0.0445","","","0.1209","0.1231","","","","","","1.042","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157915","9.3183","0.0007","9.8382","0.0007","11.2711","0.0008","78.16","0.006","78.258","0.006","73.277","0.006","956.95","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H25 N3 O8 S2 -","- C13 H25 N3 O8 S2 -","- C26 H50 N6 O16 S4 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0505","0.0425","","","0.1101","0.116","","","","","","1.04","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157916","4.4199","0.0003","11.7058","0.0006","20.2357","0.0015","90","","93.014","0.006","90","","1045.52","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl2 N3 O -","- C7 H11 Cl2 N3 O -","- C28 H44 Cl8 N12 O4 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0472","0.0376","","","0.0908","0.0966","","","","","","1.066","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157917","6.7656","0.0002","9.4132","0.0002","10.2539","0.0002","108.309","0.0011","96.718","0.0011","102.189","0.001","594.05","0.03","170","0.1","170","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C9 H16 Cl N3 O3 -","- C9 H16 Cl N3 O3 -","- C18 H32 Cl2 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0497","0.0404","","","0.0979","0.1038","","","","","","1.054","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157918","6.577","0.0002","10.7154","0.0003","15.0191","0.0004","90","","90","","90","","1058.47","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0435","0.0417","","","0.1072","0.109","","","","","","1.052","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157919","10.14","0.0008","4.0229","0.0004","10.8744","0.0012","90","","98.89","0.007","90","","438.26","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H13 N3 O3 -","- C7 H13 N3 O3 -","- C14 H26 N6 O6 -","2","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0998","0.063","","","0.1466","0.1688","","","","","","1.058","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157920","4.3443","0.0004","14.5191","0.0009","15.9472","0.0015","90","","113.446","0.011","90","","922.83","0.15","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl N6 O4 -","- C14 H23 Cl N6 O4 -","- C28 H46 Cl2 N12 O8 -","2","0.5","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0635","0.044","","","0.0975","0.1095","","","","","","1.028","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157921","14.7267","0.0007","36.335","0.0018","7.3619","0.0004","90","","90.269","0.004","90","","3939.3","0.3","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19.669 N3 O5.735 -","- C9 H19.6693 N3 O5.73467 -","- C108 H236.032 N36 O68.816 -","12","3","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","x-ray","1.54184","CuKα","","0.1146","0.0889","","","0.2339","0.2503","","","","","","1.112","","","","has coordinates,has disorder","263857","2021-04-05","15:20:30",""
"7157922","7.972","0.003","9.389","0.003","13.279","0.005","85.406","0.017","84.165","0.019","67.62","0.018","913.4","0.6","170","2","170","","","","","","","","","4","P -1","-P 1","2","","(4-Chlorophenyl)(3,5-diphenylcyclopent-2-en-1-yl)methanone","","- C24 H19 Cl O -","- C24 H19 Cl O -","- C48 H38 Cl2 O2 -","2","1","","Li, Ya-Qiong; Xu, Guo-Dong; Huang, Zhi-Zhen","An organophosphorus-mediated cross-Rauhut-Currier/Wittig domino reaction for the efficient synthesis of trisubstituted cyclopentenes.","Organic & biomolecular chemistry","2021","19","11","2487","2491","10.1039/d1ob00150g","","","0.71073","MoKα","","0.0413","0.0372","","","0.094","0.0972","","","","","","1.047","","","","has coordinates","263849","2021-04-05","15:19:15",""
"7157923","5.2488","0.0002","7.5956","0.0003","33.4224","0.0012","90","","90","","90","","1332.48","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Liang, Leilei; Li, Ji; Shen, Baochun; Zhang, Yili; Liu, Jianping; Chen, Jingbo; Liu, Dandan","The effect of carbonyl on the isomerization of a galanthan ring system and total synthesis of (±)-β-lycorane.","Organic & biomolecular chemistry","2021","19","12","2767","2772","10.1039/d0ob02398a","","","1.54178","CuKα","","0.0282","0.0278","","","0.0734","0.0737","","","","","","1.057","","","","has coordinates","263853","2021-04-05","15:19:42",""
"7157924","11.4303","0.0007","23.178","0.0016","10.3616","0.0008","90","","91.78","0.006","90","","2743.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C128 H112 N16 O8 -","8","2","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","0.71073","MoKα","","0.0857","0.0728","","","0.2014","0.2095","","","","","","1.107","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157925","15.2387","0.0004","10.3818","0.0004","9.6545","0.0003","90","","90","","90","","1527.39","0.09","150","0.1","150","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","0.5","","Han, Xiao-Dan; Peng, Gao-Liang; Wang, Hui-Bin; Wu, Lei; Fu, Jian-Ping; Tang, Zhong-Sheng; Hu, Ju-Wu; Xiong, Wei","Novel synthesis of fused spiro piperidone-cyclopropanes from cyclopropyl amides and electron-deficient alkenes.","Organic & biomolecular chemistry","2021","19","14","3191","3198","10.1039/d1ob00214g","","x-ray","1.54184","CuKα","","0.0724","0.0692","","","0.164","0.1658","","","","","","1.163","","","","has coordinates","264951","2021-05-05","09:03:55",""
"7157926","7.18","0.003","8.862","0.004","12.266","0.006","84.056","0.017","84.296","0.015","84.884","0.014","770","0.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O6 -","- C17 H17 N O6 -","- C34 H34 N2 O12 -","2","1","","Meng, Ling; Chang, Xiaoyong; Lin, Zhenyang; Wang, Jun Joelle","Metal-free access to 3-allyl-2-alkoxychromanones via phosphine-catalyzed alkoxy allylation of chromones with MBH carbonates and alcohols.","Organic & biomolecular chemistry","2021","19","12","2663","2667","10.1039/d1ob00215e","","x-ray","0.71073","MoKα","","0.0526","0.0384","","","0.0929","0.0994","","","","","","1.034","","","","has coordinates","263852","2021-04-05","15:19:30",""
"7157927","10.3731","0.0001","6.7217","0.0001","16.666","0.0002","90","","90","","90","","1162.03","0.02","150","2","150.01","0.1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C15 H16 O -","- C15 H16 O -","- C60 H64 O4 -","4","0.5","","Williams, Georgia E.; Kociok-Köhn, Gabriele; James, Tony D.; Lewis, Simon E.","C4-aldehyde of guaiazulene: synthesis and derivatisation.","Organic & biomolecular chemistry","2021","19","11","2502","2511","10.1039/d0ob02567d","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1183","0.1197","","","","","","1.063","","","","has coordinates","263844","2021-04-05","15:18:40",""
"7157928","8.8254","0.0015","9.1172","0.0014","16.392","0.002","94.438","0.012","90.27","0.013","111.705","0.013","1221","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 Br Cl N3 O3 -","- C27 H21 Br Cl N3 O3 -","- C54 H42 Br2 Cl2 N6 O6 -","2","1","","Teimouri, Mohammad Bagher; Mokhtare, Zahra; Khavasi, Hamid Reza","Uncatalyzed diastereoselective synthesis of alkyliminofurochromone-derived benzylmalononitriles via a three-component cascade reaction: competition between Diels-Alder cycloaddition and Michael addition.","Organic & biomolecular chemistry","2021","19","11","2517","2525","10.1039/d0ob02540b","","","0.71073","MoKα","","0.1894","0.0689","","","0.1368","0.1652","","","","","","0.816","","","","has coordinates","263848","2021-04-05","15:19:03",""
"7157929","11.5777","0.0016","12.8278","0.0018","15.3442","0.0019","77.929","0.005","76.867","0.005","88.501","0.005","2169.6","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N4 O -","- C23 H27 Br N4 O -","- C92 H108 Br4 N16 O4 -","4","2","","Wen, Li-Rong; Wang, Ning-Ning; Du, Wu-Bo; Ma, Qiang; Zhang, Lin-Bao; Li, Ming","Nickel-promoted oxidative domino C<sub>sp3</sub>-H/N-H bond double-isocyanide insertion reaction to construct pyrrolin-2-ones.","Organic & biomolecular chemistry","2021","19","13","2895","2900","10.1039/d1ob00139f","","","0.71073","MoKα","","0.0616","0.0496","","","0.1054","0.1122","","","","","","1.089","","","","has coordinates","264948","2021-05-05","09:03:32",""
"7157930","6.7974","0.0012","13.92","0.002","9.9497","0.0018","90","","91.655","0.006","90","","941","0.3","300","2","300","2","","","","","","","","4","P 1 21 1","P 2yb","4","tk287","","","- C18 H19 N9 O2 -","- C18 H19 N9 O2 -","- C36 H38 N18 O4 -","2","1","","Kösel, Teresa; Dräger, Gerald; Kirschning, Andreas","Oxidative azidations of phenols and ketones using iodine azide after release from an ion exchange resin.","Organic & biomolecular chemistry","2021","19","13","2907","2911","10.1039/d1ob00083g","","","0.71073","MoKα","","0.073","0.0486","","","0.1241","0.1413","","","","","","0.866","","","","has coordinates","264947","2021-05-05","09:03:26",""
"7157931","9.266","0.0002","11.4559","0.0003","12.8747","0.0004","90","","90","","90","","1366.65","0.06","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 B Cl2 N2 O -","- C15 H9 B Cl2 N2 O -","- C60 H36 B4 Cl8 N8 O4 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","x-ray","1.54184","CuKα","","0.0604","0.0532","","","0.1398","0.147","","","","","","1.069","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157932","7.2198","0.0004","8.3969","0.0005","19.8689","0.0009","90","","97.203","0.002","90","","1195.02","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 B Cl2 N2 -","- C13 H9 B Cl2 N2 -","- C52 H36 B4 Cl8 N8 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","","0.71073","MoKα","","0.0424","0.0344","","","0.0874","0.0928","","","","","","1.06","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157933","11.5825","0.0011","11.7312","0.0012","16.2936","0.0016","90","","110.128","0.004","90","","2078.7","0.4","173","2","173.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O3 S Se -","- C23 H21 N O3 S Se -","- C92 H84 N4 O12 S4 Se4 -","4","1","","Bian, Mixue; Hua, Jiawei; Ma, Tao; Xu, Jia; Cai, Chen; Yang, Zhao; Liu, Chengkou; He, Wei; Fang, Zheng; Guo, Kai","Continuous-flow electrosynthesis of selenium-substituted iminoisobenzofuran via oxidative cyclization of olefinic amides and diselenides.","Organic & biomolecular chemistry","2021","19","14","3207","3212","10.1039/d1ob00236h","","","1.34139","GaKα","","0.0374","0.0349","","","0.0924","0.0946","","","","","","1.077","","","","has coordinates","264954","2021-05-05","09:04:12",""
"7157934","12.135","0.002","13.466","0.003","13.797","0.003","105.34","0.03","97.89","0.03","112.09","0.03","1942.6","1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 Cl N5 O6 -","- C40 H43 Cl N5 O6 -","- C80 H86 Cl2 N10 O12 -","2","1","","Nazeri, Mohammad Taghi; Shaabani, Ahmad; Notash, Behrouz","Chemoselective synthesis of fully substituted pyrroles <i>via</i> a one-pot four-component isocyanide-based reaction.","Organic & biomolecular chemistry","2021","19","16","3722","3734","10.1039/d0ob02339f","","","0.71073","MoKα","","0.1532","0.0904","","","0.2467","0.2872","","","","","","1.017","","","","has coordinates","264945","2021-05-05","09:02:56",""
"7157935","8.1689","0.0002","30.7155","0.0007","16.3945","0.0004","90","","103.292","0.003","90","","4003.38","0.17","150","","150","","","","","","","","syntheszied","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I N O -","- C6 H8 I N O -","- C120 H160 I20 N20 O20 -","20","5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0444","0.0284","","0.0514","0.0441","0.0514","","","","","","0.9294","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157936","16.154","0.002","10.07","0.0015","14.0816","0.0017","90","","91.992","0.011","90","","2289.3","0.5","150","","150","","","","","","","","synthesized","5","C 1 2/m 1","-C 2y","12","","","","- C30 H28 B N O -","- C30 H28 B N O -","- C120 H112 B4 N4 O4 -","4","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.1626","0.1524","","0.2956","0.2933","0.2956","","","","","","1.0465","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157937","10.4429","0.0002","11.3851","0.0003","13.3448","0.0003","78.042","0.002","78.837","0.002","83.599","0.002","1518.6","0.06","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C29 H28 F12 N2 O3 P2 -","- C29 H28 F12 N2 O3 P2 -","- C58 H56 F24 N4 O6 P4 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.061","0.057","","0.1548","0.1519","0.1548","","","","","","0.9706","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157938","6.9715","0.0003","8.8109","0.0004","10.7517","0.0004","105.053","0.004","99.409","0.004","94.776","0.004","623.68","0.05","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C10 H12 F6 N O2 P -","- C10 H12 F6 N O2 P -","- C20 H24 F12 N2 O4 P2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0509","0.0415","","0.1016","0.0916","0.1016","","","","","","0.9338","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157939","7.5285","0.0003","17.4636","0.0005","6.872","0.0002","90","","99.35","0.003","90","","891.49","0.05","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 S -","- C20 H20 N2 O6 S -","- C40 H40 N4 O12 S2 -","2","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0552","0.0463","","0.119","0.1114","0.119","","","","","","0.9467","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157940","5.1792","0.0001","13.1666","0.0003","6.8217","0.0002","90","","97.057","0.002","90","","461.664","0.019","150","","150","","","","","","","","synthesized","5","P 1 21 1","P 2yb","4","","","","- C10 H10 Cl N O -","- C10 H10 Cl N O -","- C20 H20 Cl2 N2 O2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0411","0.0407","","0.1067","0.1061","0.1067","","","","","","0.9111","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157941","14.8499","0.0005","16.5325","0.0006","18.0268","0.0007","65.052","0.004","66.01","0.003","88.251","0.003","3612.6","0.3","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C64 H62 F24 N10 O4 P4 -","- C64 H62 F24 N10 O4 P4 -","- C128 H124 F48 N20 O8 P8 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0689","0.0646","","0.1874","0.1831","0.1874","","","","","","0.9718","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157942","44.058","0.012","8.6635","0.0003","24.582","0.007","90","","146.85","0.06","90","","5131","8","150","","150","","","","","","","","synthesized","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H23.5 Cl F6 N2.5 O2 P -","- C27 H23.5 Cl F6 N2.5 O2 P -","- C216 H188 Cl8 F48 N20 O16 P8 -","8","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0499","0.0464","","0.11","0.1066","0.11","","","","","","0.9409","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157943","7.5194","0.0004","9.483","0.0004","9.4934","0.0003","118.013","0.004","97.791","0.003","104.191","0.004","553.98","0.05","150","","150","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","- C26 H22 Br2 N2 O2 -","1","0.5","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.021","0.0209","","0.0549","0.0548","0.0549","","","","","","1.0434","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157944","23.425","0.0003","23.425","0.0003","18.7771","0.0005","90","","90","","90","","10303.6","0.3","150","","150","","","","","","","","synthesized","6","I 41/a :2","-I 4ad","88","","","","- C26 H21 F6 N2 O2 P -","- C26 H21 F6 N2 O2 P -","- C416 H336 F96 N32 O32 P16 -","16","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0402","0.0326","","0.0845","0.0763","0.0845","","","","","","0.9499","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157945","7.762","0.0016","8.726","0.0017","18.728","0.004","85.64","0.03","88.48","0.03","89.71","0.03","1264.3","0.5","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C28 H30 N2 O8 S -","- C28 H30 N2 O8 S -","- C56 H60 N4 O16 S2 -","2","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","Synchrotron","","0.16","0.1255","","0.2194","0.2038","0.2194","","","","","","0.9047","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157946","9.8904","0.0002","7.3341","0.0002","22.6009","0.0007","90","","97.141","0.003","90","","1626.69","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.71073","MoKα","","0.0247","0.0219","","0.0438","0.0428","0.0438","","","","","","0.9504","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157947","14.3441","0.0002","11.4367","0.0001","16.6982","0.0002","90","","90.8455","0.0011","90","","2739.03","0.06","150","","150","","","","","","","","synthesized","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F6 N3 O2 P -","- C28 H25 Br F6 N3 O2 P -","- C112 H100 Br4 F24 N12 O8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","1.54184","CuKα","","0.0357","0.0345","","0.0809","0.0805","0.0809","","","","","","0.9539","","","","has coordinates,has disorder","263854","2021-04-05","15:20:02",""
"7157948","6.294","0.003","26.438","0.002","7.67","0.004","90","","103.84","0.01","90","","1239.2","0.9","100","","100","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","1","","Goodwin, Rosemary J.; Blyth, Mitchell T.; Fung, Alfred K. K.; Smith, Leesa M.; Norcott, Philip L.; Tanovic, Sara; Coote, Michelle L.; White, Nicholas G.","Simple acyclic molecules containing a single charge-assisted O-H group can recognize anions in acetonitrile : water mixtures.","Organic & biomolecular chemistry","2021","19","12","2794","2803","10.1039/d1ob00282a","","","0.710918","synchrotron","","0.0366","0.0346","","0.0873","0.086","0.0873","","","","","","0.9964","","","","has coordinates","263854","2021-04-05","15:20:02",""
"7157949","17.86","0.003","8.4885","0.0004","14.325","0.002","90","","136.68","0.03","90","","1490","0.9","105.6","","105.6","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","","Wu, Qiuyue; Dong, Ziyang; Xu, Jiaxi; Yang, Zhanhui","Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights.","Organic & biomolecular chemistry","2021","19","14","3173","3180","10.1039/d1ob00116g","","","1.5418","CuKα","","0.0289","0.0287","","","0.0753","0.0755","","","","","","1.082","","","","has coordinates","264955","2021-05-05","09:04:16",""
"7157950","9.9245","0.0014","10.0171","0.0014","20.572","0.003","90","","93.914","0.013","90","","2040.4","0.5","293","2","293","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N2 -","- C26 H22 N2 -","- C104 H88 N8 -","4","2","","Shah, Chandan; Yadav, Pratik; Althagafi, Ismail; Nemaysh, Vishal; Shaw, Ranjay; Elagamy, Amr; Pratap, Ramendra","Base mediated synthesis of functionalized 2-(alkynyl)arylnitriles and their molecular docking study with aromatase receptor.","Organic & biomolecular chemistry","2021","19","15","3462","3468","10.1039/d1ob00165e","","","0.71073","MoKα","","0.2237","0.0891","","","0.1858","0.2684","","","","","","0.8972","","","","has coordinates","264961","2021-05-05","09:05:16",""
"7157951","8.2412","0.0003","17.5619","0.0006","18.482","0.0005","90","","99.566","0.001","90","","2637.73","0.15","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C49 H38 Cl2 F12 N2 O2 S4 Sb2 -","- C98 H76 Cl4 F24 N4 O4 S8 Sb4 -","2","0.5","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0286","0.0279","","","0.0842","0.085","","","","","","1.071","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157952","10.8928","0.001","26.053","0.002","7.3295","0.0005","90","","103.374","0.003","90","","2023.6","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F3 N O4 S3 -","- C20 H16 F3 N O4 S3 -","- C80 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0313","0.0288","","","0.0724","0.0743","","","","","","1.067","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157953","32.2922","0.0019","8.2812","0.0005","18.3803","0.0009","90","","111.542","0.002","90","","4571.9","0.5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O3 S2 -","- C26 H18 F3 N O3 S2 -","- C208 H144 F24 N8 O24 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0437","0.0387","","","0.0956","0.1003","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157954","7.7343","0.0009","11.6345","0.0013","25.586","0.002","90","","95.771","0.003","90","","2290.7","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 F3 N O4 S3 -","- C25 H16 F3 N O4 S3 -","- C100 H64 F12 N4 O16 S12 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0305","0.0294","","","0.0802","0.0811","","","","","","1.06","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157955","10.1835","0.0013","10.1873","0.0012","12.0324","0.0013","73.061","0.004","85.268","0.005","71.102","0.004","1129.7","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C54 H54 N6 O4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0432","0.0383","","","0.0961","0.1001","","","","","","1.038","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157956","8.5809","0.0008","9.1772","0.0007","10.4716","0.0009","103.021","0.004","93.915","0.004","96.53","0.003","794.44","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C40 H28 N4 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0382","0.0337","","","0.0836","0.0876","","","","","","1.062","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157957","24.1618","0.0013","8.143","0.0005","24.1637","0.0015","90","","99.543","0.002","90","","4688.4","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 N O S -","- C31 H25 N O S -","- C248 H200 N8 O8 S8 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0344","0.033","","","0.089","0.0903","","","","","","1.031","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157958","8.0241","0.0006","20.8105","0.0012","15.2442","0.0008","90","","105.143","0.002","90","","2457.2","0.3","100.01","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 F3 N O3 S2 -","- C28 H22 F3 N O3 S2 -","- C112 H88 F12 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0396","0.0336","","","0.0865","0.091","","","","","","1.046","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157959","9.8155","0.0006","16.0505","0.0014","29.742","0.002","90","","90","","90","","4685.7","0.6","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H18 F3 N O4 S2 -","- C26 H18 F3 N O4 S2 -","- C208 H144 F24 N8 O32 S16 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0449","0.0393","","","0.0796","0.083","","","","","","1.105","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157960","10.9164","0.0009","15.2555","0.0015","14.1703","0.0013","90","","99.893","0.004","90","","2324.8","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 F5 N O3 S2 -","- C26 H16 F5 N O3 S2 -","- C104 H64 F20 N4 O12 S8 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0456","0.0424","","","0.1041","0.1066","","","","","","1.094","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157961","12.89","0.003","17.696","0.004","9.0179","0.0016","90","","99.136","0.006","90","","2030.9","0.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0676","0.0517","","","0.1213","0.1291","","","","","","1.062","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157962","10.266","0.002","10.436","0.002","13.703","0.003","77.481","0.007","74.186","0.007","87.828","0.008","1378.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 F3 N O3 S2 -","- C32 H22 F3 N O3 S2 -","- C64 H44 F6 N2 O6 S4 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0541","0.0437","","","0.1036","0.1126","","","","","","1.073","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157963","6.149","0.002","16.882","0.005","19.24","0.006","90","","90","","90","","1997.3","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O S -","- C26 H21 N O S -","- C104 H84 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0386","0.0345","","","0.0804","0.0841","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157964","12.3013","0.0016","11.0116","0.0011","16.542","0.002","90","","100.472","0.004","90","","2203.4","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O3 S -","- C27 H25 N O3 S -","- C108 H100 N4 O12 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0346","0.0324","","","0.0869","0.089","","","","","","1.038","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157965","13.0989","0.0006","13.0989","0.0006","27.9396","0.001","90","","90","","90","","4793.9","0.4","100","","100","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C26 H18 F3 N O3 S3 -","- C26 H18 F3 N O3 S3 -","- C208 H144 F24 N8 O24 S24 -","8","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0559","0.0491","","","0.1256","0.1332","","","","","","1.043","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157966","12.066","0.005","11.422","0.005","16.283","0.007","90","","103.093","0.011","90","","2185.7","1.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C108 H92 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0961","0.0679","","","0.1777","0.2025","","","","","","1.092","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157967","9.6947","0.0003","10.8404","0.0003","12.192","0.0004","99.164","0.001","113.438","0.001","109.745","0.001","1040.54","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N O S -","- C27 H23 N O S -","- C54 H46 N2 O2 S2 -","2","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.037","0.0338","","","0.0919","0.0976","","","","","","1.052","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157968","11.0127","0.0008","18.919","0.002","17.186","0.002","90","","106.981","0.003","90","","3424.6","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 F3 N O4 S5 -","- C38 H26 F3 N O4 S5 -","- C152 H104 F12 N4 O16 S20 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0578","0.0465","","","0.1042","0.1109","","","","","","1.058","","","","has coordinates,has disorder","264946","2021-05-05","09:03:20",""
"7157969","14.7925","0.0018","10.7843","0.0013","13.5803","0.0017","90","","111.899","0.002","90","","2010.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N3 O2 -","- C25 H21 N3 O2 -","- C100 H84 N12 O8 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0491","0.0348","","","0.094","0.1018","","","","","","0.951","","","","has coordinates","264964","2021-05-05","09:05:34",""
"7157970","13.3305","0.0012","7.3656","0.0007","20.434","0.002","90","","94.098","0.002","90","","2001.2","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Br N2 O3 S -","- C23 H17 Br N2 O3 S -","- C92 H68 Br4 N8 O12 S4 -","4","1","","Liu, Qi; Wang, Lei; Liu, Jie; Ruan, Shuchen; Li, Pinhua","Facile synthesis of carbamoylated benzimidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-ones <i>via</i> radical cascade cyclization under metal-free conditions.","Organic & biomolecular chemistry","2021","19","15","3489","3496","10.1039/d1ob00101a","","","0.71073","MoKα","","0.0645","0.0402","","","0.0931","0.1005","","","","","","0.987","","","","has coordinates","264964","2021-05-05","09:05:34",""
"7157971","7.7555","0.0002","19.8449","0.0004","15.1282","0.0003","90","","102.239","0.002","90","","2275.42","0.09","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl F3 N O2 S -","- C26 H21 Cl F3 N O2 S -","- C104 H84 Cl4 F12 N4 O8 S4 -","4","1","","Chen, Tao; Wang, Aoning; Zhang, Linxue; Wei, Chenlong; Huang, Juhui; Liu, Xiang; Fu, Zhenqian","Formal [4 + 1] annulation of fluorinated sulfonium salt with cyclic unsaturated imines to access CF<sub>3</sub>-substituted pyrroles.","Organic & biomolecular chemistry","2021","19","14","3128","3133","10.1039/d1ob00218j","","x-ray","1.54184","CuKα","","0.0406","0.038","","","0.0968","0.0995","","","","","","1.038","","","","has coordinates","264950","2021-05-05","09:03:47",""
"7157972","12.1135","0.0002","20.9493","0.0004","10.1143","0.0002","90","","101.59","0.03","90","","2514.4","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","","Emmaniel Raju, Chittala; Kadiyala, Veerabhushanam; Sreenivasulu, Gottam; Kumar, Perla Bharath; Sridhar, Balasubramanian; Karunakar, Galla V.","Gold-catalyzed synthesis of 1<i>H</i>-isochromene-4-carbaldehydes <i>via</i> oxidative cascade cyclization.","Organic & biomolecular chemistry","2021","19","16","3634","3643","10.1039/d1ob00066g","","","0.71073","MoKα","","0.105","0.0662","","","0.168","0.1967","","","","","","1.027","","","","has coordinates","264944","2021-05-05","09:02:49",""
"7157973","15.2574","0.0002","8.055","0.0001","18.4264","0.0004","90","","96.396","0.002","90","","2250.48","0.06","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C55 H46 Cl2 N4 O4 -","- C55 H46 Cl2 N4 O4 -","- C110 H92 Cl4 N8 O8 -","2","1","","Wei, Ran; Gao, Li; Li, Gaihui; Tang, Li; Zhang, Guoshun; Zheng, Feilang; Song, Heng; Li, Qingshan; Ban, Shurong","Squaramide-catalysed asymmetric Friedel-Crafts alkylation of naphthol and unsaturated pyrazolones.","Organic & biomolecular chemistry","2021","19","15","3370","3373","10.1039/d1ob00347j","","","1.54178","CuKα","","0.0711","0.0613","","","0.1605","0.168","","","","","","1.082","","","","has coordinates","264962","2021-05-05","09:05:21",""
"7157974","12.4819","0.0003","5.4926","0.0002","25.2518","0.0007","90","","101.834","0.003","90","","1694.42","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C76 H68 Br4 N8 O12 -","4","1","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","1.54184","CuKα","","0.0374","0.0308","","","0.0772","0.0817","","","","","","1.047","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7157975","20.0555","0.001","7.4291","0.0005","23.0509","0.0012","90","","90","","90","","3434.5","0.3","100","0.1","100","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H15 I N2 O3 -","- C19 H15 I N2 O3 -","- C152 H120 I8 N16 O24 -","8","2","","Qiu, Shaotong; Cao, Tongxiang; Zhu, Shifa","Catalyst-free synthesis of isoxazolidine from nitrosoarene and haloalkyne via a 1,2-halo-migration/[3 + 2] cycloaddition cascade.","Organic & biomolecular chemistry","2021","19","14","3139","3143","10.1039/d1ob00421b","","x-ray","0.71073","MoKα","","0.0404","0.033","","","0.0638","0.0678","","","","","","1.026","","","","has coordinates","264952","2021-05-05","09:04:02",""
"7157976","14.282","0.0013","13.5704","0.0009","10.3175","0.0009","90","","110.86","0.002","90","","1868.6","0.3","287","2","287.55","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.1752","0.0701","","","0.1276","0.1598","","","","","","1.024","","","","has coordinates","264959","2021-05-05","09:04:46",""
"7157977","9.912","0.003","15.262","0.004","8.115","0.002","90","","98.518","0.01","90","","1214.1","0.6","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C48 H56 N8 O8 S4 -","4","1","","Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan","Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.","Organic & biomolecular chemistry","2021","19","15","3428","3433","10.1039/d1ob00255d","","","0.71073","MoKα","","0.0349","0.0312","","","0.0905","0.0946","","","","","","1.012","","","","has coordinates","264959","2021-05-05","09:04:52",""
"7157978","21.5473","0.0006","6.9275","0.0002","10.8993","0.0003","90","","90","","90","","1626.93","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl3 O3 -","- C17 H15 Cl3 O3 -","- C68 H60 Cl12 O12 -","4","0.5","","Nechaev, Anton A.; Jagtap, Pratap R.; BaŽíková, Ema; Neumannová, Johana; Císařová, Ivana; Matoušová, Eliška","Synthesis of fused 1,2-naphthoquinones with cytotoxic activity using a one-pot three-step reaction.","Organic & biomolecular chemistry","2021","19","15","3434","3440","10.1039/d1ob00205h","","","1.54178","CuKα","","0.0482","0.0475","","","0.1255","0.1259","","","","","","1.165","","","","has coordinates","264963","2021-05-05","09:05:27",""
"7157979","16.9185","0.001","9.5036","0.0006","18.6989","0.0012","90","","143.599","0.001","90","","1784.2","0.2","120","2","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cl2 F N2 O4 -","- C18 H15 Cl2 F N2 O4 -","- C72 H60 Cl8 F4 N8 O16 -","4","1","","Motornov, Vladimir A.; Tabolin, Andrey A.; Nelyubina, Yulia V.; Nenajdenko, Valentine G.; Ioffe, Sema L.","Copper-catalyzed [3 + 2]-cycloaddition of α-halonitroalkenes with azomethine ylides: facile synthesis of multisubstituted pyrrolidines and pyrroles.","Organic & biomolecular chemistry","2021","19","15","3413","3427","10.1039/d1ob00146a","","","0.71073","MoKα","","0.0441","0.0361","","","0.0835","0.0885","","","","","","1.058","","","","has coordinates","264956","2021-05-05","09:04:27",""
"7157980","18.9549","0.0016","8.4866","0.0007","24.972","0.002","90","","92.897","0.001","90","","4011.9","0.6","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C192 H168 N8 O24 S8 -","8","1","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.0568","0.0394","","","0.1077","0.1217","","","","","","1.047","","","","has coordinates","264958","2021-05-05","09:04:40",""
"7157981","19.956","0.003","8.6435","0.0012","24.548","0.003","90","","93.934","0.002","90","","4224.3","1","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3.85 H3.23 N0.15 O0.46 S0.15 -","- C3.84615 H3.07692 N0.153846 O0.461538 S0.153846 -","- C200 H160 N8 O24 S8 -","52","6.5","","Lei, Lu; Liang, Yu-Feng; Liang, Cui; Qin, Jiang-Ke; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper(I)-catalyzed [4 + 2] cycloaddition of aza-<i>ortho</i>-quinone methides with bicyclic alkenes.","Organic & biomolecular chemistry","2021","19","15","3379","3383","10.1039/d1ob00319d","","","0.71073","MoKα","","0.083","0.0527","","","0.1938","0.2374","","","","","","0.906","","","","has coordinates","264958","2021-05-05","09:04:40",""
"7157982","13.9206","0.0006","9.0995","0.0004","14.8399","0.0006","90","","116.476","0.001","90","","1682.63","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H64 F4 N4 O4 -","- C88 H64 F4 N4 O4 -","- C88 H64 F4 N4 O4 -","1","0.25","","Ali, Saghir; Khan, Abu T.","Copper(ii) triflate catalyzed three-component reaction for the synthesis of 2,3-diarylquinoline derivatives using aryl amines, aryl aldehydes and styrene oxides.","Organic & biomolecular chemistry","2021","19","14","3255","3262","10.1039/d1ob00125f","","","0.71073","MoKα","","0.0948","0.0593","","","0.1456","0.1805","","","","","","0.883","","","","has coordinates","264953","2021-05-05","09:04:07",""
"7157983","10.0105","0.0003","11.3092","0.0004","19.085","0.0007","85.671","0.003","78.534","0.003","67.01","0.003","1949.31","0.12","282.72","0.1","282.72","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H43 Cl2 N2 P Ru -","- C41 H43 Cl2 N2 P Ru -","- C82 H86 Cl4 N4 P2 Ru2 -","2","1","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0336","0.0301","","","0.0737","0.0759","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:09",""
"7157984","10.4412","0.0001","11.3932","0.0002","29.2341","0.0003","90","","90","","90","","3477.65","0.08","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C3.9 H3.79 Cl0.1 F0.62 N0.21 P0.21 Ru0.1 -","- C3.89744 H3.79487 Cl0.102564 F0.615385 N0.205128 P0.205128 Ru0.102564 -","- C152 H148 Cl4 F24 N8 P8 Ru4 -","39","9.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0329","0.0315","","","0.0823","0.0836","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157985","12.9079","0.0002","14.7545","0.0002","35.0697","0.0004","90","","95.042","0.001","90","","6653.17","0.16","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C H Cl F N P Ru -","- C4.25806 H4.51613 Cl0.129032 F0.387097 N0.258065 P0.193548 Ru0.129032 -","- C264 H280 Cl8 F24 N16 P12 Ru8 -","62","7.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0442","0.0416","","","0.11","0.1124","","","","","","1.065","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157986","9.2203","0.0003","15.9604","0.0005","13.5514","0.0004","90","","97.921","0.001","90","","1975.19","0.11","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl N2 S -","- C24 H17 Cl N2 S -","- C96 H68 Cl4 N8 S4 -","4","1","","Gupta, Prince Kumar; Yadav, Arvind Kumar; Sharma, Anup Kumar; Singh, Krishna Nand","Iodine-catalyzed thioallylation of indoles using Bunte salts prepared from Baylis-Hillman bromides.","Organic & biomolecular chemistry","2021","19","15","3484","3488","10.1039/d1ob00377a","","","0.71073","MoKα","","0.073","0.0511","","","0.0861","0.0953","","","","","","1.09","","","","has coordinates","264965","2021-05-05","09:05:39",""
"7157987","9.6907","0.0012","10.3979","0.001","11.4082","0.0013","88.986","0.009","65.263","0.011","80.064","0.009","1026.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Br N O3 S -","- C22 H18 Br N O3 S -","- C44 H36 Br2 N2 O6 S2 -","2","1","","Yang, Lei; Zhou, Shun; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Wei-Cheng","A cascade deprotonation/intramolecular aldol reaction of α-carbonyl sulfonium ylides with 2-mercaptoindole-3-carbaldehydes and 2-mercaptobenzaldehydes to access thieno[2,3-<i>b</i>]indoles and benzothiophenes.","Organic & biomolecular chemistry","2021","19","16","3678","3686","10.1039/d1ob00349f","","x-ray","1.54184","CuKα","","0.049","0.0401","","","0.1026","0.1104","","","","","","1.03","","","","has coordinates","264943","2021-05-05","09:02:44",""
"7157988","8.4413","0.0011","8.917","0.0013","9.0986","0.0011","95.122","0.005","107.332","0.005","113.574","0.004","581.96","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N2 O4 S -","- C11 H12 N2 O4 S -","- C22 H24 N4 O8 S2 -","2","1","","Liu, Xue; Wang, Jingjing; Wu, Ziyan; Li, Feng; Gao, Kexin; Peng, Fanyang; Wang, Junjie; Shen, Renzeng; Zhou, Yao; Liu, Lantao","An organophotoredox-catalyzed C(sp<sup>2</sup>)-N cross coupling reaction of cyclic aldimines with cyclic aliphatic amines.","Organic & biomolecular chemistry","2021","19","16","3595","3600","10.1039/d1ob00223f","","","0.71073","MoKα","","0.0421","0.0321","","","0.0832","0.0888","","","","","","1.048","","","","has coordinates","264941","2021-05-05","09:02:34",""
"7157989","6.7354","0.0001","18.2897","0.0002","19.0257","0.0002","90","","90","","90","","2343.75","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O4 S -","- C25 H19 Br N2 O4 S -","- C100 H76 Br4 N8 O16 S4 -","4","1","","Chang, Li; Zhu, Guang-Yu; Yang, Ting; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalytic asymmetric formal [3 + 2] cycloaddition reaction of isocyanoacetates with saccharin-derived 1-azadienes.","Organic & biomolecular chemistry","2021","19","16","3687","3697","10.1039/d1ob00115a","","x-ray","1.54184","CuKα","","0.0499","0.0488","","","0.1277","0.1286","","","","","","1.036","","","","has coordinates","264940","2021-05-05","09:02:29",""
"7157990","9.9842","0.0004","10.3171","0.0003","17.4171","0.0007","76.458","0.001","89.873","0.001","70.481","0.001","1638.32","0.11","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F3 O3 S -","- C17 H15 F3 O3 S -","- C68 H60 F12 O12 S4 -","4","2","","Sun, Tao; He, Shijun; Xu, Zhongliang; Zuo, Jianping; Yu, Yang; Yang, Weibo","Rh-Catalyzed C-H alkylation enabling modular synthesis of CF<sub>3</sub>-substituted benzannulated macrocyclic inhibitors of B cell responses.","Organic & biomolecular chemistry","2021","19","16","3589","3594","10.1039/d1ob00296a","","","0.71073","MoKα","","0.0899","0.0508","","","0.1388","0.1778","","","","","","1.049","","","","has coordinates","264942","2021-05-05","09:02:39",""
"7157991","17.663","0.006","7.822","0.003","29.714","0.01","90","","90","0.007","90","","4105","3","273.15","","273.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H42 N6 O4 S2 -","- C42 H42 N6 O4 S2 -","- C168 H168 N24 O16 S8 -","4","1","","Zhao, Yu; Li, Li; Zhou, Zitong; Chen, Man; Yang, Weiguang; Luo, Hui","Copper catalyzed five-component domino strategy for the synthesis of nicotinimidamides.","Organic & biomolecular chemistry","2021","19","17","3868","3872","10.1039/d1ob00162k","","","0.71073","MoKα","","0.1783","0.0958","","","0.2247","0.2679","","","","","","0.973","","","","has coordinates","266158","2021-06-05","19:27:14",""
"7157992","19.019","0.002","19.073","0.002","10.6129","0.0011","90","","95.402","0.006","90","","3832.7","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 N3 O2 S2 -","- C21 H17 N3 O2 S2 -","- C168 H136 N24 O16 S16 -","8","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.1024","0.0773","","","0.1814","0.1997","","","","","","1.084","","","","has coordinates","266156","2021-06-05","19:26:56",""
"7157993","7.1506","0.0002","10.5088","0.0003","15.9913","0.0004","102.89","0.001","98.917","0.001","106.16","0.001","1094.43","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N5 O4 S -","- C23 H23 N5 O4 S -","- C46 H46 N10 O8 S2 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.0441","0.0375","","","0.0885","0.0937","","","","","","1.037","","","","has coordinates","266156","2021-06-05","19:26:56",""
"7157994","13.8799","0.0008","14.913","0.0008","14.9991","0.0007","106.397","0.002","108.593","0.002","108.531","0.002","2523.1","0.2","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H37 Cl3 F9 N9 S3 -","- C49 H37 Cl3 F9 N9 S3 -","- C98 H74 Cl6 F18 N18 S6 -","2","1","","Wei, Yueting; Liu, Ping; Liu, Yali; He, Jing; Li, Xuezhen; Li, Shiwu; Zhao, Jixing","NIS-promoted three-component reaction of 3-oxo-3-arylpropanenitriles with arylsulfonyl hydrazides.","Organic & biomolecular chemistry","2021","19","17","3932","3939","10.1039/d1ob00438g","","","0.71073","MoKα","","0.085","0.0712","","","0.1744","0.1828","","","","","","1.106","","","","has coordinates,has disorder","266156","2021-06-05","19:26:56",""
"7157995","9.2271","0.0003","17.1809","0.0005","15.5673","0.0005","90","","103.803","0.001","90","","2396.61","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N O6 -","- C25 H35 N O6 -","- C100 H140 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0386","0.0365","","","0.0871","0.0888","","","","","","1.039","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157996","16.2391","0.0004","16.2391","0.0004","5.8098","0.0002","90","","90","","90","","1532.09","0.08","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0294","0.0287","","","0.0725","0.0732","","","","","","1.062","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157997","14.5546","0.0004","19.3096","0.0006","8.6608","0.0003","90","","94.446","0.001","90","","2426.74","0.13","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0289","0.0287","","","0.0877","0.0882","","","","","","0.829","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157998","15.3793","0.0004","19.2972","0.0005","8.5773","0.0002","90","","99.046","0.001","90","","2513.89","0.11","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C104 H148 N4 O28 -","4","1","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0305","0.0305","","","0.0941","0.0941","","","","","","0.911","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7157999","10.8932","0.0002","17.0966","0.0003","39.2989","0.0007","90","","90","","90","","7318.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0353","0.0328","","","0.0821","0.084","","","","","","1.023","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158000","10.5703","0.0002","18.2177","0.0004","13.5717","0.0003","90","","98.191","0.001","90","","2586.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","2","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0285","0.0282","","","0.0727","0.0731","","","","","","1.04","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158001","10.8971","0.0002","17.1101","0.0003","39.2778","0.0007","90","","90","","90","","7323.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0288","0.0282","","","0.075","0.0756","","","","","","1.032","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158002","9.847","0.0006","17.2006","0.0014","16.0137","0.0009","90","","106.046","0.006","90","","2606.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O4 S2 -","- C29 H24 N2 O4 S2 -","- C116 H96 N8 O16 S8 -","4","1","","Liu, Huahua; Wei, Li; Chen, Zhiyuan","One-pot multi-step cascade protocols toward β-indolyl sulfoximidoyl amides <i>via</i> intermolecular trapping of an α-indolylpalladium complex by CO.","Organic & biomolecular chemistry","2021","19","15","3359","3369","10.1039/d1ob00128k","","","0.71073","MoKα","","0.0484","0.0414","","","0.1127","0.1181","","","","","","1.003","","","","has coordinates","264957","2021-05-05","09:04:33",""
"7158003","9.7336","0.0005","9.4426","0.0005","12.9051","0.0008","90","","90","","90","","1186.11","0.11","173","2","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H11 Br Cl N O -","- C11 H11 Br Cl N O -","- C44 H44 Br4 Cl4 N4 O4 -","4","1","","Hu, Yuanyuan; Wang, Zhen; Luo, Honggen; Jin, Hongwei; Liu, Yunkui; Zhou, Bingwei","NHC-catalyzed Truce-Smiles rearrangement of <i>N</i>-aryl methacrylamides for the synthesis of <i>trans</i>-cinnamides.","Organic & biomolecular chemistry","2021","19","17","3834","3837","10.1039/d1ob00443c","","","1.34139","GaKα","","0.0283","0.0278","","","0.0697","0.0702","","","","","","1.044","","","","has coordinates","266153","2021-06-05","19:26:27",""
"7158004","9.2734","0.0002","12.5056","0.0003","22.5981","0.0007","90","","90","","90","","2620.69","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl N4 O4 -","- C26 H29 Cl N4 O4 -","- C104 H116 Cl4 N16 O16 -","4","1","","Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei","An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines.","Organic & biomolecular chemistry","2021","19","17","3820","3824","10.1039/d1ob00374g","","","1.54184","CuKα","","0.0522","0.0436","","","0.1121","0.1208","","","","","","1.037","","","","has coordinates","266157","2021-06-05","19:27:08",""
"7158006","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158007","6.251","0.0002","18.8202","0.0006","14.227","0.0005","90","","98.706","0.003","90","","1654.45","0.1","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","conjugated triene","","- C20 H22 N2 -","- C20 H22 N2 -","- C80 H88 N8 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","x-ray","0.71073","MoKα","","0.0836","0.0761","","","0.2068","0.2139","","","","","","1.082","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158008","5.712","0.0001","10.0398","0.0002","21.6602","0.0003","84.51","0.002","87.428","0.002","78.784","0.002","1212.4","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C62 H50 N2 O6 -","2","1","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0526","0.0451","","","0.1198","0.1258","","","","","","1.041","","","","has coordinates","266155","2021-06-05","19:26:48",""
"7158009","10.602","0.0003","11.2205","0.0003","13.0016","0.0002","95.41","0.002","112.439","0.002","115.598","0.003","1225.34","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21.33 H18 N0.67 O2 -","- C21.3333 H18 N0.666667 O2 -","- C64 H54 N2 O6 -","3","1.5","","Guranova, Natalia; Golubev, Pavel; Bakulina, Olga; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Unexpected formal [4 + 2]-cycloaddition of chalcone imines and homophthalic anhydrides: preparation of dihydropyridin-2(1<i>H</i>)-ones.","Organic & biomolecular chemistry","2021","19","17","3829","3833","10.1039/d1ob00534k","","","1.54184","CuKα","","0.0467","0.0414","","","0.1105","0.1142","","","","","","1.055","","","","has coordinates","266155","2021-06-05","19:26:48",""
"7158010","10.301","0.002","6.87","0.001","29.971","0.006","90","","97.272","0.003","90","","2103.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C108 H76 N4 O12 -","4","1","","Pirovano, Valentina; Brambilla, Elisa; Riva, Marika; Leoni, Sara; Rizzato, Silvia; Garanzini, Davide; Abbiati, Giorgio; Rossi, Elisabetta","Stereoselective synthesis of 2-spirocyclopropyl-indolin-3-ones through cyclopropanation of aza-aurones with tosylhydrazones.","Organic & biomolecular chemistry","2021","19","17","3925","3931","10.1039/d1ob00076d","","x-ray","0.71073","MoKα","","0.0842","0.0561","","","0.1359","0.1491","","","","","","1.042","","","","has coordinates","266154","2021-06-05","19:26:32",""
"7158011","14.1551","0.0003","9.5932","0.0003","13.369","0.0006","90","","90","","90","","1815.41","0.11","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H26 N2 -","- C23 H26 N2 -","- C92 H104 N8 -","4","0.5","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0671","0.0595","","","0.1793","0.186","","","","","","1.098","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158012","19.6128","0.0009","12.3072","0.0006","9.3607","0.0005","90","","90","","90","","2259.47","0.19","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0421","0.038","","","0.1015","0.1054","","","","","","1.047","","","","has coordinates,has disorder","266172","2021-06-05","19:29:17",""
"7158013","8.8647","0.0005","10.0294","0.0006","11.7597","0.0005","110.64","0.005","90.771","0.004","112.601","0.005","889.76","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 Cl2 N2 -","- C21 H20 Cl2 N2 -","- C42 H40 Cl4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0567","0.0486","","","0.1441","0.1501","","","","","","1.063","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158014","5.5415","0.0002","10.2343","0.0005","21.638","0.001","86.297","0.004","89.697","0.004","87.381","0.004","1223.32","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C66 H60 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0842","0.0648","","","0.1837","0.2001","","","","","","1.052","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158015","7.9071","0.0006","8.9267","0.0005","11.6792","0.0007","86.424","0.005","84.971","0.006","85.252","0.006","817.11","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 F2 N2 -","- C21 H20 F2 N2 -","- C42 H40 F4 N4 -","2","1","","Jin, Jiang; Li, Yinghua; Xiang, Shiqun; Fan, Weibin; Guo, Shiwei; Huang, Deguang","Selectfluor facilitated bridging of indoles to bis(indolyl)methanes using methyl <i>tert</i>-butyl ether as a new methylene precursor.","Organic & biomolecular chemistry","2021","19","18","4076","4081","10.1039/d1ob00120e","","","1.54184","CuKα","","0.0695","0.0605","","","0.1768","0.1855","","","","","","1.092","","","","has coordinates","266172","2021-06-05","19:29:17",""
"7158016","6.517","0.0004","10.4112","0.0007","15.8832","0.001","90","","97.934","0.002","90","","1067.36","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","14","Nordiamantane carboxylic acid","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Zonker, Benjamin; Becker, Jonathan; Hrdina, Radim","Synthesis of noradamantane derivatives by ring-contraction of the adamantane framework.","Organic & biomolecular chemistry","2021","19","18","4027","4031","10.1039/d1ob00471a","","","0.71073","MoKα","","0.0529","0.0424","","","0.1069","0.1145","","","","","","1.051","","","","has coordinates","266169","2021-06-05","19:28:58",""
"7158017","16.845","0.002","7.2075","0.0011","9.0263","0.0013","90","","104.89","0.006","90","","1059.1","0.3","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 S -","- C10 H16 N2 S -","- C40 H64 N8 S4 -","4","1","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.0536","0.0454","","","0.1238","0.1306","","","","","","1.121","","","","has coordinates","266174","2021-06-05","19:29:39",""
"7158018","8.4613","0.0005","11.5857","0.0007","20.5398","0.0013","105.707","0.004","100.475","0.004","90.015","0.004","1903.4","0.2","190","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 N2 S -","- C10 H10 N2 S -","- C80 H80 N16 S8 -","8","4","","Xiang, Lingling; Wu, Haiting; Liang, Yunshi; Deng, Huiying; He, Yiting; Xu, Qin; Zhang, Jing","Ag(I)-Catalyzed rapid access to 2-amino-4-methylenethiazolines with potential applications in bioconjugation chemistry.","Organic & biomolecular chemistry","2021","19","18","4060","4066","10.1039/d1ob00464f","","","1.34139","GaKα","","0.1374","0.0625","","","0.1331","0.1614","","","","","","1.045","","","","has coordinates","266174","2021-06-05","19:29:40",""
"7158019","7.7449","0.0012","16.862","0.003","21.49","0.003","90","","90","","90","","2806.5","0.8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H10 I N O3 -","- C15 H10 I N O3 -","- C120 H80 I8 N8 O24 -","8","1","","Zhuang, Shi-Yi; Tang, Yong-Xing; Chen, Xiang-Long; Wu, Yan-Dong; Wu, An-Xin","I<sub>2</sub>-DMSO mediated oxidative amidation of methyl ketones with anthranils for the synthesis of α-ketoamides.","Organic & biomolecular chemistry","2021","19","19","4258","4262","10.1039/d1ob00468a","","","0.71073","MoKα","","0.0835","0.0398","","","0.1079","0.1349","","","","","","0.992","","","","has coordinates","266160","2021-06-05","19:27:39",""
"7158020","20.7942","0.0007","11.5133","0.0003","21.0097","0.0007","90","","117.4","0.0011","90","","4465.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N4 O8 S2 -","- C48 H52 N4 O8 S2 -","- C192 H208 N16 O32 S8 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0984","0.0582","","","0.1448","0.1677","","","","","","1.038","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158021","10.9256","0.0006","19.212","0.0012","12.467","0.0008","90","","108.176","0.004","90","","2486.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N2 O4 S -","- C28 H28 N2 O4 S -","- C112 H112 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0842","0.0439","","","0.0961","0.1158","","","","","","1.026","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158022","10.5135","0.0009","19.334","0.0017","9.35","0.0008","90","","114.646","0.003","90","","1727.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O2 S -","- C19 H20 N2 O2 S -","- C76 H80 N8 O8 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0873","0.0485","","","0.0944","0.1131","","","","","","0.981","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158023","10.7975","0.0004","15.5298","0.0005","13.53","0.0005","90","","111.241","0.0013","90","","2114.62","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 N2 O4 S -","- C23 H24 N2 O4 S -","- C92 H96 N8 O16 S4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0501","0.0373","","","0.0938","0.1031","","","","","","1.02","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158024","14.0275","0.0005","9.3309","0.0003","18.6042","0.0007","90","","101.919","0.0014","90","","2382.59","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C104 H100 N8 O20 P4 -","4","1","","Devarahosahalli Veeranna, Kirana; Kanti Das, Kanak; Baskaran, Sundarababu","Reversal of polarity by catalytic SET oxidation: synthesis of azabicyclo[<i>m</i>.<i>n</i>.0]alkanes <i>via</i> chemoselective reduction of amidines.","Organic & biomolecular chemistry","2021","19","18","4054","4059","10.1039/d1ob00416f","","","0.71073","MoKα","","0.0478","0.0365","","","0.0939","0.1029","","","","","","1.048","","","","has coordinates","266168","2021-06-05","19:28:52",""
"7158025","8.5936","0.0002","9.1593","0.0002","11.8002","0.0003","97.475","0.001","95.711","0.001","98.379","0.001","904.42","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 N2 O4 S -","- C19 H26 N2 O4 S -","- C38 H52 N4 O8 S2 -","2","1","","Ilari, Denise; Maskri, Sarah; Schepmann, Dirk; Köhler, Jens; Daniliuc, Constantin G.; Koch, Oliver; Wünsch, Bernhard","Diastereoselective synthesis of conformationally restricted KOR agonists.","Organic & biomolecular chemistry","2021","19","18","4082","4099","10.1039/d1ob00398d","","","1.54178","CuKα","","0.0334","0.0325","","","0.0834","0.0842","","","","","","1.048","","","","has coordinates","266176","2021-06-05","19:29:50",""
"7158026","17.858","0.003","7.985","0.002","24.624","0.006","90","","92.493","0.018","90","","3508","1.4","200","140","200","140","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 N4 O9 -","- C34 H49 N4 O9 -","- C136 H196 N16 O36 -","4","1","","Liu, Jin-Yu; Sun, Xue-Yi; Tang, Quan; Song, Jun-Jie; Li, Xiao-Qi; Gong, Bing; Liu, Rui; Lu, Zhong-Lin","An unnatural tripeptide structure containing intramolecular double H-bonds mimics a turn hairpin conformation.","Organic & biomolecular chemistry","2021","19","19","4359","4363","10.1039/d1ob00526j","","x-ray","1.54184","CuKα","","0.2419","0.1929","","","0.5026","0.5656","","","","","","2.084","","","","has coordinates","266164","2021-06-05","19:28:10",""
"7158027","8.755","0.003","9.844","0.003","10.982","0.004","111.2","0.012","98.323","0.012","105.109","0.011","821.3","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C36 H36 N4 O8 -","2","1","","Ramu, Gopathi; Kodiripaka, Bheeshma Geetanjali; Raga Chaitanya, Kalakonda; Nagendra Babu, Bathini","A facile and metal-free domino reaction of TsDAM and 2-alkenylarylaldehyde: An easy access to 8-hydroxy-2,8-dihydro indeno [2,1-<i>c</i>]pyrazoles.","Organic & biomolecular chemistry","2021","19","18","4118","4125","10.1039/d1ob00262g","","","0.71073","MoKα","","0.0633","0.0482","","","0.1203","0.1386","","","","","","1.046","","","","has coordinates","266170","2021-06-05","19:29:03",""
"7158028","12.5334","0.0011","9.3516","0.0008","17.836","0.0015","90","","90","","90","","2090.5","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O -","- C13 H13 N O -","- C104 H104 N8 O8 -","8","1","","Natho, Philipp; Yang, Zeyu; Allen, Lewis A. T.; Rey, Juliette; White, Andrew J. P.; Parsons, Philip J.","An entry to 2-(cyclobut-1-en-1-yl)-1<i>H</i>-indoles through a cyclobutenylation/deprotection cascade.","Organic & biomolecular chemistry","2021","19","18","4048","4053","10.1039/d1ob00430a","","","0.71073","MoKα","","0.0916","0.0415","","","0.086","0.0951","","","","","","0.883","","","","has coordinates","266175","2021-06-05","19:29:45",""
"7158029","8.83667","0.00015","12.0256","0.0002","12.1039","0.0002","83.6482","0.0015","74.9958","0.0016","70.8882","0.0016","1173.43","0.04","293","","293","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H23 N2 O4 P -","- C26 H23 N2 O4 P -","- C52 H46 N4 O8 P2 -","2","1","","Devi, Lalita; Sharma, Gaurav; Kant, Ruchir; Shukla, Sanjeev K.; Rastogi, Namrata","Regioselective synthesis of functionalized pyrazole-chalcones <i>via</i> a base mediated reaction of diazo compounds with pyrylium salts.","Organic & biomolecular chemistry","2021","19","18","4132","4136","10.1039/d1ob00274k","","","1.54184","CuKα","","0.0819","0.0753","","","0.2085","0.2172","","","","","","1.067","","","","has coordinates","266171","2021-06-05","19:29:08",""
"7158030","14.0152","0.0003","32.06","0.0007","27.4484","0.0005","90","","101.878","0.0018","90","","12069.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C120 H134 Fe2 N24 O24 -","- C120 H134 Fe2 N24 O24 -","- C480 H536 Fe8 N96 O96 -","4","1","","Liu, Ya-Zhou; Mu, Xiao; Chan, Cheih-Kai; Robeyns, Koen; Wang, Cheng-Chung; Singleton, Michael L.","Water binding stabilizes stacked conformations of ferrocene containing sheet-like aromatic oligoamides.","Organic & biomolecular chemistry","2021","19","25","5521","5524","10.1039/d1ob00580d","","","0.71073","MoKα","","0.1062","0.0638","","","0.1532","0.1741","","","","","","1.073","","","","has coordinates,has disorder","267242","2021-07-05","18:13:30",""
"7158031","9.17","0.014","29.3","0.04","9.624","0.015","90","","94.36","0.02","90","","2578","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 Cl3 N O5 -","- C29 H22 Cl3 N O5 -","- C116 H88 Cl12 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.12","0.0599","","","0.1314","0.158","","","","","","1.029","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158032","9.944","0.0006","10.1014","0.0005","11.6132","0.0006","79.844","0.002","79.371","0.002","84.323","0.002","1125.89","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 N O5 S -","- C28 H21 N O5 S -","- C56 H42 N2 O10 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0768","0.0503","","","0.1314","0.1532","","","","","","0.91","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158033","9.427","0.0005","10.2071","0.0006","13.7551","0.0008","76.432","0.002","74.927","0.002","79.643","0.002","1232.36","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N O6 S -","- C29 H23 N O6 S -","- C58 H46 N2 O12 S2 -","2","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","1.54178","CuKα","","0.0398","0.0364","","","0.0911","0.0937","","","","","","1.031","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158034","9.8464","0.0015","16.367","0.002","14.348","0.002","90","","94.553","0.006","90","","2305","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Cl N O5 -","- C28 H20 Cl N O5 -","- C112 H80 Cl4 N4 O20 -","4","1","","Warghude, Prakash K.; Sabale, Abhijeet S.; Dixit, Ruchi; Vanka, Kumar; Bhat, Ramakrishna G.","An easy and practical approach to access multifunctional cylcopentadiene- and cyclopentene-spirooxindoles <i>via</i> [3 + 2] annulation.","Organic & biomolecular chemistry","2021","19","19","4338","4345","10.1039/d1ob00514f","","","0.71073","MoKα","","0.0583","0.0416","","","0.0881","0.0954","","","","","","1.051","","","","has coordinates","266163","2021-06-05","19:28:03",""
"7158035","23.452","0.005","4.5449","0.0009","22.939","0.005","90","","111.31","0.03","90","","2277.8","0.9","210","2","210","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","methyl 8-bromo-2-oxo-2,3-dihydro-1H-benzo[b]azepine-4-carboxylate","","- C12 H10 Br N O3 -","- C12 H10 Br N O3 -","- C96 H80 Br8 N8 O24 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.063","0.0382","","","0.0869","0.0983","","","","","","1.038","","","","has coordinates","266159","2021-06-05","19:27:32",""
"7158036","29.6153","0.0012","4.8689","0.0001","20.5","0.0009","90","","104.698","0.003","90","","2859.25","0.18","210","2","210","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(E)-2-(4-methoxybenzylidene)-4-isopropoxy-4-oxobutanoic acid","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","1","","Krause, Andreas; Sperlich, Eric; Schmidt, Bernd","Matsuda-Heck arylation of itaconates: a versatile approach to heterocycles from a renewable resource.","Organic & biomolecular chemistry","2021","19","19","4292","4302","10.1039/d1ob00392e","","","0.71073","MoKα","","0.0564","0.0415","","","0.1129","0.1204","","","","","","1.07","","","","has coordinates,has disorder","266159","2021-06-05","19:27:33",""
"7158037","10.73","0.004","9.218","0.003","16.091","0.006","90","","95.635","0.007","90","","1583.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","","0.71073","MoKα","","0.0737","0.0416","","","0.0812","0.0885","","","","","","1.03","","","","has coordinates","266162","2021-06-05","19:27:52",""
"7158038","11.7732","0.0005","7.7539","0.0003","15.9751","0.0007","90","","104.728","0.004","90","","1410.42","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C72 H44 Br4 N8 O4 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","1.54184","CuKα","","0.0943","0.0845","","","0.2077","0.2305","","","","","","1.045","","","","has coordinates","266162","2021-06-05","19:27:53",""
"7158039","8.8361","0.001","8.2497","0.0008","21.719","0.002","90","","96.488","0.011","90","","1573.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Chen, Mengjia; Meng, Haifang; Yang, Fang; Wang, Yani; Chen, Chen; Zhu, Bolin","Rhodium(iii)-catalyzed switchable C-H acylmethylation and annulation of 2,2'-bipyridine derivatives with sulfoxonium ylides.","Organic & biomolecular chemistry","2021","19","19","4268","4271","10.1039/d1ob00590a","","x-ray","0.71073","MoKα","","0.0714","0.0485","","","0.1378","0.1575","","","","","","1.042","","","","has coordinates","266162","2021-06-05","19:27:53",""
"7158040","8.16","0.0016","5.6","0.0011","27.7","0.006","90","","94","0.03","90","","1262.7","0.4","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-phenyl-1H-pyrano[4,3-b]quinolin-1-one","","- C18 H11 N O2 -","- C18 H11 N O2 -","- C72 H44 N4 O8 -","4","1","","Ansari, Farzaneh; Khosravi, Hormoz; Abbasi Kejani, Alireza; Armaghan, Mahsa; Frank, Walter; Balalaie, Saeed; Jafarpour, Farnaz","Transition-metal-free oxidative cyclization reaction of enynals to access pyrane-2-one derivatives.","Organic & biomolecular chemistry","2021","19","19","4263","4267","10.1039/d1ob00726b","","","0.71073","MoKα","","0.1256","0.0928","","","0.1455","0.155","","","","","","1.331","","","","has coordinates","266165","2021-06-05","19:28:16",""
"7158041","6.2023","0.0013","11.202","0.002","16.755","0.004","90","","90","","90","","1164.1","0.4","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Xu, Si-Yu; Zhang, Rui; Zhang, Shu-Sheng; Feng, Chen-Guo","Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction.","Organic & biomolecular chemistry","2021","19","20","4492","4496","10.1039/d1ob00487e","","","0.71073","MoKα","","0.1044","0.0396","","","0.0676","0.0845","","","","","","0.987","","","","has coordinates","266167","2021-06-05","19:28:29",""
"7158042","24.164","0.0005","9.5229","0.0002","15.7986","0.0003","90","","116.639","0.001","90","","3249.53","0.12","173","2","172.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 O2 P2 Ru -","- C37 H32 Cl2 O2 P2 Ru -","- C148 H128 Cl8 O8 P8 Ru4 -","4","0.5","","Li, Chen; Ge, Min-Tong; Bai, Liang; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","Direct <i>N</i>-alkylation of sulfur-containing amines.","Organic & biomolecular chemistry","2021","19","20","4478","4482","10.1039/d1ob00368b","","","1.34139","GaKα","","0.031","0.0304","","","0.0804","0.0808","","","","","","1.059","","","","has coordinates,has disorder","266166","2021-06-05","19:28:24",""
"7158043","22.5105","0.0008","6.8064","0.0002","20.6235","0.0007","90","","117.157","0.001","90","","2811.5","0.16","120","","120","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H9 N O -","- C8 H9.00025 N O -","- C128 H144.004 N16 O16 -","16","2","","Luo, Liangliang; Chen, Xiao-Pan; Li, Zhao-Feng; Zhou, Yuan; Xiao, You-Cai; Chen, Fen-Er","Palladium(II)-catalyzed aerobic oxidative O-H/C-H isocyanide insertion: facile access to pyrrolo[2,1-<i>c</i>][1,4]benzoxazine derivatives.","Organic & biomolecular chemistry","2021","19","19","4364","4368","10.1039/d1ob00393c","","","0.71073","MoKα","","0.0923","0.0555","","","0.1228","0.1449","","","","","","1.018","","","","has coordinates,has disorder","266161","2021-06-05","19:27:46",""
"7158044","8.703","0.013","9.329","0.014","14.17","0.02","94.13","0.03","91.26","0.03","90.13","0.02","1147","3","223","","223","","","","","","","","","4","P 1","P 1","1","","","","- C24 H31 Br O5 -","- C24 H32 Br O5 -","- C48 H64 Br2 O10 -","2","2","","Nakamura, Tenma; Pitna, Dinda B.; Kimura, Kogaku; Yoshimoto, Yukiko; Uchiyama, Tomoya; Mori, Takaya; Kondo, Ryosuke; Hara, Shihori; Egoshi, Yuki; Yamaguchi, Shoya; Suzuki, Noriyuki; Suzuki, Yumiko; Usuki, Toyonobu","Total synthesis of cynaropicrin.","Organic & biomolecular chemistry","2021","19","27","6038","6044","10.1039/d1ob00657f","","","0.71073","MoKα","","0.1182","0.0737","","","0.187","0.2234","","","","","","0.935","","","","has coordinates","268917","2021-09-06","12:24:05",""
"7158045","11.179","0.003","18.388","0.004","19.517","0.004","90","","90","","90","","4011.9","1.6","110","2","110","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H20 Cl8 F4 O4 Sb2 -","- C42 H20 Cl8 F4 O4 Sb2 -","- C168 H80 Cl32 F16 O16 Sb8 -","4","0.5","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0296","0.0272","","","0.0662","0.0676","","","","","","1.148","","","","has coordinates","267229","2021-07-05","18:10:56",""
"7158046","8.8626","0.0012","11.4164","0.0015","12.8227","0.0017","96.74","0.002","92.201","0.002","91.203","0.002","1287","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","none","","","- C32 H15 F8 O2 Sb -","- C32 H15 F8 O2 Sb -","- C64 H30 F16 O4 Sb2 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0558","0.0571","","","","","","1.057","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158047","21.576","","13.045","","24.513","","90","","105.31","","90","","6654.55","","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H56 F21 N O4 Sb2 -","- C74 H56 F21 N O4 Sb2 -","- C296 H224 F84 N4 O16 Sb8 -","4","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0314","0.0223","","","0.0455","0.0486","","","","","","1.039","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158048","43.782","0.013","12.384","0.003","24.941","0.007","90","","96.702","0.006","90","","13431","6","110","2","110.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73.95 H59 F16.97 N O4 Sb2 -","- C73.944 H59 F16.968 N O4 Sb2 -","- C591.552 H472 F135.744 N8 O32 Sb16 -","8","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0746","0.0475","","","0.1075","0.1228","","","","","","1.021","","","","has coordinates,has disorder","276322","2022-06-28","14:05:29",""
"7158049","10.646","0.01","12.039","0.012","22.8","0.02","88.953","0.012","89.387","0.011","81.84","0.011","2892","5","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H30 Cl6 F16 O4 Sb2 -","- C61 H30 Cl6 F16 O4 Sb2 -","- C122 H60 Cl12 F32 O8 Sb4 -","2","1","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.0449","0.0334","","","0.0729","0.0791","","","","","","1.022","","","","has coordinates,has disorder","276322","2022-06-28","14:05:41",""
"7158050","29.7448","0.0012","10.3503","0.0004","31.5033","0.0013","90","","90","","90","","9698.8","0.7","100.15","","100.15","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H20 F20 O4 Sb2 -","- C58 H20 F20 O4 Sb2 -","- C464 H160 F160 O32 Sb16 -","8","2","","You, Di; Zhou, Benyu; Hirai, Masato; Gabbaï, François P","Distiboranes based on <i>ortho</i>-phenylene backbones as bidentate Lewis acids for fluoride anion chelation.","Organic & biomolecular chemistry","2021","19","22","4949","4957","10.1039/d1ob00536g","","","0.71073","MoKα","","0.036","0.03","","","0.0728","0.0749","","","","","","1.156","","","","has coordinates","267229","2021-07-05","18:10:57",""
"7158051","11.3249","0.00016","10.11966","0.00012","11.47015","0.00015","90","","106.002","0.0014","90","","1263.59","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C58 H58 F2 N4 O6 -","2","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0274","0.0268","","","0.07","0.0709","","","","","","1.039","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158052","25.4371","0.0005","6.95612","0.00016","15.3764","0.0002","90","","99.685","0.0016","90","","2681.98","0.09","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H29 F N2 O3 -","- C29 H29 F N2 O3 -","- C116 H116 F4 N8 O12 -","4","1","","Zhang, Chao; Wu, You-Cai; Cui, Bao-Dong; Li, Lian; Han, Wen-Yong; Wan, Nan-Wei; Chen, Yong-Zheng","Palladium-catalyzed asymmetric allylic alkylation of 3-aminooxindoles to access chiral homoallylic aminooxindoles.","Organic & biomolecular chemistry","2021","19","21","4720","4725","10.1039/d1ob00550b","","x-ray","1.54184","CuKα","","0.0345","0.0325","","","0.0879","0.0907","","","","","","1.033","","","","has coordinates","266180","2021-06-05","19:30:19",""
"7158053","12.4146","0.0006","9.1711","0.0005","13.5882","0.0008","90","","105.086","0.005","90","","1493.77","0.14","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","2","","Nipate, Dhananjay S.; Shinde, Vikki N.; Rangan, Krishnan; Kumar, Anil","Switchable regioselective hydroalkylation of 2-arylindoles with maleimides.","Organic & biomolecular chemistry","2021","19","22","4910","4921","10.1039/d1ob00690h","","x-ray","1.54184","CuKα","","0.0903","0.0862","","","0.2693","0.2721","","","","","","1.094","","","","has coordinates","267233","2021-07-05","18:11:49",""
"7158054","15.2055","0.0018","17.986","0.002","8.4082","0.0011","90","","90","","90","","2299.5","0.5","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C27 H28 O7 -","- C27 H28 O7 -","- C108 H112 O28 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.1004","0.069","","","0.1332","0.1476","","","","","","1.053","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158055","11.9481","0.0008","15.6973","0.0009","12.0408","0.0007","90","","111.052","0.003","90","","2107.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 F2 O6 -","- C25 H20 F2 O6 -","- C100 H80 F8 O24 -","4","1","","Chang, Meng-Yang; Lin, Chun-Yi; Chen, Shin-Mei; Hsiao, Yu-Ting","Bsi(OTf)<sub>3</sub>-mediated tandem annulation of 1-aryl isochroman-3-ones with oxygenated arenes: one-pot synthesis of polyoxygenated homotriptycenes.","Organic & biomolecular chemistry","2021","19","21","4733","4742","10.1039/d1ob00606a","","","0.71073","MoKα","","0.0725","0.0407","","","0.0917","0.1061","","","","","","1.004","","","","has coordinates","266179","2021-06-05","19:30:12",""
"7158056","9.4685","0.0005","12.8091","0.0007","17.304","0.001","90","","92.621","0.002","90","","2096.5","0.2","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N O -","- C24 H8 B F10 N O -","- C96 H32 B4 F40 N4 O4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0497","0.0392","","","0.1006","0.108","","","","","","1.041","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158057","11.1178","0.0006","12.3316","0.0006","15.8444","0.0008","83.703","0.002","89.331","0.002","89.752","0.002","2159.01","0.19","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H24 B2 F20 N2 -","- C50 H24 B2 F20 N2 -","- C100 H48 B4 F40 N4 -","2","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0603","0.047","","","0.1075","0.1199","","","","","","1.051","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158058","7.6108","0.0004","9.4314","0.0007","27.7355","0.0019","90","","94.802","0.002","90","","1983.9","0.2","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H8 B F10 N -","- C24 H8 B F10 N -","- C96 H32 B4 F40 N4 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0578","0.0455","","","0.1029","0.1087","","","","","","1.065","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158059","30.583","0.01","14.745","0.005","17.429","0.006","90","","122.794","0.012","90","","6607","4","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H36 B2 F20 N6 -","- C62 H36 B2 F20 N6 -","- C248 H144 B8 F80 N24 -","4","0.5","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0931","0.0613","","","0.146","0.167","","","","","","1.012","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158060","11.0755","0.001","11.2327","0.0011","18.6587","0.0018","90","","105.827","0.003","90","","2233.3","0.4","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F10 N Si2 -","- C18 H18 B F10 N Si2 -","- C72 H72 B4 F40 N4 Si8 -","4","1","","Bentley, Jordan N.; Simoes, Selvyn A.; Pradhan, Ekadashi; Zeng, Tao; Caputo, Christopher B.","The synthesis, properties, and reactivity of Lewis acidic aminoboranes.","Organic & biomolecular chemistry","2021","19","21","4796","4802","10.1039/d1ob00520k","","","0.71073","MoKα","","0.0525","0.0466","","","0.105","0.1108","","","","","","1.06","","","","has coordinates","266177","2021-06-05","19:30:00",""
"7158061","6.1284","0.0003","13.2853","0.0008","34.731","0.003","90","","90","","90","","2827.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-bis(diphenylbismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 O -","- C36 H26 Bi2 O -","- C144 H104 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0374","0.0287","","","0.0571","0.0604","","","","","","1.069","","","","has coordinates","267231","2021-07-05","18:11:35",""
"7158062","9.0281","0.0004","12.188","0.0005","15.1195","0.0006","101.289","0.002","90.246","0.002","95.156","0.002","1624.47","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-l5-bismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 Cl4 O -","- C36 H26 Bi2 Cl4 O -","- C72 H52 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0408","0.0262","","","0.0527","0.0566","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158063","12.0198","0.0003","12.1771","0.0007","15.7796","0.0011","96.19","0.005","103.9","0.004","114.199","0.003","1988.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,6-bis(dichlorodiphenyl-λ^5^-bismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C44 H36 Bi2 Cl4 O -","- C44 H36 Bi2 Cl4 O -","- C88 H72 Bi4 Cl8 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.027","0.021","","","0.0436","0.0457","","","","","","1.072","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158064","10.6951","0.0017","10.8286","0.0012","13.7009","0.0008","83.462","0.006","88.592","0.009","79.178","0.012","1548.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,6-bis(diphenylbismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine","","- C38 H30 Bi2 O -","- C38 H30 Bi2 O -","- C76 H60 Bi4 O2 -","2","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0555","0.0314","","","0.0553","0.0613","","","","","","1.011","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158065","37.8761","0.0011","51.185","0.0017","6.6097","0.0002","90","","90","","90","","12814.1","0.7","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylbismuthane)","","- C39 H32 Bi2 O -","- C39 H32 Bi2 O -","- C624 H512 Bi32 O16 -","16","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.041","0.0288","","","0.0415","0.0437","","","","","","1.046","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158066","8.4334","0.0005","25.9105","0.0015","15.5944","0.0009","90","","91.06","0.002","90","","3407","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(oxybis(2,1-phenylene))bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C36 H28 Bi2 Cl4 O -","- C36 H28 Bi2 Cl4 O -","- C144 H112 Bi8 Cl16 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0327","0.0253","","","0.0521","0.0542","","","","","","1.089","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158067","11.0777","0.0007","17.8599","0.0011","15.0585","0.0009","90","","92.997","0.002","90","","2975.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(oxybis(2,1-phenylene))bis(diphenylbismuthane)","","- C36 H28 Bi2 O -","- C36 H28 Bi2 O -","- C144 H112 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0262","0.0187","","","0.033","0.0344","","","","","","1.038","","","","has coordinates","267231","2021-07-05","18:11:36",""
"7158068","12.3959","0.0006","13.9993","0.0006","21.7582","0.001","90","","100.772","0.002","90","","3709.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(9,9-dimethyl-9H-xanthene-4,5-diyl)bis(dichlorodiphenyl-λ^5^-bismuthane)","","- C39.5 H33 Bi2 Cl5 O -","- C39.5 H33 Bi2 Cl5 O -","- C158 H132 Bi8 Cl20 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","Mo-Kα","","0.0196","0.016","","","0.0323","0.0339","","","","","","1.043","","","","has coordinates,has disorder","267231","2021-07-05","18:11:36",""
"7158069","9.495","0.004","15.107","0.007","12.403","0.006","90","","93.99","0.02","90","","1774.8","1.4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 Br N2 O -","- C24 H13 Br N2 O -","- C96 H52 Br4 N8 O4 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","","0.71073","MoKα","","0.1261","0.0488","","","0.0951","0.1207","","","","","","0.971","","","","has coordinates","267248","2021-07-05","18:14:36",""
"7158070","9.7636","0.0003","9.7605","0.0002","19.7943","0.0005","90","","94.084","0.002","90","","1881.56","0.08","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 Br1.287 Cl0.713 N2 -","- C24 H14 Br1.287 Cl0.713 N2 -","- C96 H56 Br5.148 Cl2.852 N8 -","4","1","","Das, Sarasija; Choudhury, Anwesha; Mandal, Arnab; Kumar, Chandan; Ranjan Sahoo, Smruti; Bedi, Anjan; Shekhar Karmakar, Himadri; Gopal Ghosh, Nani; Dey, Somnath; Krishnan Iyer, Parameswar; Bhattacharyya, Sayan; Zade, Sanjio S.","An unconventional route to an ambipolar azaheterocycle and its <i>in situ</i> generated radical anion.","Organic & biomolecular chemistry","2021","19","23","5114","5120","10.1039/d1ob00826a","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.0834","0.084","","","","3.41","3.41","3.33","","","","has coordinates","267248","2021-07-05","18:14:37",""
"7158071","9.8028","0.0004","11.5069","0.0005","12.8022","0.0006","65.998","0.003","84.345","0.003","84.332","0.003","1310.06","0.1","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N O -","- C33 H30.905 N O -","- C66 H61.81 N2 O2 -","2","1","","He, Yuan; Zheng, Ting; Huang, Yin-Hui; Dong, Lin","Rh(III)-Catalyzed olefination to build diverse oxazole derivatives from functional alkynes.","Organic & biomolecular chemistry","2021","19","22","4937","4942","10.1039/d1ob00507c","","","1.54178","CuKα","","0.0659","0.0556","","","0.1616","0.1707","","","","","","1.112","","","","has coordinates,has disorder","267236","2021-07-05","18:12:09",""
"7158072","5.6515","0.0012","8.034","0.002","12.082","0.003","81.886","0.008","88.585","0.009","73.865","0.009","521.6","0.2","140","2","140","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","1","1","","Biswas, Rayhan G.; Ray, Sumit K.; Kannaujiya, Vinod K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Cu(I)-Catalyzed asymmetric <i>exo</i>-selective synthesis of substituted pyrrolidines <i>via</i> a 1,3-dipolar cycloaddition reaction.","Organic & biomolecular chemistry","2021","19","21","4685","4690","10.1039/d1ob00494h","","","0.71073","MoKα","","0.0922","0.0615","","","0.1341","0.1497","","","","","","0.926","","","","has coordinates","266178","2021-06-05","19:30:06",""
"7158073","7.6699","0.0015","11.185","0.002","14.839","0.003","97.37","0.03","95.12","0.03","94.17","0.03","1252.9","0.4","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 N O4 S -","- C31 H25 N O4 S -","- C62 H50 N2 O8 S2 -","2","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.061","0.0542","","","0.1092","0.1138","","","","","","1.081","","","","has coordinates,has disorder","267235","2021-07-05","18:12:02",""
"7158074","7.5652","0.0015","9.559","0.0019","32.515","0.007","90","","90","","90","","2351.3","0.8","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.1505","0.1261","","","0.2985","0.3277","","","","","","1.142","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158075","9.734","0.0019","11.144","0.002","25.686","0.005","90","","90","","90","","2786.3","0.9","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Cl N O6 S -","- C32 H26 Cl N O6 S -","- C128 H104 Cl4 N4 O24 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.0663","0.0593","","","0.1026","0.1063","","","","","","1.111","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158076","8.3195","0.0003","18.8155","0.0008","30.0395","0.0015","90","","90","","90","","4702.2","0.4","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Br N4 O3 -","- C27 H23 Br N4 O3 -","- C216 H184 Br8 N32 O24 -","8","1","","Xu, Hui; Huang, Rong-Lu; Shu, Zhu; Hong, Ran; Zhang, Ze","Chemoselective synthesis of 5,4'-imidazolinyl spirobarbiturates <i>via</i> NBS-promoted cyclization of unsaturated barbiturates and amidines.","Organic & biomolecular chemistry","2021","19","22","4978","4985","10.1039/d1ob00508a","","","0.71073","MoKα","","0.0436","0.0324","","","0.0745","0.0796","","","","","","1.036","","","","has coordinates","267230","2021-07-05","18:11:04",""
"7158077","10.1304","0.0012","16.9245","0.0019","19.35","0.002","90","","92.357","0.005","90","","3314.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O -","- C43 H32 N2 O -","- C172 H128 N8 O4 -","4","1","","Zhang, Wande; Wei, Shiqiang; Qu, Jingping; Wang, Baomin","Acid-catalyzed allenylation of pyrazolones with propargyl alcohols.","Organic & biomolecular chemistry","2021","19","22","4992","5001","10.1039/d1ob00592h","","","0.71073","MoKα","","0.1053","0.0527","","","0.1255","0.1464","","","","","","0.96","","","","has coordinates","267232","2021-07-05","18:11:44",""
"7158078","5.4048","0.0001","13.6367","0.0004","20.6903","0.0006","71.195","0.001","85.372","0.001","85.751","0.001","1436.97","0.07","100","2","100.15","","","","","","","","","5","P 1","P 1","1","","","","- C33 H26 N2 O9 S -","- C33 H26 N2 O9 S -","- C66 H52 N4 O18 S2 -","2","2","","Ludford III, Paul T; Li, Yao; Yang, Shenghua; Tor, Yitzhak","Cytidine Deaminase Can Deaminate Fused Pyrimidine Ribonucleosides","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00705J","","x-ray","1.54178","CuKα","","0.0285","0.0273","","","0.0695","0.0701","","","","","","1.027","","","","has coordinates","265165","2021-05-13","03:22:51",""
"7158079","16.51","0.05","7.4","0.02","16.74","0.05","90","","96","0.06","90","","2034","10","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br N O2 S -","- C24 H20 Br N O2 S -","- C96 H80 Br4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1201","0.0483","","","0.0968","0.1342","","","","","","1.029","","","","has coordinates","267245","2021-07-05","18:14:12",""
"7158080","16.227","0.005","7.418","0.002","17.261","0.003","90","","96.413","0.018","90","","2064.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 I N O2 S -","- C24 H20 I N O2 S -","- C96 H80 I4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1224","0.0567","","","0.1456","0.1966","","","","","","0.967","","","","has coordinates","267245","2021-07-05","18:14:13",""
"7158081","8.0989","0.0018","34.797","0.01","7.681","0.0018","90","","107.3","0.016","90","","2066.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl N O2 S -","- C24 H20 Cl N O2 S -","- C96 H80 Cl4 N4 O8 S4 -","4","1","","Singha, Monisha; Bhattacharya, Prabuddha; Ray, Debashis; Basak, Amit","Sterically hindering the trajectory of nucleophilic attack towards <i>p</i>-benzynes by a properly oriented hydrogen atom: an approach to achieve regioselectivity.","Organic & biomolecular chemistry","2021","19","23","5148","5154","10.1039/d1ob00521a","","","0.71073","MoKα","","0.1518","0.0686","","","0.1659","0.2188","","","","","","1.005","","","","has coordinates","267245","2021-07-05","18:14:13",""
"7158082","10.7761","0.0005","8.5009","0.0004","11.6925","0.0005","90","","112.539","0.002","90","","989.3","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H16 Cl N O S -","- C24 H16 Cl N O S -","- C48 H32 Cl2 N2 O2 S2 -","2","1","","Meng, Beibei; Shi, Qian; Meng, Yuan; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu","Asymmetric catalytic alkynylation of thiazolones and azlactones for synthesis of quaternary α-amino acid precursors.","Organic & biomolecular chemistry","2021","19","23","5087","5092","10.1039/d1ob00582k","","","1.54178","CuKα","","0.0229","0.0227","","","0.0607","0.0609","","","","","","1.038","","","","has coordinates","267251","2021-07-05","18:15:01",""
"7158083","9.4401","0.0002","9.786","0.0002","10.7338","0.0002","64.5184","0.001","74.1018","0.0011","69.7646","0.001","830.67","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0685","0.0451","","","0.1092","0.1243","","","","","","1.028","","","","has coordinates","267249","2021-07-05","18:14:43",""
"7158084","8.3301","0.0005","10.1313","0.0005","10.5314","0.0006","106.868","0.002","106.256","0.002","99.042","0.002","788.58","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","160628No1","160628No1","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Lee, Kyu Ree; Jung, Da Jung; Ahn, Subin; Kim, Ji Won; Lee, Sang-Gi","Catalyst-controlled divergent transformations of <i>N</i>-sulfonyl-1,2,3-triazoles into isoquinolin-3-ones and 2-aminoindanones.","Organic & biomolecular chemistry","2021","19","23","5093","5097","10.1039/d1ob00708d","","","0.71073","MoKα","","0.0458","0.0389","","","0.1055","0.1112","","","","","","1.048","","","","has coordinates","267249","2021-07-05","18:14:49",""
"7158085","10.5776","0.0002","14.3577","0.0002","11.1685","0.0003","90","","115.979","0.003","90","","1524.77","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-fluoro-5-methyl-2-phenylbenzo[e]pyrrolo[3,4-b]azepine-1,3(2H,3aH)-dione","","- C19 H13 F N2 O2 -","- C19 H13 F N2 O2 -","- C76 H52 F4 N8 O8 -","4","1","","Inyutina, Anna; Dar'in, Dmitry; Kantin, Grigory; Krasavin, Mikhail","Tricyclic 2-benzazepines obtained <i>via</i> an unexpected cyclization involving nitrilium ylides.","Organic & biomolecular chemistry","2021","19","23","5068","5071","10.1039/d1ob00773d","","","1.54184","CuKα","","0.0388","0.0337","","","0.0816","0.0853","","","","","","1.033","","","","has coordinates","267246","2021-07-05","18:14:18",""
"7158086","9.8017","0.0007","10.5096","0.0006","10.5266","0.0009","89.694","0.006","63.187","0.008","89.901","0.005","967.76","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O5 -","- C23 H21 N O5 -","- C46 H42 N2 O10 -","2","1","","Jiang, Pengrui; Guo, Jingcheng; Gong, Minghua; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian; Huang, Wei","N-Heterocyclic carbene-catalyzed [3 + 3] annulation of bromoenals with 2-aminochromones to access chromeno[2,3-<i>b</i>]pyridinones.","Organic & biomolecular chemistry","2021","19","22","4882","4886","10.1039/d1ob00720c","","x-ray","0.71073","MoKα","","0.0803","0.0699","","","0.1832","0.1939","","","","","","1.016","","","","has coordinates","267234","2021-07-05","18:11:55",""
"7158087","26.9719","0.0007","26.9719","0.0007","11.6599","0.0003","90","","90","","120","","7346","0.3","150","0.2","150","0.2","","","","","","","","6","R 3 :H","R 3","146","","","","- C13 H21 Br N O3 P -","- C13 H21 Br N O3 P -","- C234 H378 Br18 N18 O54 P18 -","18","2","","Maleckis, Ansis; Herath, Iresha D.; Otting, Gottfried","Synthesis of <sup>13</sup>C/<sup>19</sup>F/<sup>2</sup>H labeled indoles for use as tryptophan precursors for protein NMR spectroscopy.","Organic & biomolecular chemistry","2021","19","23","5133","5147","10.1039/d1ob00611h","","x-ray","1.54184","CuKα","","0.0522","0.0512","","","0.1344","0.1357","","","","","","1.0281","","","","has coordinates","267252","2021-07-05","18:15:17",""
"7158088","7.6464","0.0002","30.7588","0.0009","5.878","0.0002","90","","90","","90","","1382.47","0.07","173","2","173.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0392","0.0341","","","0.0778","0.0813","","","","","","1.098","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158089","13.3693","0.0005","4.2733","0.0002","16.9207","0.0006","90","","90","","90","","966.7","0.07","173","2","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H7 I N2 -","- C11 H7 I N2 -","- C44 H28 I4 N8 -","4","1","","Liu, Yali; Wei, Yu; Yang, Zhen; Li, Yang; Liu, Yan; Liu, Ping","Highly selective C3-H iodination of pyrrolo[1,2-<i>a</i>]quinoxalines.","Organic & biomolecular chemistry","2021","19","23","5191","5196","10.1039/d1ob00759a","","","0.71073","MoKα","","0.0114","0.0111","","","0.028","0.0281","","","","","","1.027","","","","has coordinates","267244","2021-07-05","18:14:05",""
"7158090","14.3648","0.0011","14.4679","0.0012","8.6646","0.0007","90","","101.1","0.008","90","","1767.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl N4 O2 -","- C20 H17 Cl N4 O2 -","- C80 H68 Cl4 N16 O8 -","4","1","","Zhuge, Juanping; Jiang, Ziyang; Jiang, Wei; Histand, Gary; Lin, Dongen","Iodine-catalyzed oxidative functionalization of purines with (thio)ethers or methylarenes for the synthesis of purin-8-one analogues.","Organic & biomolecular chemistry","2021","19","23","5121","5126","10.1039/d1ob00118c","","x-ray","0.71073","MoKα","","0.0441","0.0366","","","0.0855","0.0903","","","","","","1.068","","","","has coordinates","267250","2021-07-05","18:14:55",""
"7158091","16.27079","0.00007","24.574","0.00009","28.66463","0.00011","112.948","0.0004","98.3767","0.0004","100.387","0.0003","10081.8","0.08","169.99","0.13","169.99","0.13","","","","","","","","4","P -1","-P 1","2","","TPA-P6(n-He)","","- C116 H125 N13 O14 -","- C116 H125 N13 O14 -","- C464 H500 N52 O56 -","4","2","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.0803","0.0737","","","0.2094","0.2201","","","","","","1.029","","","","has coordinates,has disorder","267237","2021-07-05","18:12:43",""
"7158092","16.701","0.0002","20.4228","0.0002","24.065","0.0002","89.126","0.001","76.396","0.001","87.174","0.001","7968.08","0.14","170","0.15","170","0.15","","","","","","","","4","P -1","-P 1","2","","P6(i-Bu)","","- C171.26 H177.04 N24 O31.26 -","- C171.259 H177.036 N24 O31.259 -","- C342.518 H354.072 N48 O62.518 -","2","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.1276","0.1204","","","0.3199","0.3236","","","","","","1.058","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158093","10.3686","0.0001","31.9891","0.0003","31.1143","0.0002","90","","95.405","0.001","90","","10274.2","0.15","170","0.15","170","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C104.58 H103.32 N13 O14.58 -","- C104.579 H103.316 N13 O14.579 -","- C418.316 H413.264 N52 O58.316 -","4","1","","Pang, Zhi; Qi, Ting; Li, Baolin","Assembly and optical properties of 1D helical bundles induced by triphenylamine, side chains and solvents in crystals.","Organic & biomolecular chemistry","2021","19","25","5555","5562","10.1039/d1ob00389e","","x-ray","1.54184","CuKα","","0.097","0.0862","","","0.2654","0.2779","","","","","","1.04","","","","has coordinates,has disorder","267237","2021-07-05","18:12:44",""
"7158094","31.598","0.003","11.6057","0.0009","21.0251","0.0017","90","","129.356","0.002","90","","5961.7","0.9","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Br N3 O2 S -","- C35 H28 Br N O2 S -","- C280 H224 Br8 N8 O16 S8 -","8","1","","Chanda, Rupsa; Kar, Abhishek; Das, Aniruddha; Chakraborty, Baitan; Jana, Umasish","Iron-catalyzed carboarylation of alkynes <i>via</i> activation of π-activated alcohols: rapid synthesis of substituted benzofused six-membered heterocycles.","Organic & biomolecular chemistry","2021","19","23","5155","5160","10.1039/d1ob00488c","","","0.71073","MoKα","","0.0817","0.0467","","","0.1404","0.1649","","","","","","1.056","","","","has coordinates","267247","2021-07-05","18:14:26",""
"7158095","9.4903","0.0018","9.865","0.002","11.331","0.002","80.779","0.006","71.403","0.007","68.288","0.005","933","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H24 N3 P -","- C21 H24 N3 P -","- C42 H48 N6 P2 -","2","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0567","0.0433","","","0.1074","0.1248","","","","","","1.078","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158096","11.8876","0.0013","11.8876","0.0013","27.431","0.002","90","","90","","120","","3357.1","0.6","110","2","110","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C12 H18 B12 I12 N6 Zn -","- C12 H18 B12 I12 N6 Zn -","- C36 H54 B36 I36 N18 Zn3 -","3","0.0833333","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0258","0.0212","","","0.0413","0.0433","","","","","","1.112","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158097","7.9597","0.0006","20.1364","0.0017","13.5168","0.001","90","","96.857","0.004","90","","2151","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 N3 P Zn -","- C21 H24 Cl2 N3 P Zn -","- C84 H96 Cl8 N12 P4 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.049","0.0327","","","0.0795","0.0961","","","","","","1.087","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158098","22.1697","0.0006","14.6015","0.0004","23.0686","0.0006","90","","105.685","0.001","90","","7189.5","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B12 I12 N6 P2 Zn -","- C42 H48 B12 I12 N6 P2 Zn -","- C168 H192 B48 I48 N24 P8 Zn4 -","4","1","","Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman","An air-stable, Zn<sup>2+</sup>-based catalyst for hydrosilylation of alkenes and alkynes.","Organic & biomolecular chemistry","2021","19","25","5544","5550","10.1039/d1ob00782c","","","0.71073","MoKα","","0.0458","0.0329","","","0.0567","0.0605","","","","","","1.119","","","","has coordinates","267240","2021-07-05","18:13:13",""
"7158099","12.1783","0.0002","7.56305","0.00018","17.6627","0.0003","90","","90.5451","0.0016","90","","1626.75","0.05","159.99","0.1","159.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-bromo-4,7-dimethyl-2-phenyl-1H-indole-3-carboxylate","","- C19 H18 Br N O2 -","- C19 H18 Br N O2 -","- C76 H72 Br4 N4 O8 -","4","1","","Zhao, Lan; Qiu, Changfu; Zhao, Lixin; Yin, Guangwei; Li, Fangyi; Wang, Chunhua; Li, Zheng","Base-promoted, CBr<sub>4</sub>-mediated tandem bromination/intramolecular Friedel-Crafts alkylation of N-aryl enamines: a facile access to 1H- and 3H-indoles.","Organic & biomolecular chemistry","2021","19","24","5377","5382","10.1039/d1ob00731a","","x-ray","1.54184","CuKα","","0.0847","0.0641","","","0.1701","0.1987","","","","","","1.098","","","","has coordinates","267228","2021-07-05","18:10:36",""
"7158100","12.5895","0.0017","5.0682","0.0007","18.033","0.002","90","","92.174","0.002","90","","1149.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12.5 N O4 -","- C12 H12.413 N O4 -","- C48 H49.652 N4 O16 -","4","1","","Chen, Rongxiang; Jia, Ruo-Ling; Li, Wenbo; Zhao, Wei; Wang, Kai-Kai; Wang, Zhan-Yong; Ma, Xueji; Dai, Wei; Sun, Aili","A copper iodide-catalyzed coupling reaction of benzofuran-3(2H)-ones with amines: an approach to α-ketoamides.","Organic & biomolecular chemistry","2021","19","24","5294","5297","10.1039/d1ob00715g","","","0.71073","MoKα","","0.0603","0.041","","","0.1156","0.124","","","","","","1.09","","","","has coordinates,has disorder","267226","2021-07-05","18:10:21",""
"7158101","7.9896","0.0002","9.2646","0.0003","13.4601","0.0004","105.166","0.003","96.037","0.002","108.811","0.003","890.46","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 B F2 N4 S -","- C20 H15 B F2 N4 S -","- C40 H30 B2 F4 N8 S2 -","2","1","","Puji Pamungkas, Khurnia Krisna; Maruyama, Toshifumi; Murai, Toshiaki","Boron complexes of thiazole-bridged 1,5-bidentate nitrogen ligands: synthesis and acid-responsive photophysical properties","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00828E","","","0.71073","MoKα","","0.0644","0.0421","","","0.1007","0.1153","","","","","","1.042","","","","has coordinates","265576","2021-05-28","03:47:24",""
"7158102","7.707","0.0001","17.6134","0.0002","22.5179","0.0002","90","","93.088","0.001","90","","3052.29","0.06","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cl4 N4 O4 -","- C34 H24 Cl4 N4 O4 -","- C136 H96 Cl16 N16 O16 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0355","0.0305","","","0.0754","0.0777","","","","","","1.059","","","","has coordinates","267241","2021-07-05","18:13:19",""
"7158103","4.6921","0.0001","21.3139","0.0007","14.5759","0.0004","90","","97.032","0.003","90","","1446.73","0.07","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Kudale, Vishal Suresh; Mutra, Mohana Reddy; Chu, Ching-Piao; Wang, Jeh-Jeng","Unusual C<sub>3</sub>-acetylation of quinoxalin-2(1<i>H</i>)-one <i>via</i> oxidative C-C and C-O bond cleavages of PEG-400.","Organic & biomolecular chemistry","2021","19","25","5567","5571","10.1039/d1ob00769f","","x-ray","0.71073","MoKα","","0.0511","0.0404","","","0.0998","0.1052","","","","","","1.094","","","","has coordinates","267241","2021-07-05","18:13:20",""
"7158104","9.7145","0.0002","11.9901","0.0003","17.9234","0.0006","103.282","0.001","95.226","0.001","109.005","0.002","1889.6","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H41 B F9 N3 -","- C42 H41 B F9 N3 -","- C84 H82 B2 F18 N6 -","2","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0985","0.0779","","","0.1854","0.2064","","","","","","1.082","","","","has coordinates,has disorder","267243","2021-07-05","18:13:43",""
"7158105","20.6283","0.0007","8.916","0.0002","19.7224","0.0004","90","","90","","90","","3627.38","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 B F9 N3 -","- C41 H39 B F9 N3 -","- C164 H156 B4 F36 N12 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.1019","0.0781","","","0.181","0.2025","","","","","","1.097","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158106","13.5769","0.0002","17.0284","0.0004","23.6162","0.0005","90","","104.969","0.001","90","","5274.62","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.0956","0.0618","","","0.136","0.1564","","","","","","1.033","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158107","13.3489","0.0004","16.9297","0.0006","23.6112","0.0008","90","","101.316","0.002","90","","5232.2","0.3","111","2","111","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B F9 N3 P -","- C56 H56 B F9 N3 P -","- C224 H224 B4 F36 N12 P4 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","1.54178","CuKα","","0.1655","0.1005","","","0.1703","0.1945","","","","","","1.07","","","","has coordinates","267243","2021-07-05","18:13:44",""
"7158108","7.179","0.002","15.131","0.006","26.209","0.011","90","","92.737","0.016","90","","2843.7","1.8","150","2","150.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C32 H26 Br N O4.5 -","- C32 H26 Br N O4.5 -","- C128 H104 Br4 N4 O18 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.1774","0.134","","","0.3476","0.3844","","","","","","1.399","","","","has coordinates,has disorder","268941","2021-09-06","12:29:56",""
"7158109","7.217","0.0007","15.068","0.0014","23.762","0.002","90","","90","","90","","2584","0.4","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O5 -","- C28 H24 Br N O5 -","- C112 H96 Br4 N4 O20 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.0589","0.0547","","","0.1386","0.1442","","","","","","1.089","","","","has coordinates","268941","2021-09-06","12:29:56",""
"7158110","9.5943","0.0007","13.0289","0.0008","13.5767","0.0009","90","","98.466","0.006","90","","1678.6","0.2","294.39","0.1","294.39","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 N2 O -","- C22 H14 N2 O -","- C88 H56 N8 O4 -","4","1","","Kim, Sunmi; Lee, Jeong Hwa; Yoon, Seok Hyun; Kim, Ikyon","A regioselective [4 + 2] annulation approach to 5-acylindolizine-7-carbonitriles: generation of poly-substituted pyridines.","Organic & biomolecular chemistry","2021","19","26","5806","5817","10.1039/d1ob00788b","","x-ray","0.71073","MoKα","","0.0783","0.0511","","","0.1114","0.1277","","","","","","1.048","","","","has coordinates","268940","2021-09-06","12:29:45",""
"7158111","8.607","0.0005","14.6316","0.0008","22.5134","0.0014","90","","90","","90","","2835.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-isopropyl-1-phenyl-2-(trifluoromethylsulfonyl)-1,2-dihydropyrazol-5-one","","- C13 H13 F3 N2 O3 S -","- C13 H13 F3 N2 O3 S -","- C104 H104 F24 N16 O24 S8 -","8","1","","Panigrahi, Ahwan; Muniraj, Nachimuthu; Prabhu, Kandikere Ramaiah","<i>N</i>-Triflination of pyrazolones: a new method for N-S bond formation.","Organic & biomolecular chemistry","2021","19","25","5534","5538","10.1039/d1ob00862e","","x-ray","0.71073","MoKα","","0.0401","0.0375","","","0.0923","0.0938","","","","","","1.153","","","","has coordinates","267238","2021-07-05","18:12:49",""
"7158112","13.4208","0.0012","26.557","0.002","8.6349","0.0009","90","","90","","90","","3077.6","0.5","223","2","223","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C10 H16 F5 N O4 S -","- C10 H16 F5 N O4 S -","- C80 H128 F40 N8 O32 S8 -","8","1","","Dudziński, Piotr; Husstedt, Wibke S.; Matsnev, Andrej V.; Thrasher, Joseph S.; Haufe, Günter","Synthesis and [3,3]-sigmatropic rearrangements of 5-(pentafluorosulfanyl)-pent-3-en-2-ol, its homologues, and trifluoromethyl analogues.","Organic & biomolecular chemistry","2021","19","25","5607","5623","10.1039/d1ob00870f","","","1.54178","CuKα","","0.0637","0.0574","","","0.1561","0.1643","","","","","","1.047","","","","has coordinates,has disorder","267239","2021-07-05","18:13:03",""
"7158113","9.9866","0.0006","10.417","0.0006","10.4938","0.0008","101.921","0.006","111.131","0.007","105.454","0.005","924.18","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C38 H48 N4 O8 -","2","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0753","0.0622","","","0.1606","0.1732","","","","","","1.044","","","","has coordinates","268942","2021-09-06","12:30:08",""
"7158114","8.7888","0.0004","19.6193","0.0008","10.0883","0.0004","90","","109.798","0.005","90","","1636.71","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0566","0.044","","","0.1186","0.1261","","","","","","1.062","","","","has coordinates","268942","2021-09-06","12:30:11",""
"7158115","9.0953","0.0003","19.6563","0.0005","10.0974","0.0004","90","","109.55","0.004","90","","1701.14","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Zhang, Wei; Xiang, Shiqun; Fan, Weibin; Jin, Jiang; Li, Yinghua; Huang, Deguang","A three-component iodine-catalyzed oxidative coupling reaction: a heterodifunctionalization of 3-methylindoles.","Organic & biomolecular chemistry","2021","19","26","5794","5799","10.1039/d1ob00730k","","","1.54184","CuKα","","0.0542","0.0413","","","0.1059","0.1135","","","","","","1.067","","","","has coordinates","268942","2021-09-06","12:30:18",""
"7158116","14.147","0.002","5.4814","0.0008","18.975","0.003","90","","109.36","0.004","90","","1388.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H36 F4 O8 S8 -","- C68 H36 F4 O8 S8 -","- C68 H36 F4 O8 S8 -","1","0.25","","Mondal, Santa; Yashmin, Sabina; Ali, Rashid; Soundaram, R.; Ghosh, Siddhartha S.; Khan, Abu Taleb","Synthesis of biologically active fused 1,4-oxathiin derivatives from 4-hydroxydithiocoumarins, arylacetylenes and dimethyl sulfoxide by Cu(i)-catalyzed C-H functionalization and cross-dehydrogenative C-S coupling reactions.","Organic & biomolecular chemistry","2021","19","26","5818","5826","10.1039/d1ob00846c","","","0.71073","MoKα","","0.0839","0.0632","","","0.2129","0.236","","","","","","1.648","","","","has coordinates","268939","2021-09-06","12:29:35",""
"7158117","9.4481","0.0004","10.3898","0.0005","17.997","0.0009","90","","96.944","0.004","90","","1753.7","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","2","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0629","0.0477","","","0.138","0.1557","","","","","","1.071","","","","has coordinates,has disorder","268938","2021-09-06","12:29:22",""
"7158118","8.6665","0.0005","9.0914","0.0005","20.0289","0.001","90","","90","","90","","1578.09","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0515","0.0447","","","0.1087","0.1158","","","","","","1.062","","","","has coordinates,has disorder","268938","2021-09-06","12:29:25",""
"7158119","5.9064","0.0003","18.7809","0.0008","7.4306","0.0004","90","","97.589","0.005","90","","817.04","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (4‒methylpyridin‒2‒yl)carbamate","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0501","0.0411","","","0.1095","0.1159","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158120","4.8119","0.0002","10.5336","0.0004","10.7314","0.0004","114.87","0.004","94.157","0.004","90.003","0.003","491.92","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2,2,2‒Trifluoroethyl (4‒methylpyridin‒2‒yl)carbamate","","- C9 H9 F3 N2 O2 -","- C9 H9 F3 N2 O2 -","- C18 H18 F6 N4 O4 -","2","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0385","0.0366","","","0.1019","0.1039","","","","","","1.093","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158121","11.9095","0.0002","7.9623","0.0001","25.3411","0.0004","90","","95.957","0.001","90","","2390.04","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2‒Methoxyethyl quinolin‒2‒ylcarbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C104 H112 N16 O24 -","8","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0415","0.0383","","","0.0968","0.0992","","","","","","1.068","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158122","8.3092","0.0002","12.0788","0.0004","11.8379","0.0003","90","","92.429","0.003","90","","1187.05","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyclohexyl (4‒methylpyridin‒2‒yl)carbamate","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","1","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0465","0.0382","","","0.0975","0.1032","","","","","","1.047","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158123","7.9429","0.0002","12.4375","0.0002","12.8747","0.0003","87.653","0.002","74.488","0.002","87.068","0.002","1223.46","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl (4‒methoxyquinolin‒2‒yl)carbamate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","2","","Kasatkina, Svetlana O.; Geyl, Kirill K.; Baykov, Sergey V.; Boyarskaya, Irina A.; Boyarskiy, Vadim P.","Catalyst-free synthesis of substituted pyridin-2-yl, quinolin-2-yl, and isoquinolin-1-yl carbamates from the corresponding hetaryl ureas and alcohols.","Organic & biomolecular chemistry","2021","19","27","6059","6065","10.1039/d1ob00783a","","x-ray","1.54184","CuKα","","0.0404","0.0368","","","0.0985","0.1021","","","","","","1.085","","","","has coordinates","268923","2021-09-06","12:26:03",""
"7158124","6.4301","0.0005","7.7504","0.0006","14.974","0.0012","95.348","0.002","100.866","0.003","105.796","0.003","696.89","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C32 H24 F2 N2 O4 S2 -","2","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.1269","0.0836","","","0.211","0.2441","","","","","","1.009","","","","has coordinates","268918","2021-09-06","12:24:20",""
"7158125","7.752","0.0006","23.836","0.0019","5.6189","0.0005","90","","97.925","0.002","90","","1028.33","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F N O2 S -","- C10 H8 F N O2 S -","- C40 H32 F4 N4 O8 S4 -","4","1","","Zhang, Zai-Wei; Rakesh, K. P.; Liu, Jing; Qin, Hua-Li; Tang, Haolin","A general approach to nitrile- and sulfonyl fluoride-substituted cyclopropanes.","Organic & biomolecular chemistry","2021","19","27","6021","6024","10.1039/d1ob01043c","","","0.71073","MoKα","","0.0974","0.0776","","","0.16","0.1669","","","","","","1.146","","","","has coordinates","268918","2021-09-06","12:24:34",""
"7158126","7.71","0.0007","9.8223","0.001","16.1672","0.0013","90","","90","","90","","1224.34","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C52 H48 F4 N4 O16 -","4","1","","Banik, Swarnayu; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Enantioselective fluorination of 3-indolinone-2-carboxylates with NFSI catalyzed by chiral bisoxazolines.","Organic & biomolecular chemistry","2021","19","27","6085","6091","10.1039/d1ob00144b","","","0.71073","MoKα","","0.0789","0.0473","","","0.1133","0.1287","","","","","","1.048","","","","has coordinates","268919","2021-09-06","12:24:54",""
"7158127","11.9614","0.0005","15.2361","0.0007","12.3334","0.0005","90","","92.953","0.004","90","","2244.72","0.17","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 N S Sb -","- C27 H24 N S Sb -","- C108 H96 N4 S4 Sb4 -","4","1","","Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian","Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00959A","","x-ray","0.71073","MoKα","","0.0401","0.031","","","0.0608","0.0665","","","","","","1.048","","","","has coordinates","266522","2021-06-17","03:58:47",""
"7158128","8.7657","0.0006","19.2142","0.0013","13.3556","0.0009","90","","101.451","0.007","90","","2204.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N S Sb -","- C26 H28 N S Sb -","- C104 H112 N4 S4 Sb4 -","4","1","","Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian","Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00959A","","x-ray","0.71073","MoKα","","0.0577","0.0435","","","0.0859","0.0939","","","","","","1.052","","","","has coordinates","266522","2021-06-17","03:58:48",""
"7158129","12.0684","0.0005","16.7181","0.0007","12.4529","0.0005","90","","99.279","0.004","90","","2479.63","0.18","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 N S Sb -","- C30 H30 N S Sb -","- C120 H120 N4 S4 Sb4 -","4","1","","Li, Wei; Li, Shan; Wang, Zixiu; Liu, Chenfu; Ye, Yifei; Chen, Yujing; Xiong, Yuyan; lei, jian","Direct Sb‒S cross-coupling of halostibines with thiols and disulfides at room temperature","Organic & Biomolecular Chemistry","2021","","","","","10.1039/D1OB00959A","","x-ray","0.71073","MoKα","","0.0334","0.027","","","0.0546","0.0585","","","","","","1.04","","","","has coordinates","266522","2021-06-17","03:58:48",""
"7158130","17.8125","0.0012","17.8125","0.0012","8.4655","0.0011","90","","90","","120","","2326.1","0.4","296","2","296","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C17 H17 Cl2 N O -","- C17 H17 Cl2 N O -","- C102 H102 Cl12 N6 O6 -","6","1","","Wang, Fang; Liu, Xiaoli; Wang, Lei","Visible-light-induced C(sp<sup>3</sup>)-H functionalizations of piperidines to 3,3-dichloro-2-hydroxy-piperidines with N-chlorosuccinimide.","Organic & biomolecular chemistry","2021","19","27","6141","6146","10.1039/d1ob00868d","","","0.71073","MoKα","","0.0413","0.0331","","","0.0816","0.0871","","","","","","0.929","","","","has coordinates","268920","2021-09-06","12:25:13",""
"7158131","7.2558","0.0007","9.8044","0.001","10.5031","0.001","99.055","0.004","105.174","0.004","103.419","0.004","682.24","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.0549","0.0466","","","0.1259","0.131","","","","","","1.105","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158132","24.406","0.002","5.0265","0.0004","9.4136","0.0008","90","","90","","90","","1154.83","0.16","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Shelar, Santosh V.; Argade, Narshinha P.","Facile synthesis of indolizinoindolone, indolylepoxypyrrolooxazole, indolylpyrrolooxazolone and isoindolopyrazinoindolone heterocycles from indole and imide derivatives.","Organic & biomolecular chemistry","2021","19","27","6160","6169","10.1039/d1ob00754h","","","0.71073","MoKα","","0.039","0.0358","","","0.096","0.106","","","","","","1.193","","","","has coordinates","268916","2021-09-06","12:23:57",""
"7158133","6.7387","0.0001","9.5889","0.0001","44.6727","0.0004","90","","90","","90","","2886.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 Cl N8 O10 -","- C24 H35 Cl N8 O10 -","- C96 H140 Cl4 N32 O40 -","4","1","","Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.","Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.","Organic & biomolecular chemistry","2021","19","27","6147","6159","10.1039/d1ob00600b","","x-ray","1.54184","CuKα","","0.0349","0.0334","","","0.0828","0.0838","","","","","","1.037","","","","has coordinates","268922","2021-09-06","12:25:54",""
"7158134","15.6505","0.0004","4.3519","0.0001","17.2668","0.0005","90","","115.015","0.004","90","","1065.72","0.06","99.9","0.5","99.9","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O4 -","- C11.95 H13.9 O4 -","- C47.8 H55.6 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0554","0.0475","","","0.1307","0.1367","","","","","","1.077","","","","has coordinates,has disorder","268921","2021-09-06","12:25:41",""
"7158135","5.1015","0.0003","21.7906","0.0018","10.1611","0.0004","90","","102.619","0.005","90","","1102.27","0.12","99.9","0.6","99.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11.92 H13.91 O4 -","- C12 H13.976 O4 -","- C48 H55.904 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0666","0.0575","","","0.1707","0.1771","","","","","","1.101","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158136","10.3819","0.0006","12.0675","0.0007","12.3012","0.0006","70.999","0.005","84.623","0.005","83.524","0.005","1445.2","0.14","99.9","0.6","99.9","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C52 H76 O26 -","- C52 H76 O26 -","- C52 H76 O26 -","1","0.5","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0695","0.0633","","","0.2135","0.22","","","","","","1.073","","","","has coordinates","268921","2021-09-06","12:25:44",""
"7158137","12.1797","0.0003","5.2729","0.0001","17.2041","0.0004","90","","99.215","0.002","90","","1090.63","0.04","99.98","0.16","99.98","0.16","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 O4 -","- C13 H13.85 O4 -","- C52 H55.4 O16 -","4","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0502","0.0487","","","0.1253","0.1263","","","","","","1.125","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158138","23.3741","0.0004","13.2115","0.0002","17.727","0.0003","90","","100.781","0.001","90","","5377.6","0.15","99.9","0.6","99.9","0.6","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 O13 -","- C26 H38 O13 -","- C208 H304 O104 -","8","1","","Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng","Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430.","Organic & biomolecular chemistry","2021","19","27","6030","6037","10.1039/d1ob00869b","","x-ray","1.54184","CuKα","","0.0734","0.0701","","","0.192","0.1945","","","","","","1.081","","","","has coordinates,has disorder","268921","2021-09-06","12:25:44",""
"7158139","10.0138","0.0005","11.7765","0.0006","12.7363","0.0006","84.6324","0.0015","78.133","0.0015","84.1528","0.0016","1458.14","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C68 H66 N6 O10 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0512","","","0.1208","0.1367","","","","","","1.028","","","","has coordinates","268954","2021-09-06","12:34:40",""
"7158140","17.6658","0.0012","12.454","0.0008","26.766","0.002","90","","95.226","0.002","90","","5864.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N3 O5 -","- C34 H33 N3 O5 -","- C272 H264 N24 O40 -","8","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2613","0.1063","","","0.219","0.2918","","","","","","1.022","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158141","10.8318","0.0006","11.4013","0.0007","15.4837","0.0008","105.432","0.002","103.175","0.002","103.079","0.002","1708.8","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C68 H62 N6 O16 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1818","0.0946","","","0.2299","0.2804","","","","","","1.024","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158142","10.7954","0.0011","11.0062","0.001","13.5566","0.0012","68.256","0.003","87.382","0.003","86.599","0.003","1493","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H27 Cl2 N O4 -","- C34 H27 Cl2 N O4 -","- C68 H54 Cl4 N2 O8 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1288","0.0788","","","0.2039","0.2348","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158143","8.6348","0.0003","17.8206","0.0007","18.8901","0.0008","90","","94.7464","0.0013","90","","2896.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C132 H120 Cl4 N12 O20 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.0792","0.0487","","","0.1118","0.1278","","","","","","1.034","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158144","13.3152","0.0019","11.0682","0.0015","20.681","","90","0.004","96.176","0.004","90","","3030.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N3 O8 -","- C34 H31 N3 O8 -","- C136 H124 N12 O32 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1741","0.1208","","","0.2225","0.2476","","","","","","1.117","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158145","8.9596","0.0005","9.371","0.0006","19.8144","0.0011","99.221","0.0018","100.172","0.0017","96.4144","0.0019","1599.44","0.16","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N4 O7 -","- C33 H26 N4 O7 -","- C66 H52 N8 O14 -","2","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.096","0.0602","","","0.1498","0.1709","","","","","","1.015","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158146","12.1728","0.0016","13.4083","0.0018","22.278","0.003","86.724","0.004","89.748","0.004","78.705","0.004","3559.8","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N4 O7 -","- C33 H30 N4 O7 -","- C132 H120 N16 O28 -","4","2","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2259","0.0987","","","0.2202","0.2709","","","","","","1.02","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158147","8.852","0.0007","18.3198","0.0015","18.4779","0.0017","90","","95.474","0.003","90","","2982.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O7 -","- C34 H33 N3 O7 -","- C136 H132 N12 O28 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.2193","0.0681","","","0.1163","0.1593","","","","","","1.004","","","","has coordinates","268954","2021-09-06","12:34:41",""
"7158148","11.2751","0.0007","9.4901","0.0005","27.4393","0.0016","90","","96.132","0.002","90","","2919.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 N3 O6 -","- C34 H33 N3 O6 -","- C136 H132 N12 O24 -","4","1","","Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.","Organic & biomolecular chemistry","2021","19","28","6322","6327","10.1039/d1ob01113h","","","0.71073","MoKα","","0.1388","0.0571","","","0.1148","0.144","","","","","","1.009","","","","has coordinates,has disorder","268954","2021-09-06","12:34:41",""
"7158149","16.8782","0.0003","17.0499","0.0003","19.0329","0.0004","90","","99.6071","0.0019","90","","5400.31","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N6 S4 -","- C28 H22 N6 S4 -","- C224 H176 N48 S32 -","8","1","","An, Zhenyu; Wang, Ting; Liu, Yafeng; Ren, Yi; Yan, Rulong","A catalyst-free method for the synthesis of 1,4,2-dithiazoles from isothiocyanates and hydroxylamine triflic acid salts.","Organic & biomolecular chemistry","2021","19","28","6206","6209","10.1039/d1ob00938a","","x-ray","1.54184","CuKα","","0.0459","0.0376","","","0.0978","0.1059","","","","","","1.052","","","","has coordinates","268914","2021-09-06","12:23:31",""
"7158150","9.009","0.002","9.253","0.003","13.987","0.004","106.407","0.011","94.581","0.011","91.51","0.013","1113.4","0.5","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O3 S2 -","- C25 H23 N O3 S2 -","- C50 H46 N2 O6 S4 -","2","1","","Xie, Jianwei; Suleman, Muhammad; Wang, Zaibin; Mao, Xinfei; Mao, Beibei; Fan, Jiale; Lu, Ping; Wang, Yanguang","Syntheses of 4-allyl-/4-allenyl-4-(arylthio)-1,4-dihydroisoquinolin-3-ones <i>via</i> the photochemical Doyle-Kirmse reaction.","Organic & biomolecular chemistry","2021","19","28","6341","6345","10.1039/d1ob00859e","","","0.71073","MoKα","","0.0324","0.031","","","0.0816","0.0827","","","","","","1.058","","","","has coordinates","268959","2021-09-06","12:38:44",""
"7158151","10.61747","0.00019","13.02984","0.00015","10.52228","0.00016","90","","101.882","0.0016","90","","1424.5","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O7 S -","- C14 H11 N O7 S -","- C56 H44 N4 O28 S4 -","4","1","","Hawkins, Paige M. E.; Liu, Dennis Y.; Linington, Roger G.; Payne, Richard J.","Solid-phase synthesis of coralmycin A/<i>epi</i>-coralmycin A and desmethoxycoralmycin A.","Organic & biomolecular chemistry","2021","19","28","6291","6300","10.1039/d1ob01062j","","x-ray","1.54184","CuKα","K-L~2,3~","0.0358","0.0344","","","0.0975","0.0992","","","","","","1.076","","","","has coordinates","268915","2021-09-06","12:23:38",""
"7158152","22.436","0.015","6.47","0.004","23.601","0.015","90","","98.711","0.009","90","","3386","4","100","2","100","2","","","","","","","no","5","C 1 2/c 1","-C 2yc","15","TMSBTO2","2,5-is(trimethylsilyl)benzo[b]thiophene dioxide","","- C14 H22 O2 S Si2 -","- C14 H22 O2 S Si2 -","- C112 H176 O16 S8 Si16 -","8","1","","Nobuhara, Keita; Inagaki, Yusuke; Setaka, Wataru","Steric effects on the intramolecular charge transfer fluorescence of benzo[<i>b</i>]thiophene-1,1-dioxide bridged macrocages.","Organic & biomolecular chemistry","2021","19","28","6328","6333","10.1039/d1ob01050f","","","0.71075","MoKα","","0.0503","0.0451","","","0.1166","0.1209","","","","","","1.073","","","","has coordinates","268907","2021-09-06","12:18:44",""
"7158153","14.159","0.003","17.002","0.004","7.473","0.0016","90","","90","","90","","1799","0.7","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C88 H72 N24 -","8","1","","Zhang, Xiaomin; Yang, Jiali; Xiong, Ni; Han, Zhe; Duan, Xinhua; Zeng, Rong","Indium-mediated annulation of 2-azidoaryl aldehydes with propargyl bromides to [1,2,3]triazolo[1,5-<i>a</i>]quinolines.","Organic & biomolecular chemistry","2021","19","28","6346","6352","10.1039/d1ob01183a","","","0.71073","MoKα","","0.0432","0.0328","","","0.0826","0.0901","","","","","","1.056","","","","has coordinates","268956","2021-09-06","12:36:10",""
"7158154","11.9277","0.0003","10.9677","0.0003","15.6981","0.0005","90","","97.067","0.003","90","","2038.02","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O4 S Si -","- C20 H26 O4 S Si -","- C80 H104 O16 S4 Si4 -","4","1","","Zhang, Ye; Guo, Jingcheng; Han, Jinna; Zhou, Xiangui; Cao, Wei; Fu, Zhenqian","Bifunctional squaramide catalyzed asymmetric synthesis of chiral α-mercaptosilanes.","Organic & biomolecular chemistry","2021","19","29","6412","6416","10.1039/d1ob00981h","","x-ray","1.54184","CuKα","","0.0591","0.0459","","","0.1203","0.1279","","","","","","1.067","","","","has coordinates","268913","2021-09-06","12:23:17",""
"7158155","12.1633","0.0009","16.9191","0.0014","20.785","0.0016","90","","90","","90","","4277.4","0.6","273","2","273.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C192 H168 N24 O24 -","8","1","","Li, Wenhui; Xin, Jie; Zhai, Pingan; Lin, Jianying; Huang, Shuangping; Gao, Wenchao; Li, Xing","Access to highly functionalized imidazolones bearing α-amino acid esters <i>via</i> KOH-promoted annulation of amidines, nitrosoarenes and malonic esters.","Organic & biomolecular chemistry","2021","19","29","6473","6477","10.1039/d1ob00930c","","","0.71073","MoKα","","0.0976","0.0551","","","0.1267","0.1476","","","","","","1.045","","","","has coordinates","268912","2021-09-06","12:23:04",""
"7158156","7.5536","0.0003","15.5289","0.0006","19.9941","0.0007","90","","98.847","0.001","90","","2317.39","0.15","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl N O -","- C26 H22 Cl N O -","- C104 H88 Cl4 N4 O4 -","4","1","","Clarke, Joshua J.; Devaraj, Karthik; Bestvater, Brian P.; Kojima, Ryoto; Eisenberger, Patrick; DeJesus, Joseph F.; Crudden, Cathleen M.","Hydrosilylation and Mukaiyama aldol-type reaction of quinolines and hydrosilylation of imines catalyzed by a mesoionic carbene-stabilized borenium ion.","Organic & biomolecular chemistry","2021","19","31","6786","6791","10.1039/d1ob01056e","","","0.71073","MoKα","","0.0532","0.0437","","","0.116","0.1219","","","","","","1.064","","","","has coordinates","268957","2021-09-06","12:36:40",""
"7158157","8.6611","0.0003","13.0943","0.0003","10.2975","0.0003","90","","110.729","0.003","90","","1092.25","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 N3 O S -","- C26 H21 N3 O S -","- C52 H42 N6 O2 S2 -","2","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0275","0.0262","","","0.0617","0.0626","","","","","","1.035","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158158","6.8461","0.0001","15.7021","0.0003","21.1251","0.0004","90","","90","","90","","2270.91","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0419","0.0371","","","0.0831","0.0865","","","","","","1.054","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158159","21.3972","0.0003","14.6607","0.0002","6.86195","0.00011","90","","90","","90","","2152.58","0.05","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0355","0.0318","","","0.0709","0.0723","","","","","","1.075","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158160","8.2288","0.0005","10.1233","0.0006","25.6942","0.0015","90","","90","","90","","2140.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0622","0.0464","","","0.082","0.0873","","","","","","1.042","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158161","8.694","0.002","18.217","0.004","34.494","0.009","89.931","0.004","89.94","0.004","89.969","0.005","5463","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H30 N4 O12 -","- C19 H30 N4 O12 -","- C152 H240 N32 O96 -","8","4","","Kulkarni, Pradnya; Datta, Dhrubajyoti; Ramabhadran, Raghunath O.; Ganesh, Krishna","Gem-dimethyl peptide nucleic acid (α/β/γ-<i>gdm</i>-PNA) monomers: synthesis and the role of <i>gdm</i>-substituents in preferential stabilisation of <i>Z</i>/<i>E</i>-rotamers.","Organic & biomolecular chemistry","2021","19","29","6534","6545","10.1039/d1ob01097b","","","0.71073","MoKα","","0.3769","0.1058","","","0.2067","0.3326","","","","","","0.912","","","","has coordinates","268909","2021-09-06","12:22:18",""
"7158162","9.0334","0.0002","8.7125","0.0002","12.1508","0.0003","90","","94.034","0.002","90","","953.94","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H19 N5 O2 S2 -","- C17 H19 N5 O2 S2 -","- C34 H38 N10 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","0.71073","MoKα","","0.0452","0.0401","","","0.103","0.1091","","","","","","1.054","","","","has coordinates","268910","2021-09-06","12:22:33",""
"7158163","10.1096","0.0003","8.1557","0.0002","10.7216","0.0004","90","","110.545","0.004","90","","827.78","0.05","99.97","0.11","99.97","0.11","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N4 O2 S2 -","- C15 H16 N4 O2 S2 -","- C30 H32 N8 O4 S4 -","2","1","","Shi, Di; Cao, Jinlian; Weng, Peimin; Yan, Xiaosheng; Li, Zhao; Jiang, Yun-Bao","Chalcogen bonding mediates the formation of supramolecular helices of azapeptides in crystals.","Organic & biomolecular chemistry","2021","19","29","6397","6401","10.1039/d1ob01053k","","","1.54184","CuKα","","0.0388","0.0379","","","0.0952","0.0965","","","","","","1.042","","","","has coordinates,has disorder","268910","2021-09-06","12:22:37",""
"7158164","12.3447","0.001","5.563","0.0005","17.4342","0.0015","90","","104.256","0.002","90","","1160.4","0.17","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 Br N O5 -","- C20 H22 Br N O5 -","- C40 H44 Br2 N2 O10 -","2","1","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.0859","0.0472","","","0.1126","0.127","","","","","","0.989","","","","has coordinates","268908","2021-09-06","12:19:38",""
"7158165","8.7747","0.0004","15.1721","0.0009","16.458","0.0009","72.036","0.002","88.944","0.002","84.345","0.002","2073.94","0.19","296","2","296","2","","","","","","","","7","P 1","P 1","1","","","","- C39 H32 Br F12 N2 O2 P -","- C39 H32 Br F12 N2 O2 P -","- C78 H64 Br2 F24 N4 O4 P2 -","2","2","","Fang, Guosheng; Wang, Hongyu; Zheng, Changwu; Pan, Lu; Zhao, Gang","Enantioselectivity switch in asymmetric Michael addition reactions using phosphonium salts.","Organic & biomolecular chemistry","2021","19","28","6334","6340","10.1039/d1ob01027a","","","0.71073","MoKα","","0.1529","0.1053","","","0.2673","0.3269","","","","","","1.008","","","","has coordinates,has disorder","268908","2021-09-06","12:19:45",""
"7158166","4.9637","0.0002","20.0442","0.0007","10.3335","0.0004","90","","101.298","0.004","90","","1008.19","0.07","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","SM569","","- C8 H4 F3 I N2 O3 -","- C8 H4 F3 I N2 O3 -","- C32 H16 F12 I4 N8 O12 -","4","1","","Kobayashi, Yusuke; Masakado, Sota; Murai, Takuya; Hamada, Shohei; Furuta, Takumi; Takemoto, Yoshiji","A bench-stable N-trifluoroacetyl nitrene equivalent for a simple synthesis of 2-trifluoromethyl oxazoles.","Organic & biomolecular chemistry","2021","19","30","6628","6632","10.1039/d1ob00947h","","x-ray","1.54184","CuKα","","0.065","0.0641","","","0.1774","0.1789","","","","","","1.118","","","","has coordinates","268944","2021-09-06","12:30:53",""
"7158167","7.0451","0.0017","7.3918","0.0017","12.782","0.003","76.201","0.003","81.124","0.003","73.395","0.003","616.8","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C32 H24 O6 -","2","1","","Wu, Hao; Wang, Yi-Chun; Shatskiy, Andrey; Li, Qiu-Yan; Liu, Jian-Quan; Kärkäs, Markus D; Wang, Xiang-Shan","Modular synthesis of 3-substituted isocoumarins <i>via</i> silver-catalyzed aerobic oxidation/<i>6-endo</i> heterocyclization of <i>ortho</i>-alkynylbenzaldehydes.","Organic & biomolecular chemistry","2021","19","30","6657","6664","10.1039/d1ob01065d","","","0.71073","MoKα","","0.0507","0.0454","","","0.1218","0.1317","","","","","","1.082","","","","has coordinates","268943","2021-09-06","12:30:48",""
"7158168","15.006","0.006","6.157","0.002","27.288","0.01","90","","90","","90","","2521.2","1.6","173.15","","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0898","0.0511","","","0.1295","0.1475","","","","","","1.084","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158169","9.806","0.003","11.637","0.003","9.954","0.003","90","","105.446","0.004","90","","1094.8","0.5","293.15","","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun","Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.","Organic & biomolecular chemistry","2021","19","35","7621","7626","10.1039/d1ob01054a","","","0.71073","MoKα","","0.0666","0.0459","","","0.131","0.1413","","","","","","1.0483","","","","has coordinates","269784","2021-10-06","16:16:11",""
"7158170","12.2987","0.0007","12.4224","0.0007","13.2018","0.0008","75.801","0.002","69.663","0.002","66.425","0.001","1720.08","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Br N4 O -","- C40 H33 Br N4 O -","- C80 H66 Br2 N8 O2 -","2","1","","Nawaz, Shah; Wei, Shiqiang; Huang, Yue; Wang, Wenyao; Qu, Jingping; Wang, Baomin","Diastereoselective synthesis of indolenine-based spiro[pyrazolone-4,2'-pyrrolidine] scaffolds via 1,3-dipolar cycloaddition of 4-aminopyrazolones, aldehydes, and indolenines.","Organic & biomolecular chemistry","2021","19","32","6964","6968","10.1039/d1ob01135a","","","0.71073","MoKα","","0.085","0.0494","","","0.1373","0.1582","","","","","","1.029","","","","has coordinates","268927","2021-09-06","12:26:50",""
"7158171","10.8036","0.0009","11.4967","0.0009","15.6103","0.0014","95.672","0.007","91.026","0.007","113.558","0.008","1765.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O3 P2 -","- C39 H32 O3 P2 -","- C78 H64 O6 P4 -","2","1","","Fan, Tao; Liu, Yan; Jiang, Caina; Xu, Yanli; Chen, Yanyan","A metal-free radical cascade reaction of phosphine oxides with 2-aryloxy phenylacetylenes to synthesize diphosphonyl xanthene derivatives.","Organic & biomolecular chemistry","2021","19","30","6609","6612","10.1039/d1ob01045j","","x-ray","0.71073","MoKα","","0.1062","0.0787","","","0.1988","0.22","","","","","","1.044","","","","has coordinates","268946","2021-09-06","12:31:16",""
"7158172","8.4116","0.0004","18.7873","0.001","12.526","0.0006","90","","98.829","0.005","90","","1956.04","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F I N O4 S -","- C19 H15 F I N O4 S -","- C76 H60 F4 I4 N4 O16 S4 -","4","1","","Habert, Loïc; Diachenko, Iryna; Retailleau, Pascal; Gillaizeau, Isabelle","Electrophile promoted cyclization of <i>ortho</i>-aryl substituted ynamides: construction of 3-amino-4-halo- or 4 seleno-isocoumarin derivatives.","Organic & biomolecular chemistry","2021","19","30","6623","6627","10.1039/d1ob01075a","","x-ray","0.71073","MoKα","","0.0524","0.0354","","","0.085","0.091","","","","","","1.043","","","","has coordinates,has disorder","268945","2021-09-06","12:31:05",""
"7158173","5.1089","0.0001","22.0087","0.0004","10.5605","0.0002","90","","99.571","0.002","90","","1170.9","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl N2 O -","- C14 H9 Cl N2 O -","- C56 H36 Cl4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0275","0.0259","","","0.0673","0.0683","","","","","","1.063","","","","has coordinates","268947","2021-09-06","12:31:54",""
"7158174","3.8797","0.0002","21.319","0.0014","14.8922","0.0009","90","","95.148","0.005","90","","1226.78","0.13","180","0.1","180","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C52 H32 Br4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0666","0.0595","","","0.149","0.154","","","","","","1.099","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158175","10.21","0.0002","13.0373","0.0002","18.718","0.0003","90","","103.054","0.002","90","","2427.18","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C104 H64 I8 N24 O8 -","8","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0357","0.0348","","","0.0967","0.0973","","","","","","1.18","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158176","3.7735","0.0001","10.1396","0.0002","29.0994","0.0006","90","","90.876","0.002","90","","1113.26","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0374","0.0348","","","0.0896","0.091","","","","","","1.064","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158177","12.7284","0.0003","6.7266","0.0002","14.4741","0.0004","90","","104.558","0.003","90","","1199.47","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 I N3 O -","- C13 H8 I N3 O -","- C52 H32 I4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0385","0.0359","","","0.0994","0.1013","","","","","","1.091","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158178","3.846","0.0001","9.8013","0.0002","29.8606","0.0006","90","","93.485","0.002","90","","1123.54","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3act-Cl","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0425","0.0416","","","0.1167","0.1174","","","","","","1.046","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158179","3.7981","0.0001","11.5441","0.0002","25.4972","0.0004","90","","91.106","0.002","90","","1117.73","0.04","100","0.18","100","0.18","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl N3 O -","- C13 H8 Cl N3 O -","- C52 H32 Cl4 N12 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0403","0.0385","","","0.1046","0.1059","","","","","","1.074","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158180","4.0845","0.0001","16.1979","0.0004","19.1245","0.0004","90","","95.784","0.002","90","","1258.84","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0367","0.0336","","","0.0815","0.0828","","","","","","1.11","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158181","5.2552","0.0001","15.3923","0.0003","16.4781","0.0003","90","","98.244","0.002","90","","1319.13","0.04","200","0.1","200","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N2 O -","- C14 H9 I N2 O -","- C56 H36 I4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","0.71073","MoKα","","0.0314","0.0261","","","0.0709","0.0732","","","","","","1.078","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158182","5.1974","0.0001","21.9187","0.0005","10.6585","0.0002","90","","100.577","0.002","90","","1193.59","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N2 O -","- C14 H9 Br N2 O -","- C56 H36 Br4 N8 O4 -","4","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0256","0.0244","","","0.0664","0.0671","","","","","","1.058","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158183","6.7509","0.0001","9.2249","0.0002","10.2422","0.0002","112.512","0.002","93.859","0.002","97.72","0.002","578.97","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Br N3 O -","- C13 H8 Br N3 O -","- C26 H16 Br2 N6 O2 -","2","1","","Abeysekera, Amila M.; Averkiev, Boris B.; Le Magueres, Pierre; Aakeröy, Christer B","Intermolecular binding preferences of haloethynyl halogen-bond donors as a function of molecular electrostatic potentials in a family of <i>N</i>-(pyridin-2-yl)amides.","Organic & biomolecular chemistry","2021","19","30","6671","6681","10.1039/d1ob01133b","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0646","0.0648","","","","","","1.069","","","","has coordinates","268947","2021-09-06","12:31:57",""
"7158184","11.4106","0.0007","14.3958","0.0014","9.9664","0.0005","90","","94.167","0.006","90","","1632.8","0.2","293","2","293","2","","","","","","","NA","4","P 1 21/c 1","-P 2ybc","14","","2-(5-fluoro-2-(p-tolyl)-1H-indol-3-yl)ethene-1,1,2-tricarbonitrile","","- C20 H11 F N4 -","- C20 H11 F N4 -","- C80 H44 F4 N16 -","4","1","","Chakraborty, Nikita; Dahiya, Anjali; Rakshit, Amitava; Modi, Anju; Patel, Bhisma K.","An expedient route to tricyanovinylindoles and indolylmaleimides from o-alkynylanilines utilising DMSO as a one-carbon synthon.","Organic & biomolecular chemistry","2021","19","31","6847","6857","10.1039/d1ob01086g","","","0.71073","MoKα","","0.1181","0.0521","","","0.1099","0.1383","","","","","","0.952","","","","has coordinates","268955","2021-09-06","12:35:22",""
"7158185","14.4732","0.0003","8.9061","0.0002","15.9214","0.0004","90","","109.314","0.002","90","","1936.76","0.08","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N2 O4 P -","- C18 H25 N2 O4 P -","- C72 H100 N8 O16 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0575","0.0534","","","0.138","0.1431","","","","","","1.075","","","","has coordinates","268948","2021-09-06","12:32:07",""
"7158186","12.3634","0.0007","10.7573","0.0006","15.9936","0.0008","90","","101.939","0.005","90","","2081.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N3 O2 P -","- C24 H20 N3 O2 P -","- C96 H80 N12 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0552","0.0426","","","0.1064","0.1167","","","","","","1.04","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158187","9.9066","0.0004","9.9454","0.0004","12.3415","0.0006","102.791","0.004","101.823","0.004","90.163","0.003","1159.14","0.09","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 N2 O5 P -","- C26 H25 N2 O5 P -","- C52 H50 N4 O10 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","","1.54184","CuKα","","0.0442","0.0417","","","0.113","0.1163","","","","","","1.043","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158188","12.9952","0.0005","11.0767","0.0005","15.1578","0.0006","90","","93.224","0.004","90","","2178.42","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N2 O2 P -","- C26 H25 N2 O2 P -","- C104 H100 N8 O8 P4 -","4","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0553","0.0416","","","0.1038","0.1128","","","","","","1.019","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158189","9","0.0005","11.1653","0.0008","12.3858","0.0007","115.027","0.007","91.058","0.005","113.01","0.006","1012.5","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 N2 O2 P -","- C24 H21 N2 O2 P -","- C48 H42 N4 O4 P2 -","2","1","","Tajti, Ádám; Szabó, Kármen Emőke; Popovics-Tóth, Nóra; Iskanderov, Javad; Perdih, Franc; Hackler, László; Kari, Beáta; Puskás, László G; Bálint, Erika","PMDTA-catalyzed multicomponent synthesis and biological activity of 2-amino-4H-chromenes containing a phosphonate or phosphine oxide moiety.","Organic & biomolecular chemistry","2021","19","31","6883","6891","10.1039/d1ob01204e","","x-ray","0.71073","MoKα","","0.0593","0.0433","","","0.0999","0.1114","","","","","","1.03","","","","has coordinates","268948","2021-09-06","12:32:08",""
"7158190","9.32193","0.00005","15.92387","0.00009","17.03098","0.00008","90","","91.9636","0.0004","90","","2526.61","0.02","299.51","0.12","299.51","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 O5 P -","- C30 H25 O5 P -","- C120 H100 O20 P4 -","4","1","","Zheng, Shi-Lu; Zou, Yun-Xiang; Wen, Zhong; Lin, Jia-Fu; Gu, Ling-Hui; Chen, Long","Y(OTf)<sub>3</sub>-catalyzed phosphorylation of 2H-chromene hemiacetals with P(O)-H compounds to 2-phosphorylated 2H-chromenes.","Organic & biomolecular chemistry","2021","19","31","6812","6816","10.1039/d1ob01221e","","x-ray","1.54184","CuKα","","0.0417","0.0398","","","0.1079","0.1095","","","","","","1.067","","","","has coordinates","268906","2021-09-06","12:18:37",""
"7158191","10.7889","0.0003","23.8675","0.0005","11.6684","0.0005","90","","113.658","0.004","90","","2752.14","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N O6 S -","- C32 H29 N O6 S -","- C128 H116 N4 O24 S4 -","4","1","","Lodhi, Rajni; Prakash, Meher; Samanta, Sampak","Diastereoselective desymmetrization reactions of prochiral para-quinamines with cyclopropenes generated in situ: access to fused hydroindol-5-one scaffolds.","Organic & biomolecular chemistry","2021","19","33","7129","7133","10.1039/d1ob01322j","","x-ray","1.54184","CuKα","","0.1249","0.1028","","","0.2615","0.302","","","","","","1.64","","","","has coordinates","268935","2021-09-06","12:28:43",""
"7158192","11.168","0.002","15.73","0.002","18.35","0.003","90","","105.575","0.013","90","","3105.2","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C136 H112 Cl8 N8 O32 -","8","2","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0595","0.0446","","","0.12","0.1303","","","","","","1.051","","","","has coordinates","268936","2021-09-06","12:28:51",""
"7158193","12.588","0.003","7.415","0.002","16.351","0.004","90","","100.998","0.018","90","","1498.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl O5 -","- C17 H13 Cl O5 -","- C68 H52 Cl4 O20 -","4","1","","Ge, Yuhua; Chen, Xingyue; Dong, Yi; Wang, Hua-Nan; Li, Yangyan; Chen, Gang","Access to benzene-modified 2<sup>nd</sup> generation strigolactams and GR24 by merging C-H olefination with decarboxylative Giese cyclization.","Organic & biomolecular chemistry","2021","19","33","7141","7146","10.1039/d1ob01234g","","","1.54178","CuKα","","0.0422","0.0359","","","0.095","0.1","","","","","","1.036","","","","has coordinates","268936","2021-09-06","12:28:54",""
"7158194","9.97","0.0003","11.919","0.0003","12.5827","0.0004","90","","90","","90","","1495.23","0.08","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C1.55 H1.45 O0.45 -","- C1.54545 H1.45455 O0.454545 -","- C68 H64 O20 -","44","11","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71073","MoKα","","0.044","0.0407","","","0.1198","0.1239","","","","","","1.018","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158195","10.2334","0.0013","12.1426","0.0015","12.2272","0.0015","115.446","0.004","93.73","0.004","103.262","0.004","1312","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O8 -","- C32 H28 O8 -","- C64 H56 O16 -","2","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0996","0.0494","","","0.1122","0.1323","","","","","","1.017","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158196","8.9293","0.0005","10.0916","0.0006","18.8422","0.001","90","","96.1923","0.0016","90","","1687.98","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Chen, Yan-Shan; Zheng, Yu; Chen, Zhi-Jun; Xie, Zhen-Zhen; He, Xian-Chen; Xiao, Jun-An; Chen, Kai; Xiang, Hao-Yue; Yang, Hua","A phosphine-catalysed one-pot domino sequence to access cyclopentene-fused coumarins.","Organic & biomolecular chemistry","2021","19","32","7074","7080","10.1039/d1ob01143j","","","0.71076","MoKα","","0.0622","0.0454","","","0.107","0.1149","","","","","","1.056","","","","has coordinates","268929","2021-09-06","12:27:16",""
"7158197","10.1542","0.0002","13.7673","0.0003","14.3456","0.0003","72.6361","0.0019","88.2388","0.0016","74.6748","0.0018","1843.48","0.07","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H33 Cl2 I2 O P2 Rh -","- C38 H33 Cl2 I2 O P2 Rh -","- C76 H66 Cl4 I4 O2 P4 Rh2 -","2","1","","Okada, Masaki; Takeuchi, Katsuhiko; Matsumoto, Kazuhiro; Oku, Tomoharu; Choi, Jun-Chul","Hydroxycarbonylation of alkenes with formic acid using a rhodium iodide complex and alkyl ammonium iodide.","Organic & biomolecular chemistry","2021","19","40","8727","8734","10.1039/d1ob01060c","","","0.71073","MoKα","","0.0256","0.0247","","","0.0678","0.068","","","","","","1.305","","","","has coordinates","270507","2021-11-06","20:42:37",""
"7158198","8.6227","0.001","11.3588","0.0012","11.8411","0.0017","117.309","0.013","91.977","0.011","96.236","0.01","1019.7","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C50 H50 N2 O6 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.1154","0.0936","","","0.2981","0.3188","","","","","","1.089","","","","has coordinates","268928","2021-09-06","12:27:05",""
"7158199","11.7193","0.0008","25.313","0.002","11.1041","0.001","90","","105.097","0.009","90","","3180.3","0.5","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 Cl6 N3 O2 -","- C32 H27 Cl6 N3 O2 -","- C128 H108 Cl24 N12 O8 -","4","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","0.71073","MoKα","","0.0916","0.0668","","","0.1583","0.1756","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158200","11.5804","0.0004","12.1813","0.0006","12.9925","0.0005","101.203","0.004","101.376","0.003","103.039","0.003","1694.85","0.13","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 Cl6 N3 O2 -","- C36 H29 Cl6 N3 O2 -","- C72 H58 Cl12 N6 O4 -","2","1","","Ding, Weiwei; Zhang, Gang","Access to fused π-extended acridone derivatives through a regioselective oxidative demethylation.","Organic & biomolecular chemistry","2021","19","32","6985","6989","10.1039/d1ob01249e","","x-ray","1.54184","CuKα","","0.0564","0.0465","","","0.1186","0.1267","","","","","","1.038","","","","has coordinates","268928","2021-09-06","12:27:09",""
"7158201","11.613","0.002","10.494","0.002","15.562","0.003","90","","91.952","0.006","90","","1895.4","0.6","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.064","0.0436","","","0.1065","0.1138","","","","","","1.087","","","","has coordinates","268958","2021-09-06","12:37:51",""
"7158202","9.8974","0.0002","9.9589","0.0003","11.7524","0.0003","90.477","0.002","106.658","0.002","116.051","0.002","984.84","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O2 S2 -","- C21 H19 N O2 S2 -","- C42 H38 N2 O4 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0557","0.0457","","","0.1261","0.1339","","","","","","1.08","","","","has coordinates","268958","2021-09-06","12:37:56",""
"7158203","10.0494","0.0011","10.1081","0.001","10.9713","0.001","104.997","0.003","112.432","0.003","95.785","0.004","969.89","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C44 H36 Cl2 N2 O4 S2 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0402","0.0343","","","0.0882","0.0918","","","","","","1.048","","","","has coordinates","268958","2021-09-06","12:38:08",""
"7158204","20.5737","0.0008","6.0343","0.0002","14.7085","0.0008","90","","104.444","0.004","90","","1768.31","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0901","0.0555","","","0.1453","0.1692","","","","","","1.095","","","","has coordinates","268958","2021-09-06","12:38:16",""
"7158205","9.9875","0.0002","14.1732","0.0003","14.8341","0.0003","83.86","0.002","80.349","0.002","74.882","0.002","1994.06","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 N2 O4 S2 -","- C46 H42 N2 O4 S2 -","- C92 H84 N4 O8 S4 -","2","1","","Sandeep, K.; Siva Reddy, Alla; Kumara Swamy, K. C.","Palladium-catalysed cyclisation of ynamides and propargyl tethered iodosulfonamides with boronic acids leading to benzosultams.","Organic & biomolecular chemistry","2021","19","31","6871","6882","10.1039/d1ob00925g","","","0.71073","MoKα","","0.0852","0.0543","","","0.1371","0.1546","","","","","","1.086","","","","has coordinates","268958","2021-09-06","12:38:33",""
"7158206","12.7742","0.0002","7.1824","0.0001","15.7199","0.0002","90","","90","","90","","1442.29","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H14 I2 N2 -","- C12 H13.5 I2 N2 -","- C48 H54 I8 N8 -","4","0.5","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0222","0.0216","","","0.053","0.0535","","","","","","1.062","","","","has coordinates,has disorder","269785","2021-10-06","16:16:19",""
"7158207","8.3762","0.0004","14.1584","0.0007","14.0266","0.0007","90","","97.152","0.004","90","","1650.52","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 F3 I N2 O3 S -","- C13 H14 F3 I N2 O3 S -","- C52 H56 F12 I4 N8 O12 S4 -","4","1","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.026","0.0252","","","0.0653","0.0659","","","","","","1.049","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158208","14.6499","0.0002","16.45897","0.00018","28.2119","0.0004","90","","95.483","0.0012","90","","6771.39","0.15","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 I2 N2 -","- C7 H12 I2 N2 -","- C168 H288 I48 N48 -","24","3","","Sysoeva, Alexandra A.; Novikov, Alexander S.; Il'in, Mikhail V.; Suslonov, Vitalii V.; Bolotin, Dmitrii S.","Predicting the catalytic activity of azolium-based halogen bond donors: an experimentally-verified theoretical study.","Organic & biomolecular chemistry","2021","19","35","7611","7620","10.1039/d1ob01158h","","x-ray","1.54184","CuKα","","0.0441","0.0423","","","0.1134","0.1154","","","","","","1.05","","","","has coordinates","269785","2021-10-06","16:16:19",""
"7158209","5.8983","0.0001","15.4491","0.0002","15.8136","0.0003","90","","90","","90","","1440.99","0.04","303","2","303","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O S2 -","- C15 H11 F2 N O S2 -","- C60 H44 F8 N4 O4 S8 -","4","1","","Zhang, Yifang; Wang, Qian; Peng, Yi; Gong, Haiying; Chen, Hua; Deng, Hongmei; Hao, Jian; Wan, Wen","Metal-free, oxidative decarboxylation of aryldifluoroacetic acid with the formation of the ArS-CF<sub>2</sub> bond.","Organic & biomolecular chemistry","2021","19","32","7024","7030","10.1039/d1ob01165k","","","1.54178","CuKα","","0.0292","0.0291","","","0.0902","0.0904","","","","","","1.065","","","","has coordinates","268925","2021-09-06","12:26:17",""
"7158210","10.2144","0.0002","15.935","0.0005","17.0604","0.0004","90","","90","","90","","2776.86","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.69 H1.85 N0 O0.15 S0.15 -","- C2.69231 H1.84615 O0.153846 S0.153846 -","- C140 H96 O8 S8 -","52","13","","Yue, Yuanyuan; Chao, Junli; Wang, Zhiyue; Yang, Yan; Ye, Yaqing; Sun, Chunying; Guo, Xiaohui; Liu, Jianming","Electrooxidative double C-H/C-H coupling of phenols with 3-phenylbenzothiophenes: facile access to benzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","33","7156","7160","10.1039/d1ob01208h","","","1.54184","CuKα","","0.094","0.0778","","","0.281","0.2921","","","","","","0.992","","","","has coordinates","268933","2021-09-06","12:28:24",""
"7158211","11.359","0.003","12.15","0.003","19.406","0.005","90","","94.359","0.007","90","","2670.5","1.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,3'R,4'S)-3'-(3,4-dimethoxyphenyl)-1''-phenyl-5'-thioxodispiro[indene-2,2'-pyrrolidine-4',3''-pyrrolidine]-1,4'',5''(3H)-trione","","- C29 H24 N2 O5 S -","- C29 H24 N2 O5 S -","- C116 H96 N8 O20 S4 -","4","2","","Hou, Xi-Qiang; Wen, Jiang-Bo; Yan, Li; Du, Da-Ming","Squaramide-catalysed asymmetric Michael addition/cyclization cascade reaction of 4-arylmethylidene-2,3-dioxopyrrolidines with 2-isothiocyanato-1-indanones.","Organic & biomolecular chemistry","2021","19","33","7181","7185","10.1039/d1ob01223a","","","0.71073","MoKα","","0.0998","0.0674","","","0.1654","0.18","","","","","","0.966","","","","has coordinates","268932","2021-09-06","12:28:11",""
"7158212","3.9964","0.0003","38.647","0.003","8.7063","0.0005","90","","97.942","0.003","90","","1331.78","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ali, Saghir; Khan, Abu T.","Metal-free synthesis of quinoline-2,4-dicarboxylate derivatives using aryl amines and acetylenedicarboxylates through a pseudo three-component reaction.","Organic & biomolecular chemistry","2021","19","32","7041","7050","10.1039/d1ob01188j","","","0.71073","MoKα","","0.086","0.0587","","","0.1844","0.2032","","","","","","1.262","","","","has coordinates","268926","2021-09-06","12:26:32",""
"7158213","17.7971","0.0005","10.5432","0.0003","10.0972","0.0003","90","","90.796","0.003","90","","1894.44","0.09","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0605","0.0551","","","0.1427","0.1484","","","","","","1.047","","","","has coordinates","268930","2021-09-06","12:27:37",""
"7158214","9.4667","0.0004","10.6302","0.0004","12.236","0.0004","97.174","0.003","111.174","0.003","92.35","0.003","1134.28","0.08","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Liu, Fengting; Wang, Min; Qu, Jiatong; Lu, Haifeng; Gao, Hongyin","Synthesis of non-C<sub>2</sub> symmetrical NOBIN-type biaryls through a cascade N-arylation and [3,3]-sigmatropic rearrangement from O-arylhydroxylamines and diaryliodonium salts.","Organic & biomolecular chemistry","2021","19","33","7246","7251","10.1039/d1ob00636c","","x-ray","1.54184","CuKα","","0.0392","0.0349","","","0.0883","0.0912","","","","","","1.045","","","","has coordinates","268930","2021-09-06","12:27:49",""
"7158215","8.7634","0.0002","10.22041","0.00019","10.3147","0.0002","83.8073","0.0016","70.137","0.002","83.8485","0.0017","861.35","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N O2 -","- C22 H16 Br N O2 -","- C44 H32 Br2 N2 O4 -","2","1","","Aksenov, Alexander V.; Arutiunov, Nikolai A.; Kirilov, Nikita K.; Aksenov, Dmitrii A.; Grishin, Igor Yu; Aksenov, Nicolai A.; Wang, Huifen; Du, Liqin; Betancourt, Tania; Pelly, Stephen C.; Kornienko, Alexander; Rubin, Michael","[3 + 2]-Annulation of pyridinium ylides with 1-chloro-2-nitrostyrenes unveils a tubulin polymerization inhibitor.","Organic & biomolecular chemistry","2021","19","33","7234","7245","10.1039/d1ob01141c","","x-ray","1.54184","CuKα","","0.036","0.0345","","","0.0834","0.0845","","","","","","1.032","","","","has coordinates","268931","2021-09-06","12:28:00",""
"7158216","6.2068","0.0002","9.6747","0.0003","23.6894","0.0006","90","","90","","90","","1422.52","0.07","160","","160","","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0331","0.031","","","0.0733","0.075","","","","","","1.05","","","","has coordinates","268924","2021-09-06","12:26:10",""
"7158217","4.9824","0.0002","11.7685","0.0005","10.6674","0.0005","90","","101.617","0.002","90","","612.67","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","Rupestine D","Rupestine D","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0395","0.0383","","","0.1012","0.1025","","","","","","1.073","","","","has coordinates","268924","2021-09-06","12:26:11",""
"7158218","11.7384","0.001","5.679","0.005","12.3352","0.001","90","","116.405","0.018","90","","736.5","0.7","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H14 B F N2 O2 -","- C17 H14 B F N2 O2 -","- C34 H28 B2 F2 N4 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0468","0.0381","","","0.1074","0.1424","","","","","","1.052","","","","has coordinates","268951","2021-09-06","12:33:28",""
"7158219","5.2329","0.0002","24.0253","0.0011","21.2592","0.001","90","","95.778","0.003","90","","2659.2","0.2","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","aPh-BFPh","","- C31 H26 B Cl2 F N2 O2 -","- C31 H26 B Cl2 F N2 O2 -","- C124 H104 B4 Cl8 F4 N8 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8","Synchrotron","","0.0427","0.0424","","","0.1136","0.114","","","","","","1.07","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158220","8.886","0.003","11.226","0.004","17.787","0.004","90.896","0.008","98.176","0.006","110.456","0.015","1641.5","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B F N2 O4.5 -","- C18 H14 B F N2 O4.5 -","- C72 H56 B4 F4 N8 O18 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0582","0.053","","","0.1467","0.15","","","","","","1.029","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158221","11.069","0.003","30.848","0.009","17.795","0.005","90","","91.689","0.007","90","","6074","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H30 B N2 O5.5 -","- C34.5 H30 B N2 O5.5 -","- C276 H240 B8 N16 O44 -","8","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.1126","0.0737","","","0.1903","0.213","","","","","","1.127","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158222","5.237","0.001","8.7976","0.0015","34.892","0.005","90","","91.923","0.01","90","","1606.7","0.5","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.2164","0.0867","","","0.17","0.227","","","","","","0.943","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158223","9.206","0.013","20.92","0.05","13.58","0.02","90","","98.09","0.17","90","","2589","8","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H69 B F N3 O6 -","- C44 H69 B F N3 O6 -","- C88 H138 B2 F2 N6 O12 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.4275","Synchrotron","","0.0603","0.0544","","","0.1517","0.1714","","","","","","1.159","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158224","5.8897","0.0003","15.6222","0.0007","18.0449","0.0008","90","","96.961","0.003","90","","1648.07","0.13","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F N2 O4 -","- C18 H14 B F N2 O4 -","- C72 H56 B4 F4 N8 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.81088","Synchrotron","","0.0516","0.0457","","","0.1157","0.1194","","","","","","1.11","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158225","12.248","0.004","12.839","0.003","14.136","0.003","109.103","0.001","99.474","0.009","108.353","0.007","1902.8","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 B F N2 O5 -","- C20 H18 B F N2 O5 -","- C80 H72 B4 F4 N8 O20 -","4","2","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0396","0.0353","","","0.0966","0.0986","","","","","","1.082","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158226","12.2597","0.0005","18.3041","0.0007","15.13","0.0006","90","","90.384","0.003","90","","3395.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H49 B F N3 O4 -","- C34 H49 B F N3 O4 -","- C136 H196 B4 F4 N12 O16 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.78201","Synchrotron","","0.1254","0.0719","","","0.1741","0.2276","","","","","","1.091","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158227","8.819","0.004","19.343","0.007","22.015","0.008","90","","90","","90","","3755","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 B Cl F N3 O2 -","- C41 H50 B Cl F N3 O2 -","- C164 H200 B4 Cl4 F4 N12 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0555","0.0451","","","0.1221","0.1281","","","","","","1.061","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158228","10.015","0.0008","11.0473","0.0013","18.5628","0.0016","88.109","0.009","76.917","0.005","87.736","0.01","1998.3","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 B Cl3 F N5 O2 -","- C46.003 H46 B Cl3 F N5 O2 -","- C92.006 H92 B2 Cl6 F2 N10 O4 -","2","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.043","0.0369","","","0.1062","0.1091","","","","","","1.094","","","","has coordinates,has disorder","268951","2021-09-06","12:33:29",""
"7158229","14.507","0.003","9.3436","0.0017","14.134","0.003","90","","90","","90","","1915.8","0.7","95","2","95","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C21 H19 B N2 O5 -","- C21 H19 B N2 O5 -","- C84 H76 B4 N8 O20 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","0.8104","Synchrotron","","0.0552","0.0488","","","0.123","0.1302","","","","","","1.031","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158230","6.8865","0.0007","22.291","0.003","25.817","0.002","90","","90","","90","","3963.1","0.7","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 F N2 O3 -","- C26 H17 F N2 O3 -","- C208 H136 F8 N16 O24 -","8","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.0479","0.0378","","","0.097","0.1041","","","","","","1.038","","","","has coordinates","268950","2021-09-06","12:32:38",""
"7158231","17.799","0.003","9.2371","0.0019","18.139","0.003","90","","114.941","0.004","90","","2704.1","0.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C132 H104 N8 O16 -","4","1","","Yadav, Maruti B.; Jeong, Yeon Tae","A one-pot ring-closure and ring-opening sequence for the cascade synthesis of dihydrofurofurans and functionalized furans.","Organic & biomolecular chemistry","2021","19","34","7409","7419","10.1039/d1ob01300a","","","0.71073","MoKα","","0.2063","0.0629","","","0.1336","0.2023","","","","","","0.989","","","","has coordinates","268950","2021-09-06","12:32:49",""
"7158232","6.2951","0.0002","7.8493","0.0003","16.3441","0.0005","80.613","0.003","85.44","0.003","89.52","0.003","794.25","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C36 H44 N4 O4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0501","0.0464","","","0.131","0.1353","","","","","","1.074","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158233","5.3374","0.0001","17.4593","0.0002","16.6786","0.0002","90","","93.097","0.001","90","","1551.96","0.04","246","16","246","16","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 S2 -","- C16 H18 N2 S2 -","- C64 H72 N8 S8 -","4","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0373","0.036","","","0.1026","0.1037","","","","","","1.047","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158234","8.253","0.0002","8.2551","0.0002","14.7902","0.0002","94.559","0.002","102.195","0.002","117.627","0.003","854.1","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C40 H52 N4 -","2","1","","Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram","Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.","Organic & biomolecular chemistry","2021","19","33","7147","7151","10.1039/d1ob01218e","","x-ray","1.54184","CuKα","","0.0614","0.0602","","","0.1621","0.163","","","","","","1.038","","","","has coordinates","268934","2021-09-06","12:28:37",""
"7158235","16.1778","0.001","11.4254","0.0007","18.2577","0.0011","90","","90","","90","","3374.7","0.4","182","","182","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H17 F3 O2 -","- C22 H17 F3 O2 -","- C176 H136 F24 O16 -","8","1","","Gao, Wangxi; Niu, Lixin; Wang, Tao; Liang, Yong; Wang, Ding; Zhang, Zunting","Synthesis of cis/trans-dihydrochromenones via a photoinduced rearrangement of 4-phenyl-3-aryl/cyclohexenylcoumarins.","Organic & biomolecular chemistry","2021","19","33","7176","7180","10.1039/d1ob01058a","","","0.71073","MoKα","","0.0387","0.0337","","","0.089","0.0931","","","","","","1.053","","","","has coordinates","268937","2021-09-06","12:29:00",""
"7158236","9.42743","0.00015","9.8509","0.0002","24.0927","0.0004","90","","90","","90","","2237.46","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Yang, Zinan; He, Huakang; Tian, Rui; Wu, Ruoran; Hu, Sheng; Wu, Yue; Zhou, Hui","A zinc/PyBisulidine catalyzed asymmetric Mannich reaction of N-tosyl imines with 3-acyloxy-2-oxindoles","Organic & Biomolecular Chemistry","2021","19","34","7460","7469","10.1039/D1OB01328A","","x-ray","1.54184","CuKα","","0.0561","0.0498","","","0.1295","0.1366","","","","","","1.041","","","","has coordinates","268953","2021-09-06","12:33:45",""
"7158237","6.4713","0.0009","9.6298","0.0012","48.285","0.007","90","","90","","90","","3009","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0418","0.0393","","","0.1197","0.1214","","","","","","0.969","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158238","6.5171","0.0003","9.8455","0.0006","48.456","0.003","90","","90","","90","","3109.1","0.3","302","2","302","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0908","0.0489","","","0.12","0.1455","","","","","","0.819","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158239","9.5302","0.0003","9.5302","0.0003","19.3236","0.0005","90","","90","","90","","1755.06","0.09","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C19 H17 F N2 O5 -","- C19 H17 F N2 O5 -","- C76 H68 F4 N8 O20 -","4","1","","Chen, Huiqing; Tang, Jie; Liu, Ting; Yu, Li-Fang; Xing, Dong; Yang, Fan","Enantioselective synthesis of chiral 3-alkyl-3-nitro-4-chromanones via chiral thiourea-catalysed intramolecular Michael-type cyclization.","Organic & biomolecular chemistry","2021","19","34","7403","7408","10.1039/d1ob01296g","","","1.54178","CuKα","","0.0307","0.029","","","0.0713","0.0726","","","","","","1.048","","","","has coordinates","268949","2021-09-06","12:32:25",""
"7158240","11.7188","0.0009","11.8757","0.0009","13.5901","0.001","90","","90","","90","","1891.3","0.2","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H10 Br I N2 -","- C6 H10 Br I N2 -","- C48 H80 Br8 I8 N16 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0382","0.0263","","","0.061","0.0696","","","","","","1.111","","","","has coordinates","269786","2021-10-06","16:16:39",""
"7158241","15.7331","0.0003","13.3955","0.0003","23.5749","0.0005","90","","90","","90","","4968.47","0.18","100","1","100","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 I6 N4 -","- C12 H20 I6 N4 -","- C96 H160 I48 N32 -","8","1","","Alvarez, Marie Stacey; Houzé, Cedric; Groni, Sihem; Schöllhorn, Bernd; Fave, Claire","Halogen bonding effect on electrochemical anion oxidation in ionic liquids.","Organic & biomolecular chemistry","2021","19","35","7587","7593","10.1039/d1ob01031j","","","0.71073","MoKα","","0.0371","0.0267","","","0.0573","0.0626","","","","","","1.051","","","","has coordinates,has disorder","269786","2021-10-06","16:16:39",""
"7158242","4.34","0.0009","25.45","0.005","11.54","0.002","90","","99.909","0.012","90","","1255.6","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N7 -","- C13 H9 N7 -","- C52 H36 N28 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.79313","synchrotron","","0.1306","0.0572","","","0.1423","0.1853","","","","","","1.013","","","","has coordinates","269769","2021-10-06","16:12:43",""
"7158243","7.2746","0.001","13.4066","0.0018","10.9808","0.0016","90","","95.693","0.003","90","","1065.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0718","0.049","","","0.1233","0.1388","","","","","","1.035","","","","has coordinates","269769","2021-10-06","16:12:53",""
"7158244","6.0935","0.0001","9.7182","0.0002","22.0737","0.0005","90","","90.354","0.001","90","","1307.13","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 N5 -","- C17 H11 N5 -","- C68 H44 N20 -","4","1","","Tsyrenova, Biligma D.; Khrustalev, Victor N.; Nenajdenko, Valentine G.","Synthesis of blue light emitting heterocycles <i>via</i> cyclization of 2-pyridine derived 4-azido-r1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","37","8140","8152","10.1039/d1ob01084k","","","0.71073","MoKα","","0.0685","0.0472","","","0.1213","0.1382","","","","","","1.024","","","","has coordinates,has disorder","269769","2021-10-06","16:12:54",""
"7158245","12.4916","0.0003","14.1803","0.0003","18.3463","0.0005","90","","103.83","0.007","90","","3155.55","0.16","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 I2 O4 -","- C34 H28 I2 O4 -","- C136 H112 I8 O16 -","4","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0864","0.0705","","","0.1979","0.2089","","","","","","1.128","","","","has coordinates,has disorder","269789","2021-10-06","16:17:13",""
"7158246","23.5796","0.0015","15.5436","0.001","11.2836","0.0008","90","","102.796","0.007","90","","4032.9","0.5","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","0.5","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.1366","0.1266","","","0.3261","0.3326","","","","","","1.261","","","","has coordinates,has disorder","269789","2021-10-06","16:17:23",""
"7158247","10.913","0.004","7.442","0.003","16.072","0.005","90","","101.62","0.03","90","","1278.5","0.8","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H28 O4 -","- C34 H28 O4 -","- C68 H56 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54178","CuKα","","0.2178","0.1184","","","0.2748","0.3523","","","","","","0.933","","","","has coordinates","269789","2021-10-06","16:17:28",""
"7158248","10.24137","0.00019","11.9283","0.0002","13.3381","0.0002","113.529","0.008","109.913","0.008","93.193","0.007","1369.46","0.15","104","","104","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 I O4 -","- C34 H29 I O4 -","- C68 H58 I2 O8 -","2","1","","Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi","Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine.","Organic & biomolecular chemistry","2021","19","35","7594","7597","10.1039/d1ob01270c","","","1.54187","CuKα","","0.0365","0.0357","","","0.0915","0.092","","","","","","1.077","","","","has coordinates","269789","2021-10-06","16:17:37",""
"7158250","10.0469","0.0001","10.3794","0.0002","16.33","0.0003","90","","90","","90","","1702.91","0.05","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.0326","0.0308","","","0.0818","0.0831","","","","","","1.017","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158251","10.7269","0.0001","10.7269","0.0001","14.5422","0.0003","90","","90","","90","","1673.32","0.04","170","0.1","170","0.1","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.033","0.0279","","","0.056","0.0574","","","","","","1.06","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158252","10.6034","0.0008","12.769","0.0011","10.619","0.0009","90","","110.867","0.009","90","","1343.5","0.2","297","","297","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1017","0.0611","","","0.1172","0.1372","","","","","","1.061","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158253","9.8768","0.001","9.9849","0.0014","10.2735","0.0014","106.386","0.012","91.697","0.01","116.134","0.012","858.6","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 Cl N2 -","- C23 H15 Cl N2 -","- C46 H30 Cl2 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0975","0.0528","","","0.1062","0.1296","","","","","","1.021","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158254","9.9767","0.0011","10.2","0.0011","10.3359","0.0012","107.613","0.01","91.055","0.009","117.427","0.011","874.2","0.2","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 O2 -","- C23 H15 N3 O2 -","- C46 H30 N6 O4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1216","0.0626","","","0.1243","0.1541","","","","","","1.017","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158255","10.052","0.0009","10.4783","0.0011","18.7614","0.0015","90","","93.129","0.008","90","","1973.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl N2 -","- C25 H19 Cl N2 -","- C100 H76 Cl4 N8 -","4","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.0934","0.056","","","0.1132","0.1327","","","","","","1.035","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158256","9.9393","0.0011","10.0786","0.0016","10.2828","0.0011","106.688","0.012","91.551","0.009","116.591","0.013","867.6","0.2","297","","297","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H18 N2 -","- C24 H18 N2 -","- C48 H36 N4 -","2","1","","Yang, Kai; Luo, Shi-He; Chen, Si-Hong; Cao, Xi-Ying; Zhou, Yong-Jun; Lin, Yan-Lan; Huo, Yan-Ping; Wang, Zhao-Yang","Simple inorganic base promoted C-N and C-C formation: synthesis of benzo[4,5]imidazo[1,2-<i>a</i>]pyridines as functional AIEgens used for detecting picric acid.","Organic & biomolecular chemistry","2021","19","37","8133","8139","10.1039/d1ob01424b","","x-ray","0.71073","MoKα","","0.1015","0.0544","","","0.1159","0.1464","","","","","","1.05","","","","has coordinates","269770","2021-10-06","16:13:03",""
"7158257","13.1197","0.0004","15.7488","0.0005","16.2572","0.0005","103.53","0.0009","99.6156","0.0009","105.348","0.0009","3054.01","0.17","200","","200","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H71 N O14 S5 -","- C59 H71 N O14 S5 -","- C118 H142 N2 O28 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0395","0.038","","0.1041","0.1024","0.1038","","","","","","0.9754","","","","has coordinates,has disorder","269774","2021-10-06","16:13:45",""
"7158258","13.12948","0.00015","14.11541","0.00019","19.1344","0.0002","94.9881","0.001","105.935","0.001","114.83","0.0012","3010.41","0.08","95","","95","","","","101","","","","","5","P -1","-P 1","2","","","","- C55.3 H71.91 N3.3 O16.6 S5 -","- C55.3022 H71.9066 N3.3022 O16.6044 S5 -","- C110.604 H143.813 N6.6044 O33.2088 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54184","CuKα","","0.0299","0.0281","","0.0761","0.0745","0.0761","","","","","","0.9678","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158259","15.2602","0.001","15.3461","0.001","15.8961","0.001","111.084","0.002","108.289","0.002","93.047","0.002","3239.5","0.4","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 N4 O20 S5 -","- C58 H78 N4 O20 S5 -","- C116 H156 N8 O40 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","0.71073","MoKα","","0.0499","0.0408","","0.1083","0.1034","0.1083","","","","","","1.0078","","","","has coordinates","269774","2021-10-06","16:13:46",""
"7158260","15.8648","0.0005","13.9916","0.0003","19.6709","0.0006","90","","95.999","0.003","90","","4342.5","0.2","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 O12 S4 -","- C42 H50 O12 S4 -","- C168 H200 O48 S16 -","4","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0392","0.0345","","0.0942","0.0898","0.0942","","","","","","0.9893","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158261","13.7779","0.0004","14.4703","0.0004","14.6125","0.0004","81.1803","0.0012","76.6391","0.001","63.6398","0.001","2535.42","0.13","180","","180","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H64 O12 S5 -","- C48 H64 O12 S5 -","- C96 H128 O24 S10 -","2","1","","Landovský, Tomáš; Babor, Martin; Čejka, Jan; Eigner, Václav; Dvořáková, Hana; Krupička, Martin; Lhoták, Pavel","Nucleophile-induced transformation of phenoxathiin-based thiacalixarenes.","Organic & biomolecular chemistry","2021","19","37","8075","8085","10.1039/d1ob01487k","","","1.54178","CuKα","","0.0604","0.0523","","0.1406","0.1332","0.1406","","","","","","0.9935","","","","has coordinates,has disorder","269774","2021-10-06","16:13:46",""
"7158262","36.302","0.008","17.985","0.004","8.873","0.002","90","","90","","90","","5793","2","293","2","293.06","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C33 H32 O -","- C33 H32 O -","- C264 H256 O8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1704","0.0989","","","0.2551","0.3205","","","","","","0.995","","","","has coordinates,has disorder","269779","2021-10-06","16:15:30",""
"7158263","18.4643","0.0012","8.6875","0.0006","32.046","0.002","90","","90","","90","","5140.5","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H27 F -","- C35 H27 F -","- C280 H216 F8 -","8","1","","Feng, Yi-Man; Nie, Xiao-Di; Sun, Jian-Ting; Xu, Wen-Ke; Wei, Bang-Guo","TMSOTf-mediated synthesis of skipped dienes through the addition of olefins to imines and semicyclic <i>N</i>,<i>O</i>-acetals.","Organic & biomolecular chemistry","2021","19","36","7883","7893","10.1039/d1ob01370j","","","0.71073","MoKα","","0.1079","0.0524","","","0.1","0.1268","","","","","","1.078","","","","has coordinates,has disorder","269779","2021-10-06","16:15:31",""
"7158264","4.5418","0.0003","10.9707","0.0007","11.8989","0.0006","109.638","0.004","92.037","0.004","101.081","0.005","544.76","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Br N O3 -","- C9 H14 Br N O3 -","- C18 H28 Br2 N2 O6 -","2","1","","Chen, Xiao Yun; Yuan, Shuxia; Chen, Yan; Sun, Chenyang; Tang, Yaonan; Chen, Guang; Zhu, Baocheng; Chen, Kaiwei; Zheng, Shaojun; Cheng, Xiaofang","Solvent-controlled two-step one-pot syntheses of α-X (X = Br or Cl) enamino ketones/esters and 3-(2,5-dioxopyrrolidin-1-yl)acrylate by using terminal carbonyl alkynes.","Organic & biomolecular chemistry","2021","19","36","7914","7919","10.1039/d1ob01308d","","","0.71073","MoKα","","0.0451","0.0355","","","0.0907","0.0953","","","","","","1.038","","","","has coordinates","269778","2021-10-06","16:15:18",""
"7158265","8.8556","0.0003","6.92143","0.00019","9.428","0.0003","90","","111.887","0.004","90","","536.22","0.03","99.9","0.2","99.9","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C26 H26 N2 O4 -","2","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0404","0.0399","","","0.1079","0.1086","","","","","","1.054","","","","has coordinates","268952","2021-09-06","12:33:37",""
"7158266","6.94293","0.00012","9.02763","0.00016","18.0531","0.0003","90","","90","","90","","1131.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0822","0.0824","","","","","","1.05","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158267","6.956","0.0002","8.4636","0.0003","19.6496","0.0006","90","","90","","90","","1156.83","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0374","0.0366","","","0.0984","0.0993","","","","","","1.055","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158268","6.8325","0.0003","15.642","0.0008","8.9374","0.0005","90","","92.861","0.005","90","","953.98","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C48 H36 N4 O2 S2 -","2","1","","Li, Chen-Yi; Xiang, Min; Zhang, Jian; Li, Wen-Sheng; Zou, Ying; Tian, Fang; Wang, Li-Xin","Organocatalytic enantioselective aza-Friedel-Crafts reaction between benzothiazolimines and 2-naphthols for the preparation of chiral 2'-aminobenzothiazolomethyl naphthols.","Organic & biomolecular chemistry","2021","19","35","7690","7694","10.1039/d1ob01443a","","x-ray","1.54184","CuKα","","0.0676","0.0566","","","0.1347","0.1433","","","","","","1.048","","","","has coordinates","269788","2021-10-06","16:16:55",""
"7158269","7.5321","0.0003","8.0983","0.0003","9.2836","0.0004","71.4315","0.0018","73.3773","0.0017","66.8118","0.0019","484.97","0.03","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H14 N4 -","- C10 H14 N4 -","- C20 H28 N8 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","1.54178","CuKα","","0.0492","0.0459","","","0.1321","0.1352","","","","","","1.126","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158270","16.5743","0.0011","4.646","0.0003","12.7547","0.0009","90","","97.57","0.003","90","","973.61","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N4 O2 -","- C20 H30 N4 O2 -","- C40 H60 N8 O4 -","2","0.5","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.0699","0.0455","","","0.1177","0.1316","","","","","","1.034","","","","has coordinates,has disorder","269787","2021-10-06","16:16:49",""
"7158271","8.297","0.0003","9.2575","0.0003","15.0135","0.0005","87.5026","0.0018","80.0574","0.0019","64.7954","0.0017","1027.14","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H32 N4 O2 -","- C21 H32 N4 O2 -","- C42 H64 N8 O4 -","2","1","","Al Isawi, Wisam A.; Salome, Austin Z.; Ahmed, Basil M.; Zeller, Matthias; Mezei, Gellert","Selective binding of anions by rigidified nanojars: sulfate <i>vs.</i> carbonate.","Organic & biomolecular chemistry","2021","19","35","7641","7654","10.1039/d1ob01318a","","","0.71073","MoKα","","0.1287","0.0491","","","0.1221","0.1428","","","","","","1.035","","","","has coordinates","269787","2021-10-06","16:16:49",""
"7158272","8.7553","0.0002","6.4721","0.0003","28.2921","0.001","90","","97.357","0.003","90","","1589.98","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Cl F3 O2 S2 -","- C15 H12 Cl F3 O2 S2 -","- C60 H48 Cl4 F12 O8 S8 -","4","1","","Li, Jiuling; Li, Bin; Chen, Juan; Jia, Xinyu; Wang, Min; Hao, Chengjun; Zheng, Xinhua; Dai, Hongmei; Hu, Wenhao","Catalyst-free <i>gem</i>-chlorosulfurization of difluoromethyl-substituted diazo compounds with disulfide and PhICl<sub>2</sub>.","Organic & biomolecular chemistry","2021","19","37","8030","8034","10.1039/d1ob01422f","","x-ray","1.54184","CuKα","","0.0774","0.0565","","","0.1334","0.1449","","","","","","1.052","","","","has coordinates,has disorder","269771","2021-10-06","16:13:09",""
"7158273","7.7741","0.0004","11.2133","0.0006","13.2379","0.0007","71.466","0.001","74.538","0.001","81.457","0.001","1051.97","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(4-Bromophenyl)-3-methoxy-3-oxoprop-1-en-2-yl)-1H-indole-3-carboxylic acid","","- C22 H20 Br N O5 -","- C22 H20 Br N O5 -","- C44 H40 Br2 N2 O10 -","2","1","","Ramos-Orea, Aldahir; Ramírez-Apan, Teresa; Chávez-Santos, Rosa María; Aguayo-Ortiz, Rodrigo; Espitia, Clara; Silva Miranda, Mayra; Torres-Ochoa, Rubén O; Martínez, Roberto","Total syntheses and antiproliferative activities of prenostodione and its analogues.","Organic & biomolecular chemistry","2021","19","38","8272","8280","10.1039/d1ob00897h","","","0.71073","MoKα","","0.1013","0.0478","","","0.0897","0.1067","","","","","","1.011","","","","has coordinates","270513","2021-11-06","20:43:53",""
"7158274","6.2592","0.0003","14.9217","0.0007","13.9603","0.0005","90","","95.929","0.002","90","","1296.89","0.1","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 F2 N2 O3 -","- C12 H10 F2 N2 O3 -","- C48 H40 F8 N8 O12 -","4","1","","Wang, Qian; Gong, Haiying; Zhang, Yifang; Peng, Yi; Chen, Hua; Li, Mingjie; Deng, Hongmei; Hao, Jian; Wan, Wen","Visible-light mediated stereospecific C(sp<sup>2</sup>)-H difluoroalkylation of (<i>Z</i>)-aldoximes.","Organic & biomolecular chemistry","2021","19","36","7867","7874","10.1039/d1ob01401c","","","0.71073","MoKα","","0.0963","0.0577","","","0.1573","0.1911","","","","","","1.041","","","","has coordinates","269780","2021-10-06","16:15:43",""
"7158275","7.2273","0.0005","10.1947","0.0006","10.5388","0.0007","90.94","0.002","96.739","0.002","101.524","0.002","754.96","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Peyonine","1-(3,4,5-trimethoxyphenethyl)-1H-pyrrole-2-carboxylic acid","","- C32 H38 N2 O10 -","- C32 H38 N2 O10 -","- C32 H38 N2 O10 -","1","0.5","","Rao, Maddali L. N.; Islam, Sk Shamim; Dasgupta, Priyabrata","Copper-catalyzed domino synthesis of ynamines.","Organic & biomolecular chemistry","2021","19","36","7855","7860","10.1039/d1ob01383a","","","0.71073","MoKα","","0.0698","0.0446","","","0.0973","0.1069","","","","","","1.032","","","","has coordinates","269781","2021-10-06","16:15:49",""
"7158276","27.3068","0.0011","7.9003","0.0003","18.7137","0.0008","90","","108.028","0.001","90","","3838.9","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H17 Cl N2 O4 -","- C21 H17 Cl N2 O4 -","- C168 H136 Cl8 N16 O32 -","8","1","","Ramaraju, Andhavaram; Upare, Atul; Blanch, Ewan W.; Maniam, Subashani; Sridhar, Balasubramanian; Bathula, Surendar Reddy; Raji Reddy, Chada","Chemoselective [3 + 2] annulation of oxime acetate with 2-aryl-3-ethoxycarbonyl-pyrroline-4,5-dione: an entry to pyrrolo[2,3-<i>b</i>]pyrrole derivatives.","Organic & biomolecular chemistry","2021","19","36","7875","7882","10.1039/d1ob00990g","","","0.71073","MoKα","","0.089","0.0808","","","0.2084","0.2161","","","","","","1.102","","","","has coordinates,has disorder","269783","2021-10-06","16:16:03",""
"7158277","19.2136","0.0002","10.6907","0.0001","8.1348","0.0001","90","","98.4","0.001","90","","1653.02","0.03","110","15","110","15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Liao, Shengrong; Xu, Huayan; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Lin, Xiuping; Liu, Yonghong","Gold-catalyzed oxidation of terminal alkynes to glyoxals and their reactions with 2-phenylimidazo[1,2-<i>a</i>]pyridines: one-pot synthesis of 1,2-diones.","Organic & biomolecular chemistry","2021","19","40","8735","8739","10.1039/d1ob01507a","","x-ray","1.54184","CuKα","","0.0421","0.0392","","","0.1096","0.1121","","","","","","1.068","","","","has coordinates","270508","2021-11-06","20:42:44",""
"7158278","25.3513","0.0005","13.438","0.0007","9.4134","0.0012","90","","90","","90","","3206.9","0.4","250","2","250","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","2","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1163","0.072","","","0.1638","0.2001","","","","","","1.026","","","","has coordinates,has disorder","269773","2021-10-06","16:13:29",""
"7158279","13.0488","0.0006","7.7427","0.0005","10.6551","0.0005","90","","90","","90","","1076.52","0.1","250","2","250","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.043","0.0295","","","0.0685","0.0732","","","","","","1.032","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158280","7.0872","0.0008","12.3506","0.0016","16.599","0.002","90","","90","","90","","1452.9","0.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1384","0.0471","","","0.0857","0.114","","","","","","0.964","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158281","4.787","0.007","13.87","0.02","21.66","0.02","72.77","0.05","90","","90","","1374","3","273.15","","273.15","","","","","","","","","3","P -1","-P 1","2","","GSCBS5_265","","- C34 H36 O2 -","- C34 H36 O2 -","- C68 H72 O4 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.5151","0.1342","","","0.2736","0.5038","","","","","","0.838","","","","has coordinates","270514","2021-11-06","20:44:00",""
"7158282","8.4709","0.0003","9.983","0.0003","11.1522","0.0004","72.48","0.001","75.864","0.001","69.734","0.001","833.28","0.05","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.0734","0.0454","","","0.1116","0.1253","","","","","","1.039","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158283","8.2775","0.0007","5.2464","0.0005","17.4065","0.0011","90","","92.906","0.007","90","","754.94","0.11","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 Br O -","- C17 H17 Br O -","- C34 H34 Br2 O2 -","2","1","","Chinnabattigalla, Sreenivasulu; Choudhury, Aditya; Gedu, Satyanarayana","[Pd]-Catalyzed <i>para</i>-selective allylation of phenols: access to 4-[(<i>E</i>)-3-aryl/alkylprop-2-enyl]phenols.","Organic & biomolecular chemistry","2021","19","38","8259","8263","10.1039/d1ob01489g","","","0.71073","MoKα","","0.122","0.0554","","","0.1538","0.2172","","","","","","0.977","","","","has coordinates","270514","2021-11-06","20:44:01",""
"7158284","10.3698","0.0004","12.1098","0.0005","29.2861","0.0012","90","","92.224","0.002","90","","3674.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F3 O2 -","- C21 H17 F3 O2 -","- C168 H136 F24 O16 -","8","2","","Priyanka, Chiliveru; Subbarao, Muppidi; Punna, Nagender","Palladium-catalyzed <i>ortho</i>-vinylation of β-naphthols with α-trifluoromethyl allyl carbonates: one-pot access to naphtho[2,1-<i>b</i>]furans.","Organic & biomolecular chemistry","2021","19","38","8241","8245","10.1039/d1ob01429c","","","0.71073","MoKα","","0.1083","0.0671","","","0.181","0.2111","","","","","","1.04","","","","has coordinates","270515","2021-11-06","20:44:07",""
"7158285","7.0134","0.0004","7.0858","0.0005","15.5319","0.001","96.28","0.004","90.168","0.004","104.398","0.004","742.77","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl N O S -","- C4.75 H2.75 N0.25 O0.5 S0.25 -","- C38 H22 N2 O4 S2 -","8","4","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.0806","0.0552","","","0.1578","0.1838","","","","","","0.837","","","","has coordinates","269775","2021-10-06","16:13:56",""
"7158286","29.725","0.002","29.725","0.002","7.0358","0.0008","90","","90","","90","","6216.7","0.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C304 H224 N32 O32 -","16","1","","Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar","Sodium sulphide promoted synthesis of fused quinoline at room temperature.","Organic & biomolecular chemistry","2021","19","37","8108","8112","10.1039/d1ob01085a","","","0.71073","MoKα","","0.1242","0.0587","","","0.1524","0.1871","","","","","","0.942","","","","has coordinates","269775","2021-10-06","16:14:05",""
"7158287","6.59045","0.00005","19.69096","0.00012","23.49012","0.00017","90","","90","","90","","3048.37","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H23 Br O6 -","- C35 H23 Br O6 -","- C140 H92 Br4 O24 -","4","2","","Yan, Juzhang; Zheng, Xiurong; Zheng, Yangqing; Zhan, Ruoting; Huang, Huicai","Asymmetric Michael reaction of 3-homoacyl coumarins with chromone-fused dienes toward enantioenriched coumarin chromone skeletons.","Organic & biomolecular chemistry","2021","19","37","8102","8107","10.1039/d1ob01200b","","x-ray","1.54184","CuKα","","0.0467","0.0453","","","0.1279","0.1293","","","","","","1.045","","","","has coordinates","269777","2021-10-06","16:14:21",""
"7158288","8.1289","0.0007","10.9783","0.0011","17.3875","0.0016","82.153","0.003","79.194","0.003","71.829","0.003","1443.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N4 O -","- C17 H16 N4 O -","- C68 H64 N16 O4 -","4","2","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0623","0.0452","","","0.1072","0.1179","","","","","","1.035","","","","has coordinates","270501","2021-11-06","20:41:42",""
"7158289","8.275","0.006","9.736","0.009","16.38","0.015","90","","90","","90","","1320","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(pyridin-4-ylmethyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0378","0.0338","","","0.0897","0.0931","","","","","","1.077","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158290","7.6364","0.0012","24.214","0.004","8.2875","0.0013","90","","108.818","0.007","90","","1450.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2-methylbenzyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.113","0.0549","","","0.1033","0.1229","","","","","","1.034","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158291","7.061","0.003","16.611","0.008","19.595","0.009","65.759","0.01","87.399","0.011","80.205","0.01","2064.3","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N3 O -","- C17 H15 N3 O -","- C102 H90 N18 O6 -","6","3","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0865","0.051","","","0.1176","0.1402","","","","","","1.037","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158292","8.7091","0.0006","24.6511","0.0016","9.7352","0.0007","90","","94.492","0.003","90","","2083.6","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N6 O9 -","- C16 H26 N6 O9 -","- C64 H104 N24 O36 -","4","1","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.0561","0.0511","","","0.1429","0.148","","","","","","1.024","","","","has coordinates","270506","2021-11-06","20:42:14",""
"7158293","44.553","0.004","4.9317","0.0004","15.7652","0.0015","90","","90.399","0.006","90","","3463.9","0.5","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H56 N6 O4 -","- C32 H56 N6 O4 -","- C128 H224 N24 O16 -","4","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","1.54178","CuKα","","0.1406","0.1242","","","0.2927","0.3011","","","","","","1.122","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158294","11.0587","0.0019","14.955","0.003","8.8548","0.0015","90","","101.133","0.002","90","","1436.9","0.5","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 N6 O12 -","- C24 H40 N6 O12 -","- C48 H80 N12 O24 -","2","0.5","","Lohrman, Jessica; Pramanik, Subhamay; Kaur, Sandeep; Telikepalli, Hanumaiah; Day, Victor W.; Bowman-James, Kristin","Hydrophilic and hydrophobic carboxamide pincers as anion hosts.","Organic & biomolecular chemistry","2021","19","39","8516","8520","10.1039/d1ob01605a","","","0.71073","MoKα","","0.1009","0.0512","","","0.1084","0.1334","","","","","","1.025","","","","has coordinates","270506","2021-11-06","20:42:15",""
"7158295","10.9301","0.0007","12.0124","0.0011","16.8138","0.0012","69.946","0.008","72.758","0.006","64.698","0.008","1845.4","0.3","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N3 O -","- C20 H27 N3 O -","- C80 H108 N12 O4 -","4","2","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.0883","0.081","","","0.245","0.2503","","","","","","1.048","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158296","7.80574","0.00008","34.1537","0.0003","9.6271","0.00009","90","","95.7493","0.0009","90","","2553.63","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N4 O3 S -","- C26 H36 N4 O3 S -","- C104 H144 N16 O12 S4 -","4","1","","Bormann, Carl Thomas; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay","Synthesis of bicyclic vinyl triazenes by Ficini-type reactions.","Organic & biomolecular chemistry","2021","19","37","8113","8117","10.1039/d1ob01546j","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.0799","0.0816","","","","","","1.022","","","","has coordinates","269772","2021-10-06","16:13:16",""
"7158297","9.3141","0.0001","7.60332","0.0001","20.7811","0.0002","90","0.0009","93.9407","0.0009","90","0.001","1468.2","0.03","297.4","0.3","297.4","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Bandyopadhyay, Debashruti; Thirupathi, Annaram; Radhakrishnan, Divya; Panigrahi, Adyasha; Peruncheralathan, S.","Triflic acid-mediated N-heteroannulation of β-anilino-β-(methylthio)acrylonitriles: a facile synthesis of 4-amino-2-(methylthio)quinolines.","Organic & biomolecular chemistry","2021","19","39","8544","8553","10.1039/d1ob01151k","","x-ray","1.54184","CuKα","","0.0434","0.0414","","","0.1172","0.1186","","","","","","1.038","","","","has coordinates","270505","2021-11-06","20:42:07",""
"7158298","11.069","0.002","19.863","0.004","14.418","0.003","90","","93.29","0.03","90","","3164.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","1,9-bis-(4-nitrophenyl)urea-9(10H)-acridinone","","- C31 H31 N7 O9 S2 -","- C31 H31 N7 O9 S2 -","- C124 H124 N28 O36 S8 -","4","1","","McNaughton, Daniel A.; Macreadie, Lauren K.; Gale, Philip A.","Acridinone-based anion transporters.","Organic & biomolecular chemistry","2021","19","44","9659","9674","10.1039/d1ob01545a","","","0.71073","synchrotron","","0.1187","0.1079","","","0.3095","0.3192","","","","","","1.034","","","","has coordinates,has disorder","271208","2021-12-07","03:50:10",""
"7158299","6.062","0.002","12.279","0.005","13.666","0.005","75.605","0.008","86.331","0.008","89.054","0.009","983.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","(5S,10R)-8-(4-Bromophenyl)-6-imino-4-methyl-1-oxo-10-phenyl-2-oxa-3-azaspiro[4.5]de ca-3,7-diene-7-carbonitrile","","- C22 H16 Br N3 O2 -","- C22 H16 Br N3 O2 -","- C44 H32 Br2 N6 O4 -","2","2","","Wang, Yu; Niu, Cheng; Xie, Dong-Hua; Du, Da-Ming","A bifunctional squaramide-catalysed enantioselective vinylogous Michael addition/cyclization cascade reaction of 4-unsaturated isoxazol-5-ones and α,α-dicyanoalkenes.","Organic & biomolecular chemistry","2021","19","39","8572","8577","10.1039/d1ob01256h","","","0.71073","MoKα","","0.1278","0.0433","","","0.0777","0.0977","","","","","","0.901","","","","has coordinates","270504","2021-11-06","20:42:00",""
"7158300","7.0824","0.0005","9.9984","0.0008","11.3089","0.0009","113.621","0.008","101.541","0.007","100.342","0.007","688.15","0.11","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","- C29 H24 Br F3 N2 O5 -","1","1","","Wang, Rui-Li; Jia, Shi-Kun; Guo, Ya-Jun; Yi, Yang; Hua, Yuan-Zhao; Lu, Hui-Jie; Wang, Min-Can","Dinuclear zinc-catalyzed enantioselective formal [3 + 2] cycloaddition of <i>N</i>-2,2,2-trifluoroethylisatin ketimines with low reactivity aurone derivatives.","Organic & biomolecular chemistry","2021","19","39","8492","8496","10.1039/d1ob01599k","","","1.54184","CuKα","","0.0595","0.0487","","","0.1188","0.1303","","","","","","1.028","","","","has coordinates","270502","2021-11-06","20:41:48",""
"7158301","10.0685","0.0003","10.1743","0.0003","20.3368","0.0006","90","","90","","90","","2083.3","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.076","0.0523","","","0.1299","0.1456","","","","","","1.029","","","","has coordinates","270493","2021-11-06","20:40:32",""
"7158302","10.1003","0.0003","10.1984","0.0003","20.2551","0.0005","90","","90","","90","","2086.42","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0834","0.0625","","","0.1803","0.1969","","","","","","1.067","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158303","10.1047","0.0002","10.1997","0.0003","20.2588","0.0005","90","","90","","90","","2087.97","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0837","0.0604","","","0.1758","0.1937","","","","","","1.079","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158304","10.0659","0.0002","10.174","0.0003","20.3251","0.0005","90","","90","","90","","2081.5","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.1279","0.1412","","","","","","1.059","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158305","9.8031","0.0005","12.4858","0.0006","14.4741","0.0008","90","","100.794","0.002","90","","1740.28","0.16","173","2","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O S2 -","- C20 H20 O S2 -","- C80 H80 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.042","0.0407","","","0.1097","0.1107","","","","","","1.053","","","","has coordinates","270512","2021-11-06","20:43:17",""
"7158306","9.8601","0.0003","11.9035","0.0003","15.2689","0.0004","90","","101.418","0.001","90","","1756.64","0.08","173","2","173.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O S2 -","- C20 H19 N O S2 -","- C80 H76 N4 O4 S8 -","4","1","","Zhang, Shan-Shan; Xue, Jiahui; Gu, Qing; Jiang, Xuefeng; You, Shu-Li","Dearomatization reaction of β-naphthols with disulfurating reagents.","Organic & biomolecular chemistry","2021","19","40","8761","8771","10.1039/d1ob01731d","","","1.34139","GaKα","","0.0356","0.0343","","","0.0925","0.0937","","","","","","1.095","","","","has coordinates","270512","2021-11-06","20:43:18",""
"7158307","8.4201","0.0012","11.3961","0.0014","33.642","0.003","90","","95.484","0.01","90","","3213.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.2175","0.0829","","","0.12","0.1726","","","","","","0.8","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158308","10.3934","0.0001","18.0084","0.0003","17.5835","0.0003","90","","97.424","0.001","90","","3263.49","0.08","179.98","0.1","179.98","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1306","0.1393","","","","","","1.058","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158309","23.2429","0.0006","9.7717","0.0002","28.6043","0.0007","90","","94.72","0.002","90","","6474.7","0.3","293","2","293","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","221","","- C36 H31 Cl N2 O5 S2 -","- C36 H31 Cl N2 O5 S2 -","- C288 H248 Cl8 N16 O40 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.075","0.0538","","","0.136","0.1648","","","","","","1.085","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158310","9.0939","0.0016","30.322","0.004","11.9757","0.0013","90","","92.92","0.013","90","","3298","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","0.71073","MoKα","","0.1548","0.0652","","","0.1238","0.1634","","","","","","0.983","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158311","10.8359","0.0002","11.1243","0.0003","17.4373","0.0004","86.651","0.002","78.773","0.002","67.019","0.002","1897.71","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C72 H58 Cl2 N4 O14 S4 -","2","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0851","0.0796","","","0.2302","0.2366","","","","","","1.048","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158312","28.3232","0.0011","11.8905","0.0003","26.1613","0.001","90","","114.144","0.004","90","","8039.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 Cl N2 O7 S2 -","- C36 H29 Cl N2 O7 S2 -","- C288 H232 Cl8 N16 O56 S16 -","8","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.0861","0.0623","","","0.1783","0.1957","","","","","","1.108","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158313","21.0158","0.0008","10.2669","0.0003","18.2254","0.0006","90","","108.556","0.004","90","","3728","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Cl N2 O5 S2 -","- C36 H29 Cl N2 O5 S2 -","- C144 H116 Cl4 N8 O20 S8 -","4","1","","Zeng, Wenlei; Yu, Aimin; Meng, Xiangtai","Catalyst-controlled switchable [4 + 1], [4 + 3] and [3 + 2] domino reactions of azadienes and MBH carbonates: diverse synthesis of benzothiophene fused derivatives.","Organic & biomolecular chemistry","2021","19","40","8783","8788","10.1039/d1ob01702k","","x-ray","1.54184","CuKα","","0.083","0.0609","","","0.1652","0.1793","","","","","","1.045","","","","has coordinates","270509","2021-11-06","20:42:59",""
"7158314","18.8089","0.0013","17.8043","0.0012","21.9597","0.0015","90","","90","","90","","7353.8","0.9","220","","220","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C43 H34 N4 O -","- C43 H32 N4 O -","- C344 H256 N32 O8 -","8","1","","Nawaz, Shah; Huang, Yue; Bao, Xiaoze; Wei, Shiqiang; Wei, Xingfu; Qu, Jingping; Wang, Baomin","Construction of a spiro[pyrazolone-4,2'-pyridoindole] scaffold <i>via</i> a [3 + 3] cycloaddition of 2-indolylmethanol with a 4-aminopyrazolone-derived azomethine ylide.","Organic & biomolecular chemistry","2021","19","39","8530","8538","10.1039/d1ob01631h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1451","0.1645","","","","","","1.069","","","","has coordinates","270503","2021-11-06","20:41:55",""
"7158315","13.9191","0.0004","12.836","0.0004","20.3504","0.0006","90","","106.316","0.001","90","","3489.49","0.18","193","2","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(S)-6-(2-benzhydryl-5-chloro-1H-indol-3-yl)-2-chloro-6-phenyl-5,6-dihydroindeno[2,1-b]indole","","- C43 H30 Cl4 N2 -","- C43 H30 Cl4 N2 -","- C172 H120 Cl16 N8 -","4","1","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.34139","GaKα","","0.0574","0.0497","","","0.1263","0.1325","","","","","","1.035","","","","has coordinates","271870","2022-01-06","21:57:35",""
"7158316","12.1173","0.0008","13.979","0.0009","17.7969","0.0007","78.96","0.004","80.192","0.005","68.596","0.006","2738","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(2-(bis(4-(trifluoromethyl)phenyl)methyl)-1H-indol-3-yl)-9-(trifluoromethyl)-6-(4-(trifluoromethyl)phenyl)-5,6-dihydroindeno[2,1-b]indole","","- C46 H26 F12 N2 -","- C92 H52 F24 N4 -","- C92 H52 F24 N4 -","1","0.5","","Tang, Zhicong; Hong, Gang; Hu, Chen; Wang, Qi; Zhong, Yi; Gong, Yu; Yang, Peng; Wang, Limin","La(OTf)<sub>3</sub> facilitated self-condensation of 2-indolylmethanol: construction of highly substituted indeno[1,2-<i>b</i>]indoles.","Organic & biomolecular chemistry","2021","19","47","10337","10342","10.1039/d1ob01517f","","","1.54184","CuKα","","0.1291","0.0993","","","0.3321","0.3679","","","","","","1.289","","","","has coordinates,has disorder","271870","2022-01-06","21:57:35",""
"7158317","15.2822","0.0005","20.3116","0.0005","16.7995","0.0006","90","","117.084","0.005","90","","4642.8","0.3","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Ca Cl3 I2 N8 O12 -","- C31 H53 Ca Cl3 I2 N8 O12 -","- C124 H212 Ca4 Cl12 I8 N32 O48 -","4","1","","Zhu, Jun; Wang, Xu-Dong; Luo, Jian; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian","Cation-chloride cotransport mediated by an ion pair transporter.","Organic & biomolecular chemistry","2021","19","39","8586","8590","10.1039/d1ob01617b","","","0.71073","MoKα","","0.0383","0.0338","","","0.0808","0.0828","","","","","","1.058","","","","has coordinates","270500","2021-11-06","20:41:31",""
"7158318","18.868","0.005","12.831","0.004","7.106","0.003","90","","93.222","0.013","90","","1717.6","1","193","","193","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 Br F3 N O3 S -","- C17 H11 Br F3 N O3 S -","- C68 H44 Br4 F12 N4 O12 S4 -","4","1","","Su, Shixuan; Yan, Zhipeng; Ye, Xingyuan; Wang, Jingyang; Li, Yuan; He, Guangke","PhI(OAc)2-mediated trifluoromethylthiolation/oxidative cyclization of ynamides","Organic & Biomolecular Chemistry","2021","19","40","8746","8753","10.1039/D1OB01642C","","","0.71073","MoKα","","0.0885","0.0668","","","0.2057","0.2603","","","","","","1.062","","","","has coordinates","270510","2021-11-06","20:43:04",""
"7158319","5.516","0.001","19.977","0.003","30.8","0.01","90","","90","","90","","3393.9","1.4","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N4 O3 -","- C41 H42 N4 O3 -","- C164 H168 N16 O12 -","4","1","","Kozhemyakin, Grigory L.; Tyurin, Vladimir S.; Shkirdova, Alena O.; Belyaev, Evgeny S.; Kirinova, Ekaterina S.; Ponomarev, Gelii V.; Chistov, Alexey A.; Aralov, Andrey V.; Tafeenko, Victor A.; Zamilatskov, Ilya A.","Carbene functionalization of porphyrinoids through tosylhydrazones.","Organic & biomolecular chemistry","2021","19","42","9199","9210","10.1039/d1ob01626a","","","1.54186","CuKα","","0.3021","0.1405","","","0.3317","0.4249","","","","","","0.877","","","","has coordinates","270499","2021-11-06","20:41:24",""
"7158320","11.7785","0.0007","17.1967","0.0009","11.2241","0.0006","90","","115.786","0.008","90","","2047.1","0.2","150","0.1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O2 P -","- C24 H24 N O2 P -","- C96 H96 N4 O8 P4 -","4","1","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0597","0.0429","","","0.1008","0.1157","","","","","","1.059","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158321","11.3292","0.0004","10.3205","0.0003","18.9713","0.0008","90","","106.63","0.004","90","","2125.4","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cl2 N2 O2 P2 Pt -","- C48 H48 Cl2 N2 O2 P2 Pt -","- C96 H96 Cl4 N4 O4 P4 Pt2 -","2","0.5","","Popovics-Tóth, Nóra; Rávai, Bettina; Tajti, Ádám; Varga, Bence; Bagi, Péter; Perdih, Franc; Szabó, Pál Tamás; Hackler, Jr, László; Puskás, László G; Bálint, Erika","Three-component synthesis, utilization and biological activity of phosphinoyl-functionalized isoindolinones.","Organic & biomolecular chemistry","2021","19","40","8754","8760","10.1039/d1ob01610e","","","0.71073","MoKα","","0.0361","0.026","","","0.0559","0.0614","","","","","","1.062","","","","has coordinates","270511","2021-11-06","20:43:11",""
"7158322","10.9106","0.0016","11.628","0.002","11.7739","0.0019","97.036","0.014","110.448","0.014","105.848","0.014","1306.5","0.4","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O5 S -","- C29 H27 N O5 S -","- C58 H54 N2 O10 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.1293","0.0691","","","0.1701","0.2161","","","","","","1.023","","","","has coordinates,has disorder","270498","2021-11-06","20:41:07",""
"7158323","8.3217","0.0011","10.3997","0.0014","15.418","0.002","84.83","0.002","78.631","0.002","85.649","0.002","1300.5","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","ss","","- C28 H25 N O5 S2 -","- C28 H25 N O5 S2 -","- C56 H50 N2 O10 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","0.71073","MoKα","","0.0742","0.0615","","","0.1495","0.1605","","","","","","1.044","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158324","11.0425","0.0001","16.3615","0.0001","14.8646","0.0001","90","","102.389","0.001","90","","2623.08","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 N O5 S -","- C29 H29 N O5 S -","- C116 H116 N4 O20 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0393","0.0354","","","0.1036","0.1069","","","","","","1.077","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158325","8.1947","0.0001","13.0078","0.0002","13.8955","0.0002","112.119","0.002","96.231","0.001","100.047","0.001","1326.27","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N O7 S -","- C29 H27 N O7 S -","- C58 H54 N2 O14 S2 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","x-ray","1.54184","CuKα","","0.0448","0.041","","","0.114","0.1183","","","","","","1.06","","","","has coordinates","270498","2021-11-06","20:41:08",""
"7158326","11.7154","0.0001","12.1997","0.0001","18.576","0.0002","81.916","0.001","82.255","0.001","78.778","0.001","2562.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H58 N2 O10 S2 -","- C58 H58 N2 O10 S2 -","- C116 H116 N4 O20 S4 -","2","1","","Shen, Jinhui; Yu, Aimin; Meng, Xiangtai","Stereoselective [4 + 3] annulation of azadienes and ethyl 4-bromo-3-oxobutanoate: construction of benzindeno-fused azepine derivatives.","Organic & biomolecular chemistry","2021","19","41","9026","9030","10.1039/d1ob01749g","","","1.54184","CuKα","","0.0447","0.0397","","","0.1099","0.1133","","","","","","1.071","","","","has coordinates,has disorder","270498","2021-11-06","20:41:08",""
"7158327","12.8894","0.0007","13.1148","0.0007","14.7203","0.0008","90","","90","","90","","2488.3","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32.65 Cl Ir N O1.32 P -","- C27 H32.64 Cl Ir N O1.32 P -","- C108 H130.56 Cl4 Ir4 N4 O5.28 P4 -","4","1","","Dai, Zengjin; Pan, Ying-Min; Wang, Shou-Guo; Zhang, Xumu; Yin, Qin","Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(III) complexes bearing an amidato ligand.","Organic & biomolecular chemistry","2021","19","41","8934","8939","10.1039/d1ob01710a","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0682","0.0682","","","","","","1.092","","","","has coordinates","270496","2021-11-06","20:40:51",""
"7158328","6.5607","0.0001","7.5167","0.0002","28.7149","0.0006","90","","95.426","0.001","90","","1409.72","0.05","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0525","0.0457","","","0.0992","0.1019","","","","","","1.118","","","","has coordinates","270497","2021-11-06","20:40:58",""
"7158329","11.1401","0.0003","28.7617","0.0007","11.7457","0.0003","90","","90.521","0.001","90","","3763.26","0.17","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","4","","Marras, Valentina; Caboni, Pierluigi; Secci, Francesco; Guillot, Régis; Aitken, David J.; Frongia, Angelo","A Brønsted acid catalyzed tandem reaction for the diastereoselective synthesis of cyclobuta-fused tetrahydroquinoline carboxylic esters.","Organic & biomolecular chemistry","2021","19","41","8912","8916","10.1039/d1ob01518d","","x-ray","1.54178","CuKα","","0.0343","0.0324","","","0.0805","0.0817","","","","","","1.025","","","","has coordinates,has disorder","270497","2021-11-06","20:40:58",""
"7158330","9.087","0.001","10.0635","0.0013","13.3909","0.0017","80.956","0.004","81.422","0.004","65.23","0.004","1093.3","0.2","150","","150","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H22 Br N3 O S -","- C23 H22 Br N3 O S -","- C46 H44 Br2 N6 O2 S2 -","2","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0333","0.0264","","","0.0557","0.0595","","","","","","0.999","","","","has coordinates","270492","2021-11-06","20:40:22",""
"7158331","24.627","0.003","40.014","0.004","9.3291","0.0011","90","","90","","90","","9193.1","1.8","150","","150","","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C23 H20 Br N3 O S -","- C23 H20 Br N3 O S -","- C368 H320 Br16 N48 O16 S16 -","16","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0298","0.0276","","","0.0655","0.0664","","","","","","1.061","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158332","7.8822","0.0017","31.959","0.006","9.896","0.002","90","","121.156","0.007","90","","2133.3","0.8","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 Cl N3 O3 S -","- C20 H28 Cl N3 O3 S -","- C80 H112 Cl4 N12 O12 S4 -","4","1","","Paysant, Hippolyte; Hedir, Siham; Justaud, Frédéric; Weiswald, Louis Bastien; El Dine, Assaad Nasr; Soulieman, Ali; Hachem, Ali; Elie, Nicolas; Brotin, Emilie; Denoyelle, Christophe; Bignon, Jérôme; Roussi, Fanny; Jouanne, Marie; Tasseau, Olivier; Roisnel, Thierry; Voisin-Chiret, Anne Sophie; Grée, René; Levoin, Nicolas; Poulain, Laurent","Structural revision of the Mcl-1 inhibitor MIM1: synthesis and biological studies on ovarian cancer cells with evaluation of designed analogues.","Organic & biomolecular chemistry","2021","19","41","8968","8987","10.1039/d1ob01521d","","x-ray","0.71073","MoKα","","0.0496","0.0407","","","0.0929","0.0972","","","","","","1.072","","","","has coordinates","270492","2021-11-06","20:40:23",""
"7158333","8.3093","0.0004","7.7536","0.0003","21.1019","0.0009","90","","94.235","0.002","90","","1355.82","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0402","0.0341","","","0.0976","0.1001","","","","","","1.03","","","","has coordinates","270494","2021-11-06","20:40:39",""
"7158334","12.1703","0.0004","8.7069","0.0003","17.7917","0.0006","90","","104.923","0.002","90","","1821.72","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O S -","- C21 H18 N4 O S -","- C84 H72 N16 O4 S4 -","4","1","","Kutasevich, Anton V.; Niktarov, Anton S.; Uvarova, Ekaterina S.; Karnoukhova, Valentina A.; Mityanov, Vitaly S.","A novel approach to bis(1,3-azol-2-yl)acetonitriles and bis(1,3-azol-2-yl)methanes <i>via</i> the [3 + 2]-dipolar cycloaddition of imidazole <i>N</i>-oxides and 2-heteroaryl-3,3-dimethylacrylonitriles.","Organic & biomolecular chemistry","2021","19","41","8988","8998","10.1039/d1ob01441b","","","0.71073","MoKα","","0.0558","0.0386","","","0.1009","0.1076","","","","","","1.038","","","","has coordinates","270494","2021-11-06","20:40:40",""
"7158335","11.705","0.004","15.007","0.005","7.459","0.002","90","","105.239","0.003","90","","1264.2","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O4 S -","- C11 H9 I O4 S -","- C44 H36 I4 O16 S4 -","4","1","","Lu, Ling-Hui; Ou, Guangchuan; Zhao, Xiongjie; Wang, Yufei; Chen, Xuelian; Liao, Wenjun; Li, Shundan; Wu, Chao","Selective difunctionalization of electron-deficient alkynes: access to (<i>E</i>)-2-iodo-3-(methylthio)acrylate.","Organic & biomolecular chemistry","2021","19","37","8128","8132","10.1039/d1ob01287h","","","0.71073","MoKα","","0.0342","0.0289","","","0.0804","0.0838","","","","","","1.057","","","","has coordinates","269593","2021-10-05","21:04:46",""
"7158336","8.9489","0.0003","10.214","0.0002","29.3155","0.0006","90","","90","","90","","2679.56","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br2 N2 O4 S -","- C27 H26 Br2 N2 O4 S -","- C108 H104 Br8 N8 O16 S4 -","4","1","","Yang, Xiao-Peng; Lv, Hao-Peng; Yang, Hao-Di; Wang, Bai-Lin; Wang, Xing-Wang","Box-copper catalyzed cascade asymmetric amidation for chiral <i>exo</i>-methylene aminoindoline derivatives.","Organic & biomolecular chemistry","2021","19","43","9373","9378","10.1039/d1ob01242h","","","1.54184","CuKα","","0.0638","0.0614","","","0.1504","0.154","","","","","","1.125","","","","has coordinates","271215","2021-12-07","03:51:56",""
"7158337","8.1174","0.0006","18.2984","0.0012","12.9072","0.0008","90","","101.79","0.007","90","","1876.7","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl3 N6 O2 -","- C16 H17 Cl3 N6 O2 -","- C64 H68 Cl12 N24 O8 -","4","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.0959","0.0591","","","0.1612","0.2073","","","","","","1.048","","","","has coordinates","271232","2021-12-07","03:56:13",""
"7158338","7.9266","0.0005","8.4539","0.0006","15.2045","0.0009","86.573","0.005","89.013","0.005","65.02","0.007","921.87","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cl3 N6 O2 -","- C16 H15 Cl3 N6 O2 -","- C32 H30 Cl6 N12 O4 -","2","1","","Eltyshev, Alexander K.; Agafonova, Irina A.; Minin, Artem S.; Pozdina, Varvara A.; Shevirin, Vadim A.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Photophysics, photochemistry and bioimaging application of 8-azapurine derivatives.","Organic & biomolecular chemistry","2021","19","45","9880","9896","10.1039/d1ob01801a","","x-ray","0.71073","MoKα","","0.1174","0.0703","","","0.1984","0.2439","","","","","","1.034","","","","has coordinates,has disorder","271232","2021-12-07","03:56:13",""
"7158339","7.4594","0.0004","11.112","0.0005","12.7546","0.0006","72.929","0.001","85.141","0.001","80.711","0.001","996.6","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H19 N O -","- C30 H19 N O -","- C60 H38 N2 O2 -","2","1","","Rao, Maddali L. N.; Islam, Sk Shamim","Copper-catalyzed synthesis of 1-(2-benzofuryl)-N-heteroarenes from <i>o</i>-hydroxy-<i>gem</i>-(dibromovinyl)benzenes and N-heteroarenes.","Organic & biomolecular chemistry","2021","19","41","9076","9080","10.1039/d1ob01765a","","","0.71073","MoKα","","0.055","0.043","","","0.103","0.1087","","","","","","1.065","","","","has coordinates","270495","2021-11-06","20:40:45",""
"7158340","18.8139","0.0012","13.3867","0.0006","15.4997","0.0009","90","","100.572","0.003","90","","3837.4","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F3 N3 O7 -","- C21 H14 F3 N3 O7 -","- C168 H112 F24 N24 O56 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.094","0.0537","","","0.1057","0.1195","","","","","","1.05","","","","has coordinates","271217","2021-12-07","03:52:21",""
"7158341","15.718","0.002","13.4294","0.0019","24.95","0.003","90","","90","","90","","5266.5","1.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H21 F3 N2 O5 -","- C27 H21 F3 N2 O5 -","- C216 H168 F24 N16 O40 -","8","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1609","0.087","","","0.2044","0.2534","","","","","","1.008","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158342","10.8152","0.0008","16.2213","0.0011","32.017","0.002","90","","93.774","0.002","90","","5604.8","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H49 Cl4 F6 N4 O10 -","- C58 H49 Cl4 F6 N4 O10 -","- C232 H196 Cl16 F24 N16 O40 -","4","1","","Petropavlovskikh, Dmitry A.; Vorobyeva, Daria V.; Godovikov, Ivan A.; Nefedov, Sergey E.; Filippov, Oleg A.; Osipov, Sergey N.","Lossen rearrangement by Rh(III)-catalyzed C-H activation/annulation of aryl hydroxamates with alkynes: access to quinolone-containing amino acid derivatives.","Organic & biomolecular chemistry","2021","19","43","9421","9426","10.1039/d1ob01711j","","","0.71073","MoKα","","0.1291","0.076","","","0.1813","0.2095","","","","","","1.004","","","","has coordinates","271217","2021-12-07","03:52:22",""
"7158343","9.1811","0.0002","9.9659","0.0002","14.9148","0.0004","85.493","0.002","80.059","0.002","63.776","0.003","1205.83","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C60 H56 N4 O6 -","2","1","","Liu, Chao; Zhao, Ruiqi; Song, Liangliang; Li, Zhenghua; Tian, Guilong; He, Yi; Van Meervelt, Luc; Peshkov, Vsevolod A.; Van der Eycken, Erik V.","Palladium-catalyzed post-Ugi arylative dearomatization/Michael addition cascade towards plicamine analogues.","Organic & biomolecular chemistry","2021","19","44","9752","9757","10.1039/d1ob01805a","","x-ray","0.71073","MoKα","","0.0583","0.047","","","0.1133","0.1204","","","","","","1.075","","","","has coordinates","271206","2021-12-07","03:49:52",""
"7158344","13.4998","0.0006","21.9675","0.0008","7.6004","0.0003","90","","101.456","0.005","90","","2209.05","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br2 N6 -","- C24 H20 Br2 N6 -","- C96 H80 Br8 N24 -","4","1","","Gupta, Shiv Shankar; Manisha, ?; Kumar, Rakesh; Dhiman, Ankit Kumar; Sharma, Upendra","Predictable site-selective functionalization: Promoter group assisted <i>para</i>-halogenation of <i>N</i>-substituted <b>(</b>hetero<b>)</b>aromatics under metal-free condition.","Organic & biomolecular chemistry","2021","19","44","9675","9687","10.1039/d1ob02000e","","x-ray","1.54184","CuKα","","0.0522","0.0399","","","0.098","0.1121","","","","","","1.042","","","","has coordinates","271211","2021-12-07","03:50:56",""
"7158345","15.2432","0.0013","6.8557","0.0004","19.6543","0.0015","90","","99.415","0.007","90","","2026.3","0.3","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N4 O -","- C23 H26 N4 O -","- C92 H104 N16 O4 -","4","1","","Soam, Pooja; Gaba, Hashmita; Mandal, Debasish; Tyagi, Vikas","A Pd-catalyzed one-pot cascade consisting of C-C/C-O/N-N bond formation to access benzoxazine fused 1,2,3-triazoles.","Organic & biomolecular chemistry","2021","19","45","9936","9945","10.1039/d1ob01539g","","x-ray","0.71073","MoKα","","0.0831","0.0559","","","0.1361","0.161","","","","","","1.08","","","","has coordinates","271228","2021-12-07","03:55:36",""
"7158346","19.2668","0.0006","10.713","0.0004","7.8156","0.0002","90","","90","","90","","1613.18","0.09","295.7","0.4","295.7","0.4","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Jia, Ruo-Ling; Liu, Qing-Ling; Yang, Long-Wei; Deng, Shi; Song, Yang","[6 + 3] Annulations of Morita-Baylis-Hillman carbonates and dicyanoheptafulvene.","Organic & biomolecular chemistry","2021","19","45","9867","9871","10.1039/d1ob00854d","","x-ray","1.54184","CuKα","","0.0607","0.0573","","","0.1416","0.1466","","","","","","1.084","","","","has coordinates","271225","2021-12-07","03:54:28",""
"7158347","11.631","0.002","14.557","0.003","15.796","0.003","90","","90","","90","","2674.5","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","1","","Xu, Zhaoliang; Hu, Yu; Wang, Lei; Sun, Mingli; Li, Pinhua","Merging cobalt and photoredox catalysis for the C8-H alkoxylation of 1-naphthylamine derivatives with alcohols.","Organic & biomolecular chemistry","2021","19","46","10112","10119","10.1039/d1ob01721g","","","0.71073","MoKα","","0.1003","0.0436","","","0.0937","0.1143","","","","","","1.001","","","","has coordinates","271220","2021-12-07","03:53:17",""
"7158348","10.646","0.002","11.634","0.003","12.087","0.003","101.823","0.013","109.747","0.01","91.715","0.013","1371.1","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","benzyl (E)-2-((4-(benzyloxy)-4-oxobut-2-en-2-yl)oxy)-7-ethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C33 H29 N O7 -","- C33 H29 N O7 -","- C66 H58 N2 O14 -","2","1","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.125","0.0422","","","0.0985","0.11","","","","","","1.028","","","","has coordinates","271212","2021-12-07","03:51:07",""
"7158349","8.708","0.002","13.624","0.004","17.004","0.005","66.753","0.006","79.781","0.007","88.762","0.007","1821.5","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Benzyl 2-hydroxy-8,10-dimethoxy-5H-chromeno[3,4-b]pyridine-3-carboxylate","","- C22 H19 N O6 -","- C22 H19 N O6 -","- C88 H76 N4 O24 -","4","2","","Soares, Maria I. L.; Gomes, Clara S. B.; Oliveira, M Conceição; Marçalo, Joaquim; Pinho E Melo, Teresa M V D","Synthesis of 5<i>H</i>-chromeno[3,4-<i>b</i>]pyridines <i>via</i> DABCO-catalyzed [3 + 3] annulation of 3-nitro-2<i>H</i>-chromenes and allenoates.","Organic & biomolecular chemistry","2021","19","44","9711","9722","10.1039/d1ob01130h","","x-ray","0.71073","MoKα","","0.1917","0.0946","","","0.1675","0.1941","","","","","","1.025","","","","has coordinates","271212","2021-12-07","03:51:10",""
"7158350","8.3925","0.0006","11.705","0.0009","23.1584","0.0019","90","","90","","90","","2274.9","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","5aa","","- C11 H9 F3 N2 O S -","- C11 H9 F3 N2 O S -","- C88 H72 F24 N16 O8 S8 -","8","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.137","0.0724","","","0.0811","0.1043","","","","","","0.997","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158351","7.6104","0.0012","7.8056","0.0014","12.0015","0.0019","90.867","0.002","102.061","0.002","115.696","0.003","623.71","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","8","","- C11 H8 Br F3 N2 O S -","- C11 H8 Br F3 N2 O S -","- C22 H16 Br2 F6 N4 O2 S2 -","2","1","","Thomas Passia, Marco; Schöbel, Jan-Hendrik; Julian Lentelink, Niklas; Truong, Khai-Nghi; Rissanen, Kari; Bolm, Carsten","Synthesis of trifluoromethyl-substituted 1,2,6-thiadiazine 1-oxides from sulfonimidamides under mechanochemical conditions.","Organic & biomolecular chemistry","2021","19","43","9470","9475","10.1039/d1ob01912k","","","0.71073","MoKα","","0.0693","0.0527","","","0.1167","0.1262","","","","","","1.071","","","","has coordinates","271216","2021-12-07","03:52:10",""
"7158352","13.6962","0.0003","13.6338","0.0002","9.271","0.0002","90","","104.983","0.003","90","","1672.33","0.06","150","0.18","150","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 -","- C18 H23 N3 O3 -","- C72 H92 N12 O12 -","4","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0675","0.056","","","0.1415","0.1521","","","","","","1.042","","","","has coordinates","271210","2021-12-07","03:50:27",""
"7158353","8.1181","0.0002","13.6649","0.0004","17.6062","0.0006","108.557","0.003","100.746","0.002","95.887","0.002","1791.4","0.1","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H59 Cl N4 O3 -","- C34 H59 Cl N4 O3 -","- C68 H118 Cl2 N8 O6 -","2","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0562","0.0422","","","0.105","0.1145","","","","","","1.034","","","","has coordinates","271210","2021-12-07","03:50:39",""
"7158354","42.9415","0.0011","6.2417","0.0002","13.2277","0.0003","90","","94.68","0.002","90","","3533.57","0.17","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C168 H184 N24 O32 -","8","1","","McNaughton, Daniel A.; To, Tsz Ying Teresa; Hawkins, Bryson A.; Hibbs, David E.; Gale, Philip A.","Delivering anion transporters to lipid bilayers in water.","Organic & biomolecular chemistry","2021","19","44","9624","9628","10.1039/d1ob02041b","","x-ray","0.71073","MoKα","","0.0471","0.0397","","","0.0943","0.099","","","","","","1.029","","","","has coordinates","271210","2021-12-07","03:50:41",""
"7158355","13.5595","0.0002","7.5471","0.0001","18.0224","0.0003","90","","106","0.002","90","","1772.87","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.042","0.0362","","","0.0869","0.0911","","","","","","1.0359","","","","has coordinates","271205","2021-12-07","03:49:42",""
"7158356","13.0854","0.0003","7.50448","0.00014","22.3639","0.0005","90","","92.532","0.002","90","","2193.97","0.08","100","0.2","100","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.033","0.0303","","","0.0787","0.0805","","","","","","1.044","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158357","8.3206","0.0001","10.3874","0.0001","20.7185","0.0001","90","","90","","90","","1790.69","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0928","0.0932","","","","","","1.028","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158358","8.9201","0.0003","27.3837","0.0009","9.5899","0.0003","90","","109.369","0.004","90","","2209.9","0.14","100","0.11","100","0.11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H25 Cl2 N O6 -","- C22 H25 Cl2 N O6 -","- C88 H100 Cl8 N4 O24 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0341","0.0314","","","0.0827","0.0845","","","","","","1.064","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158359","10.2285","0.0003","10.2285","0.0003","31.7311","0.001","90","","90","","90","","3319.78","0.17","101","2","101","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","0.5","","Liu, Shuai; Zhang, Cui-Shan; Ran, Xiao-Qian; Tang, Xiao-Han; Guo, Ya-Rong; Yan, Ying; Yao, Yong-Gang; Hao, Xiao-Jiang; Luo, Rong-Can; Di, Ying-Tong","Perforalactones D and E, two new C-20 quassinoids with potential activity to induce lysosomal biogenesis from the twigs of <i>Harrisonia perforata</i> (Blanco) Merr.","Organic & biomolecular chemistry","2021","19","44","9637","9640","10.1039/d1ob01927a","","","1.54178","CuKα","","0.0575","0.0575","","","0.1702","0.1702","","","","","","1.12","","","","has coordinates","271213","2021-12-07","03:51:16",""
"7158360","10.957","0.0004","29.1941","0.001","8.9667","0.0003","90","","101.076","0.003","90","","2814.84","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O5 S -","- C31 H23 Br N2 O5 S -","- C124 H92 Br4 N8 O20 S4 -","4","1","","Zheng, Yi; Zhang, Ting-Ting; Shen, Wen-Bo","Gold-catalyzed oxidative cyclization of amide-alkynes: access to functionalized γ-lactams.","Organic & biomolecular chemistry","2021","19","44","9688","9691","10.1039/d1ob01846a","","x-ray","1.54184","CuKα","","0.0727","0.0485","","","0.1186","0.1328","","","","","","1.038","","","","has coordinates","271209","2021-12-07","03:50:16",""
"7158361","10.5525","0.0009","10.5881","0.0009","11.4412","0.0006","102.568","0.006","105.923","0.006","105.637","0.007","1123.59","0.17","293.3","0.1","293.3","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","","1.54184","CuKα","","0.1039","0.0838","","","0.2422","0.2708","","","","","","1.046","","","","has coordinates","271231","2021-12-07","03:56:06",""
"7158362","20.8005","0.0006","5.76195","0.00016","37.1847","0.0013","90","","98.257","0.003","90","","4410.4","0.2","293.32","0.1","293.32","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.067","0.0546","","","0.1536","0.1664","","","","","","1.041","","","","has coordinates,has disorder","271231","2021-12-07","03:56:07",""
"7158363","10.6249","0.0004","10.6722","0.0005","11.3614","0.0005","105.317","0.004","102.94","0.004","105.98","0.004","1131.72","0.1","293.6","0.1","293.6","0.1","","","","","","","","3","P 1","P 1","1","","","","- C26 H30 O4 -","- C26 H30 O4 -","- C52 H60 O8 -","2","2","","Xiao, Jian; Zhao, Jun; Wang, Ya-Wen; Luo, Gan; Peng, Yu","Total syntheses of (+)-adunctins C and D: assignment of their absolute configurations.","Organic & biomolecular chemistry","2021","19","45","9840","9843","10.1039/d1ob02055b","","x-ray","1.54184","CuKα","","0.0822","0.0713","","","0.2089","0.2322","","","","","","1.068","","","","has coordinates","271231","2021-12-07","03:56:07",""
"7158364","17.4753","0.0017","11.4632","0.0011","26.206","0.002","90","","99.65","0.004","90","","5175.4","0.8","190","2","189.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl N3 O5 -","- C26 H38 Cl N3 O5 -","- C208 H304 Cl8 N24 O40 -","8","1","","Xu, Zan-Xin; Li, Bin; Tian, Ying; Li, Min; Dong, Jun-Xing; Zhang, Guang-Jie","Pentacyclic spermidine alkaloids with radioprotective and anti-inflammatory activities from <i>Orychophragmus violaceus</i>.","Organic & biomolecular chemistry","2021","19","45","9844","9848","10.1039/d1ob01973b","","","1.34139","GaKα","","0.0451","0.036","","","0.0879","0.0951","","","","","","1.029","","","","has coordinates","271229","2021-12-07","03:55:46",""
"7158365","9.8457","0.0007","19.1932","0.0016","17.0462","0.0014","90","","101.212","0.002","90","","3159.7","0.4","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","TPEA","2,6,9,10-tetrakis(phenylethynyl)anthracene","","- C46 H26 -","- C46 H26 -","- C184 H104 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0911","0.0586","","","0.1501","0.1746","","","","","","1.056","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158366","6.0741","0.0008","11.2759","0.0016","14.146","0.002","99.128","0.005","96.304","0.005","105.017","0.004","912.3","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TTMSEA","(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(trimethylsilane)","","- C34 H42 Si4 -","- C34 H42 Si4 -","- C34 H42 Si4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0662","0.0436","","","0.113","0.1232","","","","","","1.038","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158367","4.6663","0.0005","14","0.0016","14.5094","0.0017","75.898","0.004","83.094","0.004","83.357","0.004","908.96","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TMPEA","2,6,9,10-tetrakis((2-methoxyphenyl)ethynyl)anthracene","","- C50 H34 O4 -","- C50 H34 O4 -","- C50 H34 O4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.0978","0.047","","","0.1239","0.1609","","","","","","0.762","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158368","9.2771","0.0009","9.6139","0.0008","14.3349","0.0014","71.119","0.003","86.812","0.004","61.782","0.003","1058.66","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","TDMAEA","4,4',4'',4'''-(anthracene-2,6,9,10-tetrayltetrakis(ethyne-2,1-diyl))tetrakis(N,N-dimethylaniline)","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1111","0.0562","","","0.1555","0.1939","","","","","","0.869","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158369","11.162","0.003","11.978","0.003","15.916","0.004","90","","90","","90","","2127.9","0.9","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","1,4-di(anthracen-9-yl)buta-1,3-diyne","1,4-di(anthracen-9-yl)buta-1,3-diyne","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1641","0.0719","","","0.2009","0.2674","","","","","","0.79","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158370","14.929","0.003","11.922","0.003","10.529","0.002","90","","92.393","0.007","90","","1872.4","0.7","296","2","296","2","","","","","","","","2","P 1 c 1","P -2yc","7","TTEA","2,6,9,10-tetrakis(p-tolylethynyl)anthracene","","- C50 H34 -","- C50 H34 -","- C100 H68 -","2","1","","Islam, Khadimul; Narjinari, Himani; Bisarya, Akshara; Kumar, Akshai","Multi-fold Sonogashira coupling: a new and convenient approach to obtain tetraalkynyl anthracenes with tunable photophysical properties.","Organic & biomolecular chemistry","2021","19","44","9692","9704","10.1039/d1ob01861b","","","0.71073","MoKα","","0.1812","0.0836","","","0.1984","0.2604","","","","","","1.026","","","","has coordinates","271207","2021-12-07","03:50:02",""
"7158371","14.104","0.0006","15.1682","0.0009","24.3684","0.0012","90","","102.661","0.002","90","","5086.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 F3 O2 -","- C22 H13 F3 O2 -","- C264 H156 F36 O24 -","12","3","","Zeng, Piaopiao; Huang, Xiaoxiao; Tang, Wei; Chen, Zhiwei","Copper-catalyzed cascade radical cyclization of alkynoates: construction of aryldifluoromethylated coumarins.","Organic & biomolecular chemistry","2021","19","46","10223","10227","10.1039/d1ob01754c","","","0.71073","MoKα","","0.0856","0.0479","","","0.0954","0.1133","","","","","","1.031","","","","has coordinates","271218","2021-12-07","03:52:52",""
"7158373","6.70863","0.00006","31.0104","0.0003","6.93722","0.00007","90","","110.2","0.001","90","","1354.44","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O4 -","- C15 H14 Br N O4 -","- C60 H56 Br4 N4 O16 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","x-ray","1.54184","CuKα","","0.0257","0.0247","","","0.0675","0.0681","","","","","","1.101","","","","has coordinates","271227","2021-12-07","03:55:28",""
"7158374","9.2023","0.0003","10.58","0.0003","20.2538","0.0005","90","","101.586","0.0008","90","","1931.74","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Milyutin, Constantine V.; Galimova, Renata D.; Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.; Migulin, Vasily A.; Fakhrutdinov, Artem N.; Minyaev, Mikhail E.","Photoinduced assembly of the 3,4,4a,7a-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]pyridine-2,7-dione core on the basis of allomaltol derivatives.","Organic & biomolecular chemistry","2021","19","45","9975","9985","10.1039/d1ob01871j","","","0.71073","MoKα","","0.0596","0.0466","","","0.1198","0.1298","","","","","","1.056","","","","has coordinates","271227","2021-12-07","03:55:29",""
"7158375","9.7637","0.0019","28.138","0.005","10.943","0.002","90","","104.379","0.003","90","","2912.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-((1R,4R)-4-(4-methoxyphenyl)-1'-methyl-2'-oxo-3-phenylspiro[cyclopentane-1,3'-indolin]-2-en-2-yl)-N,4-dimethylbenzenesulfonamide","","- C34 H32 N2 O4 S -","- C34 H32 N2 O4 S -","- C136 H128 N8 O16 S4 -","4","1","","Zhang, Dongxin; Cheng, Qihang; Chen, Lvjia; Deng, Huiqing; Cai, Hu; Zhang, Qian-Feng","Lewis acid-catalyzed [3 + 2] annulations of oxindole based spirocyclic donor-acceptor cyclopropanes with ynamides.","Organic & biomolecular chemistry","2021","19","44","9645","9648","10.1039/d1ob01922h","","","0.71073","MoKα","","0.0715","0.0457","","","0.1305","0.1534","","","","","","0.9","","","","has coordinates","271214","2021-12-07","03:51:33",""
"7158376","8.7388","0.0001","8.7377","0.0001","15.3935","0.0003","90","","105.809","0.002","90","","1130.94","0.03","100.01","0.1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","1,5-di(methylbenzene)-3-(4-nitro-thiophenyl-oxoverdazyl","","- C8 H11 N5 O3 S -","- C8 H11 N5 O3 S -","- C32 H44 N20 O12 S4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","","1.54184","CuKα","","0.0439","0.0382","","","0.0905","0.0937","","","","","","1.089","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158377","7.5838","0.0001","9.8117","0.0001","12.8968","0.0001","102.553","0.001","92.841","0.001","111.32","0.001","863.837","0.018","101","1","101","1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C38 H44 N8 O2 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0342","0.0333","","","0.0911","0.0918","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158378","10.9788","0.0001","14.7369","0.0001","22.0879","0.0002","90","","90","","90","","3573.68","0.05","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(3-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C152 H176 N32 O24 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0355","0.0325","","","0.0831","0.085","","","","","","1.06","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158379","7.3232","0.0001","19.6029","0.0002","10.4905","0.0002","90","","107.845","0.002","90","","1433.52","0.04","100","0.2","100","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","1,5-bis(thiophenyl)-2,4-dimethyl-carbohydrazide","","- C13 H14 N4 O S2 -","- C13 H14 N4 O S2 -","- C52 H56 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0323","0.0317","","","0.1202","0.1228","","","","","","1.137","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158380","8.5045","0.0003","9.797","0.0004","11.9453","0.0005","108.084","0.004","100.023","0.003","101.754","0.003","895.65","0.07","100","0.3","100","0.3","","","","","","","","4","P -1","-P 1","2","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","1,5-bis(2-methoxybenzyl)-2,4-dimethyl-carbohydrazide","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0754","0.0668","","","0.1822","0.2014","","","","","","1.07","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158381","19.7981","0.0003","7.6021","0.0001","16.1604","0.0003","90","","124.601","0.002","90","","2002.05","0.07","99.9","0.3","99.9","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-dimethyl-3-pyridyl-oxoverdazyl","1,5-dimethyl-3-pyridyl-oxoverdazyl","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C72 H104 N40 O8 -","8","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0401","0.0388","","","0.1038","0.105","","","","","","1.084","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158382","4.931","0.0001","19.1334","0.0006","20.4301","0.0006","90","","90","","90","","1927.51","0.09","100.01","0.1","100.01","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C80 H88 N16 O8 S4 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.1463","0.1355","","","0.2605","0.2648","","","","","","1.279","","","","has coordinates,has disorder","271222","2021-12-07","03:53:41",""
"7158383","18.9089","0.0003","11.613","0.0002","10.5619","0.0002","90","","90.812","0.002","90","","2319.04","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","1,5-bis(thiophenyl)-2,4-bis(methylbenzyl)-carbohydrazide","","- C25 H22 N4 O S2 -","- C25 H22 N4 O S2 -","- C100 H88 N16 O4 S8 -","4","0.5","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0923","0.0939","","","","","","1.063","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158384","11.4529","0.0003","10.4903","0.0003","12.3136","0.0004","90","","98.94","0.002","90","","1461.44","0.07","99.9","0.4","99.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O -","- C15 H16 N6 O -","- C60 H64 N24 O4 -","4","1","","Fuller, Rebecca O.; Taylor, Madeleine R.; Duggin, Margot; Bissember, Alex C.; Canty, Allan J.; Judd, Martyna M.; Cox, Nicholas; Moggach, Stephen A.; Turner, Gemma F.","Enhanced synthesis of oxo-verdazyl radicals bearing sterically-and electronically-diverse C3-substituents.","Organic & biomolecular chemistry","2021","19","46","10120","10138","10.1039/d1ob01946e","","x-ray","1.54184","CuKα","","0.07","0.0646","","","0.1917","0.2096","","","","","","1.116","","","","has coordinates","271222","2021-12-07","03:53:41",""
"7158385","7.7803","0.0002","9.3559","0.0003","14.8204","0.0004","90","","90.009","0.003","90","","1078.8","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N3 O4 -","- C22 H20 Cl N3 O4 -","- C44 H40 Cl2 N6 O8 -","2","1","","Kaur, Banni Preet; Sharma, Vivek; Sahoo, Subash Chandra; Chimni, Swapandeep Singh","Low catalyst loading enabled organocatalytic synthesis of chiral bis-heterocyclic frameworks containing pyrazole and isoxazole.","Organic & biomolecular chemistry","2021","19","45","9910","9924","10.1039/d1ob01313k","","x-ray","0.71073","MoKα","","0.0806","0.0561","","","0.1366","0.17","","","","","","1.087","","","","has coordinates","271230","2021-12-07","03:55:56",""
"7158386","5.5102","0.0005","9.087","0.0009","25.588","0.003","90","","90","","90","","1281.2","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C48 H68 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0772","0.057","","","0.1429","0.1783","","","","","","1.0116","","","","has coordinates","271226","2021-12-07","03:55:10",""
"7158387","5.6852","0.0003","9.4367","0.0004","12.6134","0.0006","77.963","0.004","77.679","0.004","76.073","0.004","632.8","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C24 H32 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0884","0.0501","","","0.1116","0.1374","","","","","","1.001","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158388","6.6874","0.0006","17.3402","0.0014","11.9242","0.0011","90","","96.885","0.008","90","","1372.8","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 F3 N2 O2 -","- C13 H19 F3 N2 O2 -","- C52 H76 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1202","0.0645","","","0.1707","0.2292","","","","","","1.006","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158389","13.671","0.002","5.8015","0.0008","18.074","0.002","90","","93.43","0.014","90","","1430.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 F3 N O4 -","- C13 H20 F3 N O4 -","- C52 H80 F12 N4 O16 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","","0.71073","MoKα","","0.1629","0.0703","","","0.1661","0.2356","","","","","","1.002","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158390","5.4368","0.0006","8.606","0.0007","12.6785","0.0011","93.198","0.007","100.084","0.008","92.872","0.008","582.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 F3 N O3 -","- C11 H14 F3 N O3 -","- C22 H28 F6 N2 O6 -","2","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.109","0.0564","","","0.1207","0.1697","","","","","","1.011","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158391","11.7168","0.001","11.9298","0.0013","12.1371","0.0012","70.519","0.009","89.748","0.007","79.574","0.008","1570.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 F3 N2 O2 -","- C17 H19 F3 N2 O2 -","- C68 H76 F12 N8 O8 -","4","2","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1978","0.0742","","","0.1604","0.2399","","","","","","0.984","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158392","17.7173","0.0016","5.9455","0.0008","24.594","0.003","90","","101.644","0.01","90","","2537.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 F3 N O3 -","- C12 H16 F3 N O3 -","- C96 H128 F24 N8 O24 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1039","0.0642","","","0.1575","0.1922","","","","","","1.034","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158393","12.8729","0.0014","12.6636","0.0014","15.6817","0.0015","90","","90","","90","","2556.4","0.5","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C96 H136 F24 N16 O16 -","8","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1237","0.0584","","","0.1554","0.2194","","","","","","1.008","","","","has coordinates,has disorder","271226","2021-12-07","03:55:21",""
"7158394","10.2653","0.0009","9.7195","0.0012","19.2671","0.0017","90","","104.837","0.009","90","","1858.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 F3 N3 O2 -","- C19 H22 F3 N3 O2 -","- C76 H88 F12 N12 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.1534","0.0635","","","0.1454","0.2223","","","","","","1.0099","","","","has coordinates","271226","2021-12-07","03:55:21",""
"7158395","11.9566","0.0004","13.9478","0.0011","8.1538","0.0003","90","","105.607","0.003","90","","1309.66","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Gupta, Manish K.; Jena, Chinmay K.; Sharma, Nagendra K.","Pd-Catalyzed C(sp<sup>2</sup>)-H olefination: synthesis of <i>N</i>-alkylated isoindolinone scaffolds from aryl amides of amino acid esters.","Organic & biomolecular chemistry","2021","19","46","10097","10104","10.1039/d1ob01997j","","","1.54184","CuKα","","0.042","0.0386","","","0.1124","0.1156","","","","","","1.082","","","","has coordinates","271219","2021-12-07","03:53:04",""
"7158396","7.2215","0.0003","8.8635","0.0004","9.7122","0.0004","91.354","0.001","92.014","0.001","92.341","0.002","620.56","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O S -","- C16 H12 O S -","- C32 H24 O2 S2 -","2","1","","Zhang, Zhu-Zhu; Sun, Cai-Ling; Zhang, Xiao-Hong; Zhang, Xing-Guo","Base-promoted thioannulation of <i>o</i>-alkynyl oxime ethers with sodium sulfide for the general synthesis of isothiocoumarins.","Organic & biomolecular chemistry","2021","19","46","10174","10180","10.1039/d1ob02012a","","","0.71073","MoKα","","0.0416","0.0375","","","0.107","0.1117","","","","","","1.066","","","","has coordinates","271223","2021-12-07","03:53:48",""
"7158398","14.238","0.003","14.993","0.003","15.638","0.002","70.194","0.007","85.592","0.007","77.672","0.008","3068.3","1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C76 H70 N2 O12 -","- C76 H70 N2 O12 -","- C152 H140 N4 O24 -","2","1","","Spatola, Emanuele; Rispoli, Francesco; Del Giudice, Daniele; Cacciapaglia, Roberta; Casnati, Alessandro; Marchiò, Luciano; Baldini, Laura; Di Stefano, Stefano","Dissipative control of the fluorescence of a 1,3-dipyrenyl calix[4]arene in the cone conformation.","Organic & biomolecular chemistry","2021","20","1","132","138","10.1039/d1ob02096j","","","1.54178","CuKα","","0.1757","0.079","","","0.1737","0.2211","","","","","","1.017","","","","has coordinates,has disorder","272751","2022-02-04","19:59:14",""
"7158399","7.472","0.002","10.98","0.003","12.17","0.004","115.159","0.012","102.06","0.013","95.668","0.013","863.7","0.5","298.22","","298.22","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C44 H34 N2 O2 S2 -","2","1","","Khan, Tabassum; Rajesh, Pallava; Arun, Doma; Yaragorla, Srinivasarao","Stereoselective sulfenylation of oxindole-derived propargyl alcohols to access sulfenylated-3-alkenyloxindoles.","Organic & biomolecular chemistry","2021","19","46","10201","10209","10.1039/d1ob01921j","","","0.71073","MoKα","","0.1915","0.0779","","","0.1371","0.164","","","","","","1.076","","","","has coordinates","271224","2021-12-07","03:53:53",""
"7158400","8.3651","0.0008","13.6367","0.0013","25.424","0.003","90","","90","","90","","2900.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.0459","0.0361","","","0.0793","0.0861","","","","","","1.014","","","","has coordinates","271871","2022-01-06","21:57:42",""
"7158401","8.631","0.003","11.371","0.004","29.685","0.011","90","","90","","90","","2913.4","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.1559","0.0846","","","0.1943","0.233","","","","","","1.041","","","","has coordinates,has disorder","271871","2022-01-06","21:57:42",""
"7158402","11.8848","0.0001","12.8057","0.0001","21.212","0.0003","90","","90","","90","","3228.32","0.06","99.9","0.3","99.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl3 N3 O6 P -","- C26.999 H40.999 Cl2.997 N3 O6 P -","- C107.996 H163.996 Cl11.988 N12 O24 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Unruh, Daniel; Surowiec, Kazimierz; Li, Guigen","Asymmetric synthesis of functionalized 2,3-dihydrobenzofurans using salicyl <i>N</i>-phosphonyl imines facilitated by group-assisted purification (GAP) chemistry.","Organic & biomolecular chemistry","2021","19","47","10319","10325","10.1039/d1ob02078a","","x-ray","1.54184","CuKα","","0.0361","0.0323","","","0.08","0.0828","","","","","","1.055","","","","has coordinates,has disorder","271869","2022-01-06","21:57:27",""
"7158403","4.5957","0.0003","22.3241","0.0011","14.097","0.0009","90","","92.802","0.003","90","","1444.55","0.15","99.99","","99.99","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N9 O3 -","- C32 H33 N9 O3 -","- C64 H66 N18 O6 -","2","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0508","0.0434","","","0.1097","0.115","","","","","","1.054","","","","has coordinates","271221","2021-12-07","03:53:28",""
"7158404","17.58","0.02","16.258","0.019","10.196","0.011","90","","101.78","0.02","90","","2853","6","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 N7 -","- C29 H43 N7 -","- C116 H172 N28 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","x-ray","1.54178","CuKα","K-L~3~","0.1583","0.0904","","","0.2534","0.3128","","","","","","1.036","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158405","4.8236","0.0002","23.2321","0.0013","25.2997","0.0015","90","","90.64","0.004","90","","2835","0.3","100","2","99.99","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N9 O3 -","- C30 H28 N9 O3 -","- C120 H112 N36 O12 -","4","1","","McCarney, Eoin P.; McCarthy, William J.; Lovitt, June I.; Gunnlaugsson, Thorfinnur","Macrocyclic <i>vs.</i> [2]catenane btp structures: influence of (aryl) substitution on the self templation of btp ligands in macrocyclic synthesis.","Organic & biomolecular chemistry","2021","19","46","10189","10200","10.1039/d1ob02032c","","","1.54178","CuKα","","0.0907","0.0762","","","0.2103","0.222","","","","","","1.107","","","","has coordinates,has disorder","271221","2021-12-07","03:53:28",""
"7158406","13.1846","0.001","7.7958","0.0007","15.6184","0.0012","90","","113.389","0.009","90","","1473.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl N2 -","- C18 H15 Cl N2 -","- C72 H60 Cl4 N8 -","4","1","","Zhang, Xiaoxiang; Zhang, Yingying; Gu, Xiaoting; Zhang, Zhuan; Wei, Wanxing; Liang, Taoyuan","Synthesis of 3-halogenated 2,3'-biindoles by a copper-mediated 2,3-difunctionalization of indoles.","Organic & biomolecular chemistry","2021","19","47","10403","10407","10.1039/d1ob02024b","","","0.71073","MoKα","","0.0887","0.0608","","","0.1305","0.1473","","","","","","1.07","","","","has coordinates","271872","2022-01-06","21:57:50",""
"7158407","18.604","0.0008","12.3733","0.0004","20.0612","0.0008","90","","97.643","0.001","90","","4576.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","19AU04","","- C26 H21 Br2 Cl O -","- C26 H21 Br2 Cl O -","- C208 H168 Br16 Cl8 O8 -","8","2","","Kuan, Tzu-Hsuan; Kotipalli, Trimurtulu; Chen, Cheng-Chun; Hou, Duen-Ren","Addition of benzyl ethers to alkynes: a metal-free synthesis of 1<i>H</i>-isochromenes.","Organic & biomolecular chemistry","2021","19","47","10390","10402","10.1039/d1ob01941d","","","0.71073","MoKα","","0.1548","0.0827","","","0.2047","0.2544","","","","","","1.021","","","","has coordinates","271868","2022-01-06","21:57:21",""
"7158408","7.085","0.003","10.81","0.005","19.32","0.007","79.174","0.015","85.596","0.011","82.452","0.014","1438.7","1","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","2","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0839","","","","0.2127","","","","","","1.035","","","","has coordinates","271867","2022-01-06","21:57:14",""
"7158409","8.985","0.004","14.486","0.009","10.592","0.005","90","","98.454","0.017","90","","1363.6","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0402","","","","0.1071","","","","","","1.079","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158410","11.525","0.004","9.518","0.004","14.178","0.006","90","","98.81","0.015","90","","1536.9","1.1","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0522","","","","0.1193","","","","","","1.044","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158411","5.686","0.003","26.359","0.013","10.269","0.005","90","","93.343","0.017","90","","1536.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O S -","- C16 H26 O S -","- C64 H104 O4 S4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0903","","","","0.1694","","","","","","1.082","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158412","8.183","0.004","9.828","0.003","16.544","0.005","90","","90","","90","","1330.5","0.9","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0457","0.037","","","0.0721","0.0758","","","","","","1.033","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158413","9.336","0.002","12.665","0.004","12.308","0.004","90","","104.355","0.014","90","","1409.9","0.7","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl O2 -","- C15 H23 Cl O2 -","- C60 H92 Cl4 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0466","0.0387","","","0.0904","0.0945","","","","","","1.046","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158414","5.702","0.004","17.711","0.008","14.235","0.006","90","","94.834","0.019","90","","1432.5","1.3","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Cl O -","- C15 H23 Cl O -","- C60 H92 Cl4 O4 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","","0.0408","","","","0.1136","","","","","","1.14","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158415","9.084","0.004","17.37","0.007","14.777","0.006","90","","95.273","0.006","90","","2321.8","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O5 -","- C26 H26 N2 O5 -","- C104 H104 N8 O20 -","4","1","","Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun","Yb(OTf)<sub>3</sub> catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.","Organic & biomolecular chemistry","2021","20","1","122","126","10.1039/d0ob02032j","","","0.71073","MoKα","","0.0661","0.0506","","","0.1629","0.1857","","","","","","1.047","","","","has coordinates","272752","2022-02-04","19:59:26",""
"7158416","9.3272","0.0008","13.2464","0.0012","18.7695","0.0016","90","","95.372","0.001","90","","2308.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N2 O6 -","- C27 H26 N2 O6 -","- C108 H104 N8 O24 -","4","1","","Wu, Chaofei; Wan, Junlin; Song, Chao; He, Lingchen; Liu, Hongxin; Li, Xinhua; Li, Juan; Hu, Xin-Gen; Xiao, Hong-Ping; Jiang, Jun","Yb(OTf)<sub>3</sub> catalyzed [1,3]-rearrangement of 3-alkenyl oxindoles.","Organic & biomolecular chemistry","2021","20","1","122","126","10.1039/d0ob02032j","","","0.71073","MoKα","","0.0423","0.0353","","","0.1019","0.1066","","","","","","1.073","","","","has coordinates","272752","2022-02-04","19:59:28",""
"7158417","7.8883","0.0006","8.1714","0.0007","10.3538","0.0008","71.537","0.002","79.335","0.002","70.634","0.003","594.83","0.08","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Br4 Cu2 F2 N4 -","- C18 H22 Br4 Cu2 F2 N4 -","- C18 H22 Br4 Cu2 F2 N4 -","1","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0288","0.0209","","","0.0451","0.0473","","","","","","1.068","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158418","9.9462","0.0008","11.8055","0.0009","7.1741","0.0007","90","","109.811","0.005","90","","792.53","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F N2 -","- C9 H7 F N2 -","- C36 H28 F4 N8 -","4","1","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0835","0.0771","","","0.2489","0.2555","","","","","","1.175","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158419","11.5858","0.0004","11.5858","0.0004","29.2335","0.0013","90","","90","","90","","3924","0.3","193","2","193","2","","","","","","","synthesis as described","7","I -4","I -4","82","","","","- C72 H108 Cl6 Cu4 F4 N8 O -","- C72 H108 Cl6 Cu4 F4 N8 O -","- C144 H216 Cl12 Cu8 F8 N16 O2 -","2","0.25","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0673","0.0452","","","0.1045","0.1152","","","","","","1.04","","","","has coordinates,has disorder","272749","2022-02-04","19:58:58",""
"7158420","15.8734","0.0006","17.3509","0.0007","6.6216","0.0003","90","","90","","90","","1823.71","0.13","193","2","193","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C10 H8 F N3 -","- C10 H8 F N3 -","- C80 H64 F8 N24 -","8","0.5","","Camats, Marc; Favier, Isabelle; Mallet-Ladeira, Sonia; Pla, Daniel; Gómez, Montserrat","Understanding Cu(II)-based systems for C(sp<sup>3</sup>)-H bond functionalization: insights into the synthesis of aza-heterocycles.","Organic & biomolecular chemistry","2021","20","1","219","227","10.1039/d1ob02118d","","","0.71073","MoKα","","0.0471","0.0398","","","0.1093","0.1184","","","","","","1.083","","","","has coordinates","272749","2022-02-04","19:58:58",""
"7158421","9.4275","0.0008","10.8201","0.0008","27.124","0.002","92.649","0.003","93.232","0.003","92.618","0.003","2756.2","0.4","190","","190","","","","","","","","","5","P 1","P 1","1","","","","- C20 H27 N2 O6 P -","- C20 H27 N2 O6 P -","- C100 H135 N10 O30 P5 -","5","5","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","1.34139","GaKα","","0.054","0.0462","","","0.1172","0.1243","","","","","","1.04","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158422","8.9945","0.0002","8.987","0.0002","14.4355","0.0003","90","","94.766","0.001","90","","1162.84","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H29 N2 O6 P -","- C21 H29 N2 O6 P -","- C42 H58 N4 O12 P2 -","2","1","","Meng, Fan-Jie; Shao, Bing-Ru; Velopolcek, Maria K.; Guo, Xuan; Feng, Guang-Shou; Shi, Lei","Redox deracemization of phosphonate-substituted dihydropyrimidines.","Organic & biomolecular chemistry","2021","19","48","10570","10574","10.1039/d1ob02079j","","","0.71073","MoKα","","0.0359","0.032","","","0.0848","0.0888","","","","","","1.054","","","","has coordinates,has disorder","271873","2022-01-06","21:57:58",""
"7158423","17.1924","0.0002","17.1924","0.0002","8.8177","0.0002","90","","90","","90","","2606.32","0.07","100","0.1","100","0.1","","","","","","","","3","I -4","I -4","82","","","","- C15 H12 Se2 -","- C15 H12 Se2 -","- C120 H96 Se16 -","8","1","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0147","0.0146","","","0.0368","0.0369","","","","","","1.065","","","","has coordinates","271875","2022-01-06","21:58:10",""
"7158424","9.1936","0.0002","12.7735","0.0003","17.6722","0.0004","73.363","0.002","79.2638","0.0018","71.888","0.002","1879.11","0.08","100.01","0.1","100.01","0.1","","","","","","","","3","P 1","P 1","1","","","","- C21 H24 Se2 -","- C21 H24 Se2 -","- C84 H96 Se8 -","4","4","","Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.","Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.","Organic & biomolecular chemistry","2021","19","48","10565","10569","10.1039/d1ob02153b","","x-ray","1.54184","CuKα","","0.0314","0.0292","","","0.0724","0.0748","","","","","","1.044","","","","has coordinates,has disorder","271875","2022-01-06","21:58:10",""
"7158428","8.9341","0.0004","10.7311","0.0005","12.8284","0.0005","73.101","0.002","82.359","0.002","83.312","0.002","1162.4","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O2 -","- C30.004 H28.009 O2 -","- C60.008 H56.018 O4 -","2","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0982","0.0546","","","0.1427","0.1833","","","","","","1.016","","","","has coordinates,has disorder","272750","2022-02-04","19:59:06",""
"7158429","13.5539","0.0007","17.8625","0.0008","12.4649","0.0009","90","","122.657","0.002","90","","2540.8","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H18 Br2 O -","- C33 H18 Br2 O -","- C132 H72 Br8 O4 -","4","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0635","0.0352","","","0.0752","0.0835","","","","","","0.954","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158430","31.9258","0.0015","18.7977","0.0009","8.245","0.0004","90","","96.472","0.002","90","","4916.6","0.4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H20 O2 -","- C34 H20 O2 -","- C272 H160 O16 -","8","1","","Baire, Beeraiah; Santhi, Jampani","Ag(I)-Promoted homo-dimerization of 2-(alk-2-yn-1-onyl)-1-alkynylbenzenes <i>via</i> a [4 + 2] cycloaddition of benzopyrylium ions: access to structurally unique naphthalenes.","Organic & biomolecular chemistry","2021","20","1","247","251","10.1039/d1ob02229f","","","0.71073","MoKα","","0.0894","0.0644","","","0.1611","0.1763","","","","","","1.083","","","","has coordinates","272750","2022-02-04","19:59:06",""
"7158431","21.4559","0.0018","8.8913","0.0008","17.8312","0.0016","90","","102.21","0.009","90","","3324.7","0.5","292.99","0.1","292.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N3 O3 -","- C17 H14 Br N3 O3 -","- C136 H112 Br8 N24 O24 -","8","2","","Li, Yi-Na; Li, Xue-Lin; Wu, Jin-Bo; Jiang, Hong; Liu, Yunmei; Guo, Yu; Zeng, Yao-Fu; Wang, Zhen","Metal-free regioselective nitration of quinoxalin-2(1<i>H</i>)-ones with <i>tert</i>-butyl nitrite.","Organic & biomolecular chemistry","2021","19","48","10554","10559","10.1039/d1ob02015c","","x-ray","0.71073","MoKα","","0.1298","0.0554","","","0.0981","0.1249","","","","","","1.018","","","","has coordinates","271874","2022-01-06","21:58:03",""
"7158432","11.7039","0.0006","17.6409","0.0008","15.4808","0.0007","90","","100.776","0.0011","90","","3139.9","0.3","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 N2 O2 -","- C43 H32 N2 O2 -","- C172 H128 N8 O8 -","4","1","","Zhang, Wande; Nawaz, Shah; Huang, Yue; Gong, Wenjing; Wei, Xingfu; Qu, Jingping; Wang, Baomin","C-4 benzofuranylation of pyrazolones by a metal-free catalyzed indirect heteroarylation strategy.","Organic & biomolecular chemistry","2021","19","46","10215","10222","10.1039/d1ob01920a","","","0.71073","MoKα","","0.0674","0.0425","","","0.0961","0.1041","","","","","","1","","","","has coordinates","271120","2021-12-06","06:50:29",""
"7158433","13.277","0.0009","10.5088","0.0007","27.5974","0.0019","90","","90","","90","","3850.5","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N O3 -","- C23 H18 Cl N O3 -","- C184 H144 Cl8 N8 O24 -","8","2","","Lu, Wen-Xiu; Xing, Jian; Sun, Yijia; Huang, Qinge; Deng, Zhenwei; Mao, Jian-Gang","Palladium-catalyzed and alcohol-enabled transformation to synthesize benzocyclic ketones.","Organic & biomolecular chemistry","2021","19","46","10210","10214","10.1039/d1ob01996a","","","0.71073","MoKα","","0.0713","0.0566","","","0.1493","0.1688","","","","","","1.106","","","","has coordinates","271121","2021-12-06","06:51:17",""
"7241419","14.167","0.0002","14.5777","0.0002","17.038","0.0002","89.14","0.001","79.848","0.001","62.998","0.001","3077.58","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H42 N8 O17 Zn2 -","- C76 H42 N8 O17 Zn2 -","- C152 H84 N16 O34 Zn4 -","2","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0412","0.0391","","","0.1126","0.1144","","","","","","1.041","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241420","18.6379","0.0002","11.3482","0.0001","28.6405","0.0003","90","","90","","90","","6057.66","0.11","120","0.1","120","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Zhang, Le-Tian; Xia, Bin; Zhang, Xia; Lu, Sha; Zhou, Xian-Xian; Li, Quan-Wen; Wang, Qing-Lun","Photochromism and photoresponsive luminescence in naphthalenediimide coordination polymers with high thermostability","CrystEngComm","2021","23","1","140","145","10.1039/D0CE01317J","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0684","0.0694","","","","","","1.073","","","","has coordinates","261594","2021-02-04","22:56:50",""
"7241434","21.8025","0.0003","26.2621","0.0004","29.1639","0.0004","90","","90","","90","","16698.6","0.4","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C38 H31 Ag4 N18 O4.5 -","- C38 H29 Ag4 N18 O4.5 -","- C608 H464 Ag64 N288 O72 -","16","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","1.54178","CuKα","","0.0331","0.0301","","","0.0769","0.0782","","","","","","1.027","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241435","14.8663","0.0011","7.3955","0.0008","20.839","0.002","90","","119.363","0.006","90","","1996.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Ag3 I N9 -","- C19 H11 Ag3 I N9 -","- C76 H44 Ag12 I4 N36 -","4","1","","Xue, Zhen-Zhen; Li, Xin-Yu; Xu, Lei; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Novel silver(i) cluster-based coordination polymers as efficient luminescent thermometers","CrystEngComm","2021","23","1","56","63","10.1039/D0CE01507E","","","0.71073","MoKα","","0.0959","0.0513","","","0.1049","0.1334","","","","","","0.992","","","","has coordinates","261599","2021-02-04","22:57:50",""
"7241447","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241448","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Wu, Lin-Hui; Yao, Shu-Li; Li, Jing; Xu, Hui; Zheng, Teng-Fei; Liu, Sui-Jun; Chen, Jing-Lin; Wen, He-Rui","A novel CdII-based metal‒organic framework as a multi-responsive luminescent sensor for Fe3+, MnO4−, Cr2O72−, salicylaldehyde and ethylenediamine detection with high selectivity and sensitivity","CrystEngComm","2021","23","2","482","491","10.1039/D0CE01575J","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261618","2021-02-04","23:01:50",""
"7241453","16.9329","0.0001","16.7397","0.0001","24.8806","0.0002","90","","90","","90","","7052.45","0.08","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3.61 H1.55 O2.06 S0.26 Zn0.39 -","- C3.6129 H1.41935 O2.06452 S0.258065 Zn0.387097 -","- C112 H44 O64 S8 Zn12 -","31","3.875","","Tu, Qian-Qian; Ren, Ling-Ling; Cheng, Ai-Ling; Gao, En-Qing","Fabrication of a dual-emitting RhB@Zn-1 composite as a recyclable luminescent sensor for sensitive detection of nitrofuran antibiotics","CrystEngComm","2021","23","3","629","637","10.1039/D0CE01483D","","","1.54184","CuKα","","0.0372","0.0347","","","0.0958","0.0974","","","","","","1.067","","","","has coordinates","261631","2021-02-04","23:04:54",""
"7241455","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.0662","0.0542","","","0.1442","0.1507","","","","","","1.09","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241456","8.016","0.0005","8.016","0.0005","15.1863","0.0012","90","","90","","120","","845.08","0.1","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Liu, Yu-Hua; Liu, Jun-Chao; Peng, Hang; Huang, Xue-Qin; Liao, Wei-Qiang; Wang, Zhong-Xia","A high-Tc organic-ionic phase transition crystal obtained from a trivalent cation","CrystEngComm","2021","23","2","264","267","10.1039/D0CE01654C","","","0.71073","MoKα","","0.1049","0.0887","","","0.229","0.2461","","","","","","1.01","","","","has coordinates","261624","2021-02-04","23:03:02",""
"7241457","9.4609","0.0008","10.3877","0.0009","11.0504","0.0008","115.254","0.003","107.794","0.003","90.967","0.003","921.44","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 O14 Tb -","- C16 H6 O14 Tb -","- C32 H12 O28 Tb2 -","2","1","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0237","0.0221","","","0.0558","0.0562","","","","","","1.129","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241458","7.9806","0.0008","9.954","0.0009","10.8426","0.0011","74.62","0.003","74.092","0.003","73.803","0.003","778.67","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 O25 Sm2 -","- C24 H8 O25 Sm2 -","- C24 H8 O25 Sm2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0242","0.0232","","","0.0605","0.0608","","","","","","1.136","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241459","16.982","0.002","10.8156","0.0015","20.008","0.002","90","","105.231","0.004","90","","3545.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H80 Gd4 O58 -","- C48 H12 Gd4 O58.372 -","- C96 H24 Gd8 O116.744 -","2","0.25","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0813","0.083","","","","","","1.142","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241460","9.3864","0.0007","10.0102","0.0007","10.3408","0.0008","107.622","0.003","99.379","0.003","110.08","0.003","830.17","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 O23 Y2 -","- C24 H6 O23 Y2 -","- C24 H6 O23 Y2 -","1","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0366","0.0323","","","0.0928","0.0946","","","","","","1.081","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241461","10.9491","0.0014","12.8463","0.0016","11.5619","0.0014","90","","102.493","0.004","90","","1587.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Gd2 O25 -","- C24 H8 Gd2 O25 -","- C48 H16 Gd4 O50 -","2","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.0254","0.0244","","","0.0622","0.0628","","","","","","1.082","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241462","26.912","0.002","26.912","","26.912","","90","","90","","90","","19491.2","1.4","296","2","296","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C16 H19 O15 Pr -","- C16 H6 O15 Pr -","- C384 H144 O360 Pr24 -","24","0.5","","Wang, Jinzeng; Suffren, Yan; Daiguebonne, Carole; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Guillou, Olivier","Lanthanide-based molecular alloys with hydroxyterephthalate: a versatile system","CrystEngComm","2021","23","1","100","118","10.1039/D0CE00947D","","x-ray","0.71073","MoKα","","0.1372","0.1222","","","0.3309","0.4051","","","","","","1.955","","","","has coordinates","261588","2021-02-04","22:55:25",""
"7241465","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","261586","2021-02-04","22:54:38",""
"7241466","10.23633","0.00014","16.7834","0.0003","13.50677","0.00018","90","","97.0002","0.0013","90","","2303.17","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0381","0.0315","","","0.0811","0.0862","","","","","","1.027","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241467","10.1802","0.00009","16.57028","0.00017","13.45064","0.00012","90","","97.078","0.0008","90","","2251.68","0.04","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0267","0.0249","","","0.064","0.0656","","","","","","1.026","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241468","10.15307","0.00007","16.4993","0.00013","13.41809","0.0001","90","","97.0345","0.0007","90","","2230.86","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0233","0.0226","","","0.058","0.0584","","","","","","1.039","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241469","10.20882","0.00012","16.6674","0.0002","13.48201","0.00016","90","","97.0862","0.0011","90","","2276.5","0.05","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0303","0.0273","","","0.07","0.0722","","","","","","1.005","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241470","10.22154","0.00011","16.7214","0.0002","13.49259","0.00015","90","","97.0519","0.0011","90","","2288.69","0.05","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Lee, See Mun; Lo, Kong Mun; Otero-de-la-Roza, A.; Tiekink, Edward R. T.","Experimental and computational evidence for a stabilising C‒Cl(lone-pair)⋯π(chelate-ring) interaction","CrystEngComm","2021","23","1","119","130","10.1039/D0CE01478H","","","1.54184","CuKα","","0.0322","0.0279","","","0.072","0.0754","","","","","","1.017","","","","has coordinates","261586","2021-02-04","22:54:41",""
"7241471","5.3989","0.0003","10.1581","0.0005","23.3868","0.0012","90","","90.508","0.002","90","","1282.54","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N2 O3 -","- C13 H18 N2 O3 -","- C52 H72 N8 O12 -","4","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.07","0.0667","","","0.2082","0.2145","","","","","","1.069","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241472","13.6157","0.0014","14.5331","0.0016","18.1322","0.0019","109.291","0.003","110.987","0.003","95.422","0.003","3068.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 N5 O10 Zn -","- C28 H41 N5 O10 Zn -","- C112 H164 N20 O40 Zn4 -","4","2","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1064","0.0901","","","0.2286","0.2389","","","","","","1.108","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241473","15.2574","0.0003","7.1581","0.0001","13.6618","0.0003","90","","102.27","0.0006","90","","1457.98","0.05","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C26 H32 Cu2 F6 N4 O6 Si -","- C26 H32 Cu2 F6 N4 O6 Si -","- C52 H64 Cu4 F12 N8 O12 Si2 -","2","0.25","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0357","0.0332","","","0.0931","0.0961","","","","","","1.079","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241474","9.4517","0.0014","10.1415","0.0014","10.5338","0.0015","107.386","0.007","91.631","0.008","92.042","0.008","962.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 N3 Ni O8 -","- C15 H25 N3 Ni O8 -","- C30 H50 N6 Ni2 O16 -","2","1","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.1196","0.0887","","","0.2411","0.2785","","","","","","1.02","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241475","11.8828","0.0004","7.2916","0.0002","17.5807","0.0006","90","","92.6591","0.0006","90","","1521.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu2 N6 O12 -","- C26 H34 Cu2 N6 O12 -","- C52 H68 Cu4 N12 O24 -","2","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","1.54178","CuKα","","0.0301","0.0297","","","0.0867","0.0874","","","","","","1.057","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241476","22.063","0.009","5.803","0.002","24.656","0.01","90","","105.727","0.007","90","","3039","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N4 Ni O9 -","- C32 H29 N4 Ni O9 -","- C128 H116 N16 Ni4 O36 -","4","0.5","","Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.","Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes","CrystEngComm","2021","23","1","153","162","10.1039/D0CE01204A","","","0.71073","MoKα","","0.1571","0.0705","","","0.1721","0.2291","","","","","","0.994","","","","has coordinates","261592","2021-02-04","22:56:38",""
"7241491","5.4383","0.0002","5.4383","0.0002","10.8455","0.0005","90","","90","","90","","320.76","0.02","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Cu1.94 S4 Sn Zn1.06 -","- Cu1.94 S4 Sn Zn1.06 -","- Cu3.88 S8 Sn2 Zn2.12 -","2","0.125","","Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V.","Cu2ZnSnS4 crystal growth using an SnCl2 based flux","CrystEngComm","2021","23","4","1025","1032","10.1039/D0CE01264E","","x-ray","0.71073","MoKα","","0.0092","0.0092","","","0.0224","0.0224","","","","","","1.053","","","","has coordinates","261608","2021-02-04","22:59:26",""
"7241492","22.0734","0.0004","4.4546","0.0001","22.931","0.0004","90","","95.154","0.002","90","","2245.65","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N4 O S3 -","- C8 H8 N4 O S3 -","- C64 H64 N32 O8 S24 -","8","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0234","0.0233","","","0.0621","0.0622","","","","","","1.042","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241493","6.976","0.0002","11.2345","0.0002","26.3305","0.0005","80.082","0.002","85.993","0.002","80.258","0.002","2001.65","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H24 Br2 N14 O4 S12 -","- C22 H24 Br2 N14 O4 S12 -","- C44 H48 Br4 N28 O8 S24 -","2","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0286","0.0236","","","0.0533","0.055","","","","","","1.035","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241494","9.325","0.0003","9.4506","0.0004","11.092","0.0004","108.119","0.003","91.734","0.003","112.132","0.004","848.43","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N5 O2 S5 -","- C13 H11 N5 O2 S5 -","- C26 H22 N10 O4 S10 -","2","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0236","0.0218","","","0.0542","0.0553","","","","","","1.048","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241495","17.0067","0.0003","4.5591","0.0001","24.5193","0.0003","90","","108.58","0.002","90","","1802.02","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N7 O6 S3 -","- C13 H11 N7 O6 S3 -","- C52 H44 N28 O24 S12 -","4","1","","Wzgarda-Raj, Kinga; Palusiak, Marcin; Wojtulewski, Sławomir; Rybarczyk-Pirek, Agnieszka J.","The role of sulfur interactions in crystal architecture: experimental and quantum theoretical studies on hydrogen, halogen, and chalcogen bonds in trithiocyanuric acid‒pyridine N-oxide co-crystals","CrystEngComm","2021","23","2","324","334","10.1039/D0CE01319F","","","1.54184","CuKα","","0.0281","0.0256","","","0.0661","0.0675","","","","","","1.059","","","","has coordinates","261623","2021-02-04","23:02:55",""
"7241499","12.279","0.004","13.059","0.005","16.422","0.006","89.384","0.006","86.725","0.005","64.779","0.005","2378.1","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C43.5 H34 Cl4 Cu N6 O8.5 -","- C87 H68 Cl8 Cu2 N12 O17 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1362","0.0775","","","0.2004","0.2266","","","","","","0.92","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241500","8.184","0.004","12.719","0.007","12.938","0.007","113.72","0.009","105.632","0.009","90.756","0.009","1176","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 Cu N5 O7 -","- C22 H19 Cu N5 O7 -","- C44 H38 Cu2 N10 O14 -","2","1","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1637","0.0773","","","0.1284","0.1512","","","","","","0.876","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241501","8.779","0.003","9.042","0.003","23.964","0.007","90","","97.906","0.004","90","","1884.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 Cu N8 O6 -","- C42 H30 Cu N8 O6 -","- C84 H60 Cu2 N16 O12 -","2","0.5","","Wang, Qi-Bao; Jing, Zi-Yan; Hu, Xiang-Ming; Lu, Wen-Xin; Wang, Peng","Synthesis, structure, and heterogeneous Fenton reaction of new Cu(ii)-based discrete Cu2Lx coordination complexes","CrystEngComm","2021","23","1","216","220","10.1039/D0CE01363C","","","0.71073","MoKα","","0.1","0.0571","","","0.1049","0.1174","","","","","","0.956","","","","has coordinates","261583","2021-02-04","22:52:58",""
"7241502","13.335","0.004","16.4","0.005","8.497","0.003","90","","93.567","0.005","90","","1854.6","1","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C15 H14 Ag F3 N4 O3 S -","- C15 H14 Ag F3 N4 O3 S -","- C60 H56 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0915","0.0745","","","0.1621","0.1709","","","","","","1.072","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241503","16.748","0.007","9.455","0.004","4.562","0.002","90","","100.666","0.008","90","","709.9","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","work","","","- C14 H18 N4 O2 -","- C14 H18 N4 O2 -","- C28 H36 N8 O4 -","2","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","0.71073","MoKα","","0.0615","0.049","","","0.1007","0.106","","","","","","1.021","","","","has coordinates,has disorder","261622","2021-02-04","23:02:47",""
"7241504","13.3761","0.0007","16.6393","0.001","8.5931","0.0005","90","","93.452","0.003","90","","1909.09","0.19","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","work","","","- C16 H16 Ag F3 N4 O3 S -","- C16 H16 Ag F3 N4 O3 S -","- C64 H64 Ag4 F12 N16 O12 S4 -","4","1","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0614","0.0525","","","0.1105","0.114","","","","","","0.989","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241505","17.2606","0.0004","10.9538","0.0003","8.1564","0.0002","90","","101.455","0.001","90","","1511.41","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","work","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","0.5","","Arhangelskis, Mihails; Van Meervelt, Luc; Dobrzańska, Liliana","Influence of ligand composition on crystal structure formation ‒ isostructurality and morphotropism","CrystEngComm","2021","23","2","317","323","10.1039/D0CE01302A","","","1.54178","CuKα","","0.0424","0.0382","","","0.1023","0.1049","","","","","","1.082","","","","has coordinates","261622","2021-02-04","23:02:47",""
"7241511","11.2878","0.0004","19.5609","0.0008","12.4512","0.0004","90","","93.307","0.002","90","","2744.64","0.17","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 Cl2 N5 O8 Pb -","- C21 H33 Cl2 N5 O8 Pb -","- C84 H132 Cl8 N20 O32 Pb4 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0319","0.0294","","","0.0726","0.0735","","","","","","1.137","","","","has coordinates","261619","2021-02-04","23:01:55",""
"7241512","8.3269","0.0002","18.7143","0.0005","16.6875","0.0005","90","","99.729","0.003","90","","2563.05","0.12","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H39 Br0.74 Cl1.26 N5 O6 -","- C21 H39 Br0.738 Cl1.262 N5 O6 -","- C84 H156 Br2.952 Cl5.048 N20 O24 -","4","1","","Esteban-Muriel, Agustín; Laglera-Gándara, Carlos J.; Mato-Iglesias, Marta; Tripier, Raphaël; Beyler, Maryline; de Blas, Andrés; Rodríguez-Blas, Teresa","A different approach: highly encapsulating macrocycles being used as organic tectons in the building of CPs","CrystEngComm","2021","23","2","453","464","10.1039/D0CE01499K","","x-ray","0.71073","MoKα","","0.0421","0.0315","","","0.0689","0.0742","","","","","","1.055","","","","has coordinates,has disorder","261619","2021-02-04","23:01:59",""
"7241513","16.7209","0.0003","17.2504","0.0005","27.8319","0.0007","90","","93.438","0.002","90","","8013.4","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene]propan-2-aminium methanol 2-{2-[(2-chloro-6-methylphenyl)amino]phenyl}acetate","","- C41.75 H35.98 Cl4 N5 O2.75 -","- C41.745 H35.982 Cl4 N5 O2.745 -","- C333.96 H287.856 Cl32 N40 O21.96 -","8","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.087","0.0592","","","0.1683","0.1928","","","","","","1.017","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241514","10.7319","0.0004","13.6005","0.0006","21.5496","0.0009","73.502","0.004","77.404","0.004","73.54","0.004","2859.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0777","0.0521","","","0.1376","0.1602","","","","","","1.024","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241515","12.5325","0.0005","13.1139","0.0003","13.1773","0.0004","82.032","0.002","71.833","0.003","74.538","0.003","1979.61","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium (1+) diclofenac (1-) ethanol solvate","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0596","0.0569","","","0.1599","0.1655","","","","","","1.068","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241516","11.9326","0.0003","15.2549","0.0004","16.0042","0.0004","89.161","0.002","70.57","0.002","69.693","0.002","2559.79","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium 1+ diclofenac 1- diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.052","0.0449","","","0.1215","0.1289","","","","","","1.042","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241517","10.4132","0.0005","21.2266","0.0007","25.0657","0.0007","66.238","0.003","89.969","0.003","86.658","0.003","5060.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","nonakis(2-hydroxybenzaldehyde) tetrakis(N-[(2E)-10- (4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium) tetrakis(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate) hydrate","","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","- C227 H188 Cl16 N20 O27 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0751","0.0595","","","0.1527","0.1709","","","","","","1.032","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241518","12.4461","0.0006","13.2751","0.0005","13.3667","0.0006","84.423","0.003","67.963","0.004","66.662","0.004","1876.21","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene]propan-2-aminium 2-{2- [(2,6-dichlorophenyl)amino]phenyl}acetate","","- C41 H33 Cl4 N5 O2 -","- C41 H33 Cl4 N5 O2 -","- C82 H66 Cl8 N10 O4 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0622","0.048","","","0.1247","0.1409","","","","","","1.028","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241519","11.6515","0.0003","11.7149","0.0003","16.0793","0.0004","103.558","0.002","90.461","0.002","105.25","0.002","2052.78","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2,10- dihydrophenazin-2-ylidene] propan-2-aminium acetonitrile 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate dihydrate","","- C43 H40 Cl4 N6 O4 -","- C43 H40 Cl4 N6 O4 -","- C86 H80 Cl8 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.032","0.0312","","","0.0795","0.0802","","","","","","1.032","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241520","10.8837","0.0002","14.4737","0.0003","17.7519","0.0004","101.568","0.002","105.173","0.002","94.286","0.002","2620.06","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","clofaziminium diclofenac (1-) diclofenac salt cocrystal","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [(2E)-10-(4-chlorophenyl)-3-[(4- chlorophenyl)amino]-2,10-dihydrophenazin-2- ylidene]propan-2-aminium 2-{2-[(2,6- dichlorophenyl)amino]phenyl}acetate","","- C55 H44 Cl6 N6 O4 -","- C55 H44 Cl6 N6 O4 -","- C110 H88 Cl12 N12 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.056","0.0504","","","0.1352","0.1407","","","","","","1.047","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241521","12.5818","0.0004","13.4486","0.0003","13.5318","0.0003","80.291","0.002","71.638","0.002","71.71","0.002","2057.12","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino] -2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethanol 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C43 H39 Cl4 N5 O3 -","- C43 H39 Cl4 N5 O3 -","- C86 H78 Cl8 N10 O6 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0549","0.05","","","0.1389","0.1455","","","","","","1.063","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241522","10.5086","0.0004","13.4783","0.0005","21.4224","0.0008","73.629","0.003","76.913","0.003","73.271","0.003","2752.92","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","pentakis(1-phenylpropan-1-one) bis(N-[(2E)-10-(4-chlorophenyl) -3-[(4-chlorophenyl)amino]-2,10-dihydrophenazin-2-ylidene] propan-2-aminium) bis(2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate)","","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","- C127 H116 Cl8 N10 O9 -","1","0.5","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0474","0.0351","","","0.0831","0.0903","","","","","","1.028","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241523","15.0569","0.0004","15.3773","0.0004","15.4247","0.0004","76.043","0.002","61.975","0.003","63.541","0.003","2820.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac ethylacetate solvate","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N- [10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium ethyl acetate 2-{2-[(2,6-dichlorophenyl)amino]phenyl} acetate","","- C59 H52 Cl6 N6 O6 -","- C59 H52 Cl6 N6 O6 -","- C118 H104 Cl12 N12 O12 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0455","0.0417","","","0.1175","0.1217","","","","","","1.052","","","","has coordinates","261597","2021-02-04","22:57:31",""
"7241524","15.0694","0.0011","15.2735","0.001","15.5991","0.0013","74.882","0.007","61.685","0.008","64.227","0.007","2839.6","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Clofaziminium 1+ diclofenac 1- diclofenac acetonitrile solvated cocrystal of salt","2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid N-[(2E)-10-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]- 2,10-dihydrophenazin-2-ylidene]propan-2-aminium bis(acetonitrile) 2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetate","","- C59 H50 Cl6 N8 O4 -","- C59 H50 Cl6 N8 O4 -","- C118 H100 Cl12 N16 O8 -","2","1","","Bodart, Laurie; Prinzo, Maria; Derlet, Amélie; Tumanov, Nikolay; Wouters, Johan","Taking advantage of solvate formation to modulate drug‒drug ratio in clofaziminium diclofenac salts","CrystEngComm","2021","23","1","185","201","10.1039/D0CE01400A","","","1.54184","CuKα","","0.0629","0.0496","","","0.1422","0.1589","","","","","","1.077","","","","has coordinates,has disorder","261597","2021-02-04","22:57:31",""
"7241525","11.3186","0.0013","15.9262","0.0017","11.5922","0.0013","90","","118.548","0.0012","90","","1835.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 Br10 N4 O2 Pb3 -","- C14 H36 Br10 N4 O2 Pb3 -","- C28 H72 Br20 N8 O4 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0684","0.0478","","","0.1565","0.1674","","","","","","1.11","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241526","11.3799","0.0008","14.9895","0.0011","11.4899","0.0008","90","","116.744","0.0008","90","","1750.3","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H36 Br10 N4 Pb3 -","- C12 H36 Br10 N4 Pb3 -","- C24 H72 Br20 N8 Pb6 -","2","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0726","0.0511","","","0.1486","0.1679","","","","","","0.9785","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241527","20.368","0.003","8.0895","0.0012","22.524","0.003","90","","114.569","0.0017","90","","3375.2","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H32 Br10 N4 Pb3 -","- C10 H32 Br10 N4 Pb3 -","- C40 H128 Br40 N16 Pb12 -","4","0.5","","Jing, Chang-Qing; Li, Jing-Zhao; Xu, Te; Jiang, Kuan; Zhao, Xue-Jie; Wu, Yu-Fang; Xue, Nian-Ting; Jing, Zhi-Hong; Lei, Xiao-Wu","Organic cations directed 1D [Pb3Br10]4− chains: syntheses, crystal structures, and photoluminescence properties","CrystEngComm","2021","23","2","292","298","10.1039/D0CE01457E","","","0.71073","MoKα","","0.0686","0.0474","","","0.1093","0.1207","","","","","","1.0423","","","","has coordinates","261614","2021-02-04","23:00:45",""
"7241528","43.481","0.007","21.109","0.003","22.589","0.004","90","","109.211","0.003","90","","19579","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 B12 Cl12 Cu N4 O4 -","- C44 H48 B12 Cl12 Cu N4 O4 -","- C352 H384 B96 Cl96 Cu8 N32 O32 -","8","1","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1325","0.0983","","","0.2539","0.2738","","","","","","1.11","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241529","13.943","0.003","14.893","0.003","15.01","0.003","94.689","0.004","104.281","0.004","115.487","0.004","2663","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","BSF-72","","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","- C48 H36 B12 Cl12 Cu2 N6 O4 -","1","0.5","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.1483","0.0754","","","0.2213","0.2465","","","","","","1.085","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241530","33.475","0.003","33.475","0.003","39.463","0.005","90","","90","","90","","44221","8","296","2","296","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","BSF-74","","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C68 H60 B24 Cl24 Cu2 N8 O4 -","- C1088 H960 B384 Cl384 Cu32 N128 O64 -","16","2","","Wang, Lingyao; Jiang, Tao; Duttwyler, Simon; Zhang, Yuanbin","Supramolecular Cu(ii)‒dipyridyl frameworks featuring weakly coordinating dodecaborate dianions for selective gas separation","CrystEngComm","2021","23","2","282","291","10.1039/D0CE01395A","","","0.71073","MoKα","","0.0922","0.0627","","","0.1693","0.1896","","","","","","1.023","","","","has coordinates","261627","2021-02-04","23:03:46",""
"7241531","29.813","0.006","4.787","0.002","9.861","0.002","90","0.03","90","0.03","90","0.03","1407.3","0.7","296.15","","296.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","Nicorandil-Fumaric acid salt","","","- C12 H13 N3 O8 -","- C12 H13 N3 O8 -","- C48 H52 N12 O32 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.0307","0.0284","","","0.069","0.0706","","","","","","1.072","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241532","6.835","0.002","23.752","0.005","8.939","0.002","90","","101.16","0.03","90","","1423.8","0.6","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Nicorandil-Subaric acid cocrystal","","","- C12 H16 N3 O6 -","- C12 H16 N3 O6 -","- C48 H64 N12 O24 -","4","1","","Mannava, M. K. Chaitanya; Gunnam, Anilkumar; Lodagekar, Anurag; Shastri, Nalini R.; Nangia, Ashwini K.; Solomon, K. Anand","Enhanced solubility, permeability, and tabletability of nicorandil by salt and cocrystal formation","CrystEngComm","2021","23","1","227","237","10.1039/D0CE01316A","","","0.71076","MoKα","","0.1291","0.0606","","","0.1345","0.1635","","","","","","1.015","","","","has coordinates","261590","2021-02-04","22:56:21",""
"7241533","12.695","0.0003","11.9208","0.0003","28.7356","0.0008","90","","93.129","0.002","90","","4342.21","0.19","173","0.1","173","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 N4 Nd2 O44 Zn8 -","- C64 H90 N4 Nd2 O44 Zn8 -","- C128 H180 N8 Nd4 O88 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0448","","","0.0953","0.1067","","","","","","1.07","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241534","13.0554","0.0006","12.0662","0.0006","26.2854","0.001","90","","94.196","0.004","90","","4129.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Er2 N6 O39 Zn8 -","- C66 H84 Er2 N6 O39 Zn8 -","- C132 H168 Er4 N12 O78 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0613","0.058","","","0.1667","0.1696","","","","","","1.086","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241535","35.0049","0.0013","12.2103","0.001","17.8898","0.0009","90","","91.002","0.003","90","","7645.3","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 N10 Ni2 O30 Tb2 -","- C54 H72 N10 Ni2 O30 Tb2 -","- C216 H288 N40 Ni8 O120 Tb8 -","4","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.064","0.0449","","","0.1006","0.1147","","","","","","1.058","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241536","12.8027","0.0009","11.7339","0.0008","28.8","0.002","90","","93.274","0.002","90","","4319.4","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 Dy2 N4 O40 Zn8 -","- C62 H78 Dy2 N4 O40 Zn8 -","- C124 H156 Dy4 N8 O80 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0546","0.0437","","","0.1218","0.1308","","","","","","1.028","","","","has coordinates","261607","2021-02-04","22:59:21",""
"7241537","11.3623","0.0004","15.8821","0.0006","20.216","0.0006","99.724","0.003","93.835","0.003","102.377","0.003","3491.9","0.2","173","10","173","10","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 N6 Ni3 O27 Tb2 -","- C54 H68 N6 Ni3 O27 Tb2 -","- C108 H136 N12 Ni6 O54 Tb4 -","2","1","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","1.54184","CuKα","","0.0516","0.0395","","","0.0957","0.1041","","","","","","1.037","","","","has coordinates","261607","2021-02-04","22:59:22",""
"7241538","12.6336","0.0015","11.8953","0.0014","28.764","0.004","90","","92.839","0.004","90","","4317.4","0.9","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H78 N4 O40 Tb2 Zn8 -","- C62 H78 N4 O40 Tb2 Zn8 -","- C124 H156 N8 O80 Tb4 Zn16 -","2","0.5","","Song, Xue-Qin; Xia, Xue-Li; Song, Fu-Qiang; Liu, Guo-Hua; Wang, Li","Tuning the coordination behavior of an unexplored asymmetric multidentate ligand for developing diverse heterometallic architectures with luminescent and magnetic properties","CrystEngComm","2021","23","4","1000","1012","10.1039/D0CE01298J","","","0.71073","MoKα","","0.0743","0.0584","","","0.1592","0.1728","","","","","","0.99","","","","has coordinates,has disorder","261607","2021-02-04","22:59:22",""
"7241541","13.353","0.003","10.6593","0.0016","13.978","0.003","90","","101.058","0.016","90","","1952.6","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cu2 I2 N2 S2 -","- C16 H14 Cu2 I2 N2 S2 -","- C64 H56 Cu8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0469","0.0418","","","0.1066","0.1102","","","","","","1.004","","","","has coordinates","261621","2021-02-04","23:02:25",""
"7241542","8.7415","0.0004","17.1309","0.0008","13.1531","0.0006","90","","95.007","0.003","90","","1962.16","0.16","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Br3 Cu3 N5 S4 -","- C34 H31 Br3 Cu3 N5 S4 -","- C68 H62 Br6 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.13","0.1047","","","0.2592","0.2926","","","","","","1.035","","","","has coordinates","261621","2021-02-04","23:02:29",""
"7241543","13.306","0.003","10.4481","0.0012","13.639","0.003","90","","99.86","0.015","90","","1868.1","0.6","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 Cu2 N2 S2 -","- C16 H14 Br2 Cu2 N2 S2 -","- C64 H56 Br8 Cu8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0628","0.0526","","","0.1395","0.1473","","","","","","1.061","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241544","8.8353","0.0002","16.7129","0.0005","13.6256","0.0004","90","","99.427","0.002","90","","1984.83","0.1","120","2","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H34 Cl3 Cu3 N6 S4 -","- C36 H34 Cl3 Cu3 N6 S4 -","- C72 H68 Cl6 Cu6 N12 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0697","0.0552","","","0.1542","0.1654","","","","","","1.032","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241545","19.2485","0.0011","16.5225","0.0008","21.3838","0.0011","90","","114.655","0.004","90","","6180.8","0.6","120","","120","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cu2 I2 N2 S2 -","- C28 H22 Cu2 I2 N2 S2 -","- C224 H176 Cu16 I16 N16 S16 -","8","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.06","0.0557","","","0.1558","0.159","","","","","","1.09","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241546","10.3178","0.0004","15.5879","0.0011","21.9885","0.0008","90","","90","","90","","3536.5","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cu5 I5 N5 S2 -","- C22 H23 Cu5 I5 N5 S2 -","- C88 H92 Cu20 I20 N20 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0297","0.0252","","","0.0556","0.0566","","","","","","1.065","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241547","10.6426","0.0012","11.6334","0.0014","12.1551","0.0015","108.021","0.009","107.195","0.009","98.463","0.009","1319.1","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 Br2 Cu2 N2 S2 -","- C28 H22 Br2 Cu2 N2 S2 -","- C56 H44 Br4 Cu4 N4 S4 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0398","0.0309","","","0.0784","0.0822","","","","","","1.026","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241548","8.7179","0.0009","16.8411","0.0017","12.8872","0.0013","90","","94.018","0.008","90","","1887.4","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H31 Cl4 Cu3 N5 S4 -","- C34 H31 Cl4 Cu3 N5 S4 -","- C68 H62 Cl8 Cu6 N10 S8 -","2","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.042","0.0386","","","0.0998","0.1017","","","","","","1.058","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241549","9.372","0.0003","14.5073","0.0009","16.6745","0.0007","90","","98.533","0.003","90","","2242.01","0.18","120","2","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 S2 -","- C28 H22 N2 S2 -","- C112 H88 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0666","0.0548","","","0.1369","0.1542","","","","","","1.153","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241550","13.3327","0.0008","11.2308","0.0004","13.8158","0.0008","90","","101.542","0.005","90","","2026.9","0.19","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Ag2 I2 N2 S2 -","- C16 H14 Ag2 I2 N2 S2 -","- C64 H56 Ag8 I8 N8 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0233","0.0194","","","0.0472","0.048","","","","","","1.074","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241556","23.6243","0.0003","7.4222","0.0001","15.1901","0.0002","90","","99.038","0.001","90","","2630.43","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl F4 N4 O7 -","- C26 H23 Cl F4 N4 O7 -","- C104 H92 Cl4 F16 N16 O28 -","4","1","","Jia, Jun-Long; Dai, Xia-Lin; Che, Hao-Jie; Li, Meng-Ting; Zhuang, Xiao-Mei; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystals of regorafenib with dicarboxylic acids: synthesis, characterization and property evaluation","CrystEngComm","2021","23","3","653","662","10.1039/D0CE01341B","","x-ray","1.54184","CuKα","","0.0481","0.0452","","","0.1197","0.1225","","","","","","1.045","","","","has coordinates,has disorder","261629","2021-02-04","23:04:42",""
"7241557","6.3151","0.0009","8.5815","0.0012","11.0306","0.0015","103.485","0.005","96.047","0.006","93.183","0.005","576.08","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0219","0.0213","","","0.0519","0.0524","","","","","","1.101","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241558","9.9907","0.0005","21.4967","0.0012","11.4868","0.0007","90","","103.673","0.002","90","","2397.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) tetramethylammonium iodide cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0182","0.0168","","","0.0399","0.0409","","","","","","1.113","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241559","6.9406","0.0006","20.4866","0.0016","8.7114","0.0007","90","","100.802","0.002","90","","1216.72","0.17","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C32 H24 F16 I10 N2 -","2","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0311","0.0262","","","0.0525","0.0553","","","","","","1.105","","","","has coordinates,has disorder","261615","2021-02-04","23:00:56",""
"7241560","10.04","0.0006","20.5136","0.001","12.0201","0.0007","90","","103.127","0.002","90","","2410.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(1,3-diiodo-2,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H12 F8 I5 N -","- C64 H48 F32 I20 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.018","0.0154","","","0.0332","0.0347","","","","","","1.148","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241561","11.7588","0.001","14.0711","0.0014","24.608","0.003","90","","90","","90","","4071.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tris(1,4-diiodo-2,3,5,6-tetrafluorobenzene) bis(tetramethylammonium iodide) cocrystal","","","- C26 H24 F12 I8 N2 -","- C26 H24 F12 I8 N2 -","- C104 H96 F48 I32 N8 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0367","0.034","","","0.08","0.0818","","","","","","1.037","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241562","8.6391","0.0007","8.8169","0.0008","9.5619","0.0008","81.638","0.003","69.762","0.003","63.334","0.003","610.64","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(1,4-diiodo-2,3,5,6-tetrafluorobenzene) 1,4-dimethylhexahydro-s-tetrazine cocrystal","","","- C8 H6 F4 I2 N2 -","- C8 H6 F4 I2 N2 -","- C16 H12 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0199","0.0196","","","0.0559","0.056","","","","","","1.307","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241563","7.334","0.0002","21.8848","0.0007","11.0627","0.0003","90","","98.85","0.001","90","","1754.46","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,3,5-trifluoro-2,4,6-triiodobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F3 I4 N -","- C10 H12 F3 I4 N -","- C40 H48 F12 I16 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0179","0.0166","","","0.038","0.0387","","","","","","1.114","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241564","22.6298","0.0011","6.9472","0.0003","7.9192","0.0004","90","","90","","90","","1245.01","0.1","150","2","150","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","bis(1,2-diiodo-3,4,5,6-tetrafluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C16 H12 F8 I5 N -","- C16 H14 F8 I5 N -","- C32 H28 F16 I10 N2 -","2","0.25","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0337","0.0238","","","0.0382","0.0402","","","","","","1.057","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241565","21.6106","0.0013","7.3407","0.0005","11.3729","0.0007","90","","90","","90","","1804.2","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(1,3,5-triiodo-2,4,6-trifluorobenzene) (tetramethylammonium iodide) cocrystal","","","- C10 H12 F3 I4 N -","- C10 H13 F3 I4 N -","- C40 H52 F12 I16 N4 -","4","0.5","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0211","0.0196","","","0.0467","0.0471","","","","","","1.281","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241566","7.5414","0.0014","22.618","0.004","9.2445","0.0018","90","","96.641","0.006","90","","1566.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-diiodo-3,4,5,6-tetrafluorobenzene tetramethylammonium iodide cocrystal","","","- C10 H12 F4 I3 N -","- C10 H12 F4 I3 N -","- C40 H48 F16 I12 N4 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0229","0.019","","","0.0431","0.0454","","","","","","1.124","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241579","10.4053","0.0002","32.028","0.0006","10.37836","0.00018","90","","93.2313","0.0018","90","","3453.2","0.11","136","1","136","1","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C45 H30 N4 -","- C45 H30 N4 -","- C180 H120 N16 -","4","1","","Han, Yanning; Zhang, Tong; Chen, Xinyu; Chen, Qiao; Xue, Pengchong","Spacer group-controlled luminescence and response of C3-symmetric triphenylamine derivatives towards force stimuli","CrystEngComm","2021","23","1","202","209","10.1039/D0CE01539C","","x-ray","1.54184","CuKα","","0.0688","0.0634","","","0.169","0.1778","","","","","","1.065","","","","has coordinates","261593","2021-02-04","22:56:43",""
"7241580","4.472","0.0002","15.3544","0.0005","13.1342","0.0004","90","","97.953","0.002","90","","893.18","0.06","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N4 O3 -","- C7 H10 N4 O3 -","- C28 H40 N16 O12 -","4","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0533","0.0476","","","0.1183","0.1213","","","","","","1.173","","","","has coordinates","261617","2021-02-04","23:01:31",""
"7241581","20.7314","0.0007","9.6579","0.0003","10.6217","0.0004","90","","92.531","0.002","90","","2124.62","0.13","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl N8 Na O10 -","- C14 H20 Cl N8 Na O10 -","- C56 H80 Cl4 N32 Na4 O40 -","4","0.5","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0379","0.0325","","","0.0908","0.0951","","","","","","1.044","","","","has coordinates,has disorder","261617","2021-02-04","23:01:35",""
"7241582","9.3613","0.0004","7.0465","0.0003","14.5134","0.0007","90","","103.023","0.002","90","","932.74","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H20 N6 O4 -","- C19 H20 N6 O4 -","- C38 H40 N12 O8 -","2","1","","Majodina, Siphumelele; Ndima, Lubabalo; Abosede, Olufunso O.; Hosten, Eric C.; Lorentino, Carolline M. A.; Frota, Heloísa F.; Sangenito, Leandro S.; Branquinha, Marta H.; Santos, André L. S.; Ogunlaja, Adeniyi S.","Physical stability enhancement and antimicrobial properties of a sodium ionic cocrystal with theophylline","CrystEngComm","2021","23","2","335","352","10.1039/D0CE01387K","","","0.71073","MoKα","","0.0539","0.0374","","","0.0812","0.087","","","","","","1.022","","","","has coordinates","261617","2021-02-04","23:01:45",""
"7241583","9.2408","0.0012","9.508","0.0013","12.6724","0.0018","90","","91.446","0.002","90","","1113.1","0.3","296","2","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H22 N4 O5 Zn -","- C20 H22 N4 O5 Zn -","- C40 H44 N8 O10 Zn2 -","2","0.5","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","","0.71073","MoKα","","0.0764","0.0475","","","0.1183","0.1324","","","","","","1.033","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241584","14.2908","0.0005","15.7878","0.0005","18.8266","0.0007","97.294","0.003","92.079","0.003","109.017","0.003","3969.7","0.3","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C75 H69 Cd3 N7 O15 -","- C75 H69 Cd3 N7 O15 -","- C150 H138 Cd6 N14 O30 -","2","1","","Wang, Jun; Rao, Congying; Lu, Lu; Zhang, Shile; Muddassir, Mohd; Liu, Jianqiang","Efficient photocatalytic degradation of methyl violet using two new 3D MOFs directed by different carboxylate spacers","CrystEngComm","2021","23","3","741","747","10.1039/D0CE01632B","","x-ray","1.54184","CuKα","","0.1034","0.0793","","","0.2047","0.232","","","","","","0.983","","","","has coordinates,has disorder","261633","2021-02-04","23:05:09",""
"7241590","5.2267","0.0002","28.5292","0.0012","10.3735","0.0005","90","","93.071","0.003","90","","1544.61","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C76 H64 N8 O12 -","4","1","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0667","0.051","","","0.1176","0.1254","","","","","","1.045","","","","has coordinates","261589","2021-02-04","22:55:57",""
"7241591","9.8518","0.0004","10.2278","0.0004","15.3791","0.0004","76.292","0.002","88.604","0.002","72.362","0.001","1432.83","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H33 F N2 O2 -","- C38 H33 F N2 O2 -","- C76 H66 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.0325","0.0315","","","0.087","0.0879","","","","","","1.073","","","","has coordinates","261589","2021-02-04","22:56:00",""
"7241592","9.8905","0.0005","10.1651","0.0004","16.7066","0.0007","104.665","0.002","94.546","0.002","106.011","0.002","1541.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 Br N O -","- C19 H16 Br N O -","- C76 H64 Br4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0522","0.0379","","","0.09","0.0986","","","","","","1.022","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241593","9.8313","0.0003","10.266","0.0003","15.7098","0.0005","101.103","0.001","92.295","0.001","106.83","0.001","1481.47","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H33 N3 O4 -","- C38 H33 N3 O4 -","- C76 H66 N6 O8 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","","1.54178","CuKα","","0.053","0.0471","","","0.1343","0.1403","","","","","","1.085","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241594","9.9188","0.0006","10.2275","0.0006","15.9392","0.0009","102.789","0.002","93.699","0.002","106.801","0.002","1495.16","0.15","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H32 Br F N2 O2 -","- C38 H32 Br F N2 O2 -","- C76 H64 Br2 F2 N4 O4 -","2","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.0228","0.0222","","","0.0571","0.0576","","","","","","1.039","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241595","9.9304","0.0009","10.2239","0.0009","15.3905","0.0014","74.356","0.008","86.699","0.008","72.907","0.008","1437.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 F N O -","- C19 H16 F N O -","- C76 H64 F4 N4 O4 -","4","2","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","0.71073","MoKα","","0.0864","0.0562","","","0.1122","0.1271","","","","","","1.041","","","","has coordinates","261589","2021-02-04","22:56:09",""
"7241596","10.2165","0.0005","30.0352","0.0015","57.342","0.003","89.578","0.003","87.451","0.002","80.285","0.002","17326.2","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O -","- C19 H17 N O -","- C912 H816 N48 O48 -","48","24","","Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A.","Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides","CrystEngComm","2021","23","1","210","215","10.1039/D0CE01331E","","x-ray","1.54178","CuKα","","0.1744","0.1222","","","0.3672","0.4119","","","","","","1.416","","","","has coordinates,has disorder","261589","2021-02-04","22:56:09",""
"7241597","5.896","0.0012","8.913","0.0018","36.162","0.007","90","","90","","90","","1900.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 -","- C23 H22 F N3 -","- C92 H88 F4 N12 -","4","1","","Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection","CrystEngComm","2021","23","1","221","226","10.1039/D0CE01195A","","","0.71073","MoKα","","0.0759","0.0552","","","0.1056","0.1131","","","","","","1.124","","","","has coordinates","261591","2021-02-04","22:56:28",""
"7241598","10.1575","0.001","30.064","0.003","13.2675","0.0009","90","","130.775","0.005","90","","3068.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Cd N5 O5 -","- C33 H31 Cd N5 O5 -","- C132 H124 Cd4 N20 O20 -","4","1","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0636","0.0533","","","0.1207","0.1268","","","","","","1.129","","","","has coordinates","261595","2021-02-04","22:57:03",""
"7241599","14.6265","0.0007","12.7279","0.0006","7.7874","0.0005","90","","97.902","0.005","90","","1435.97","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C76 H52 N20 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0505","0.0414","","","0.1138","0.141","","","","","","1.147","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7241604","12.7125","0.0006","8.0135","0.0003","12.9098","0.0006","90","","91.92","0.002","90","","1314.4","0.1","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","colchicine","","- C28 H31 N O9 S -","- C28 H31 N O9 S -","- C56 H62 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0524","0.0406","","","0.0911","0.1","","","","","","1.08","","","","has coordinates","261584","2021-02-04","22:53:16",""
"7241605","9.2402","0.0004","31.6946","0.0017","6.4645","0.0003","90","","101.052","0.002","90","","1858.11","0.15","180","","180","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H22 O6 S -","- C20 H22 O6 S -","- C80 H88 O24 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.04","0.0345","","","0.069","0.0713","","","","","","1.066","","","","has coordinates","261584","2021-02-04","22:53:22",""
"7241606","7.825","0.002","16.685","0.005","21.993","0.006","90","","90","","90","","2871.4","1.4","220","","220","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","colchicine","","- C32 H33 N O9 S -","- C32 H33 N O9 S -","- C128 H132 N4 O36 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1094","0.0524","","","0.0944","0.116","","","","","","1.015","","","","has coordinates","261584","2021-02-04","22:54:02",""
"7241607","12.858","0.003","8.1256","0.0019","13.356","0.003","90","","91.313","0.007","90","","1395.1","0.6","220","","220","","","","","","","","","5","P 1 21 1","P 2yb","4","colchicine","Colchicine-AII2","","- C29 H33 N O9 S -","- C29 H33 N O9 S -","- C58 H66 N2 O18 S2 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1155","0.0542","","","0.097","0.1199","","","","","","0.937","","","","has coordinates","261584","2021-02-04","22:54:05",""
"7241608","6.6868","0.0002","31.6978","0.0011","7.7242","0.0003","90","","93.655","0.001","90","","1633.87","0.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O5 S -","- C17 H20 O5 S -","- C68 H80 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0688","0.0446","","","0.0989","0.114","","","","","","1.06","","","","has coordinates","261584","2021-02-04","22:54:07",""
"7241609","6.8451","0.0003","9.0199","0.0004","12.2623","0.0006","81.489","0.002","78.81","0.002","70.464","0.001","697.12","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","hinokitiol","","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","- C30 H32 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0842","0.0507","","","0.1121","0.1358","","","","","","1.034","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241610","6.988","0.0002","30.2686","0.0008","6.251","0.0002","90","","90","","90","","1322.19","0.07","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","tropolone","","- C14 H14 O5 S -","- C14 H14 O5 S -","- C56 H56 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0446","0.0413","","","0.0953","0.0975","","","","","","1.041","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241611","7.0583","0.0002","8.1581","0.0003","10.068","0.0003","102.65","0.001","104.172","0.001","90.598","0.001","547.19","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","tropolone","","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","- C24 H20 O10 S2 -","1","0.5","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0371","0.033","","","0.0782","0.0815","","","","","","1.081","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241612","9.5417","0.0004","10.8327","0.0003","12.7884","0.0005","90","","101.427","0.001","90","","1295.64","0.08","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0506","0.0371","","","0.089","0.0982","","","","","","1.047","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241613","13.829","0.004","10.484","0.004","15.998","0.005","90","","110.885","0.006","90","","2167","1.2","205","","205","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H56 N2 O15 -","- C44 H56 N2 O15 -","- C88 H112 N4 O30 -","2","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1701","0.076","","","0.1676","0.2126","","","","","","0.958","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241614","15.4803","0.0005","12.7831","0.0004","12.1312","0.0005","90","","91.739","0.001","90","","2399.49","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropone","","- C24 H24 O10 S2 -","- C24 H24 O10 S2 -","- C96 H96 O40 S8 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.0623","0.0448","","","0.0987","0.1096","","","","","","1.027","","","","has coordinates","261584","2021-02-04","22:54:09",""
"7241615","6.7177","0.0011","16.233","0.003","14.53","0.003","90","","98.666","0.005","90","","1566.4","0.5","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","tropone","","- C17 H16 O5 S -","- C17 H16 O5 S -","- C68 H64 O20 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1204","0.0688","","","0.1283","0.149","","","","","","1.047","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241616","6.7888","0.0004","20.096","0.0012","13.5491","0.0008","90","","102.749","0.002","90","","1802.9","0.19","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tropolone","","- C17 H20 O8 S -","- C17 H20 O8 S -","- C68 H80 O32 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1","0.072","","","0.1395","0.1493","","","","","","1.159","","","","has coordinates,has disorder","261584","2021-02-04","22:54:09",""
"7241617","7.0962","0.0014","9.651","0.0019","11.031","0.002","80.82","0.03","77.59","0.03","88.31","0.03","728.4","0.3","293","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl N O7 -","- C12 H16 Cl N O7 -","- C24 H32 Cl2 N2 O14 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0774","0.0507","","","0.1222","0.1378","","","","","","1.057","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241618","6.9834","0.0014","7.8322","0.0016","16.383","0.003","79.08","0.03","86.83","0.03","83.81","0.03","874.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl N O5 -","- C18 H20 Cl N O5 -","- C36 H40 Cl2 N2 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0576","0.0413","","","0.1011","0.1089","","","","","","1.038","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241619","7.4548","0.0015","13.856","0.003","14.684","0.003","81.27","0.03","81.44","0.03","80.5","0.03","1466.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cl5 N O9 -","- C26 H26 Cl5 N O9 -","- C52 H52 Cl10 N2 O18 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0621","0.0374","","","0.0806","0.0906","","","","","","1.023","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241620","5.9469","0.0012","12.127","0.002","20.466","0.004","101.74","0.03","92","0.03","101.56","0.03","1411.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 Cl2 N3 O5 -","- C27 H35 Cl2 N3 O5 -","- C54 H70 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0582","0.039","","","0.0887","0.098","","","","","","1.033","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241621","14.01","0.003","17.797","0.004","7.0663","0.0014","90","","91.43","0.03","90","","1761.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N O6 -","- C17 H20 Cl N O6 -","- C68 H80 Cl4 N4 O24 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0785","0.0451","","","0.0946","0.1073","","","","","","1.031","","","","has coordinates,has disorder","261598","2021-02-04","22:57:40",""
"7241622","5.9277","0.0012","12.15","0.002","19.491","0.004","88.49","0.03","86.58","0.03","77.1","0.03","1365.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cl2 N3 O5 -","- C26 H33 Cl2 N3 O5 -","- C52 H66 Cl4 N6 O10 -","2","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0674","0.0431","","","0.0946","0.106","","","","","","1.024","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241623","15.699","0.003","8.7459","0.0017","14.834","0.003","90","","106.08","0.03","90","","1957.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 N O5 -","- C18 H18 Cl3 N O5 -","- C72 H72 Cl12 N4 O20 -","4","1","","Malapile, Ramokone Junia; Nyamayaro, Kudzanai; Nassimbeni, Luigi R.; Báthori, Nikoletta B.","Multicomponent crystals of baclofen with acids and bases—conformational flexibility and synthon versatility","CrystEngComm","2021","23","1","91","99","10.1039/D0CE01522A","","","0.71073","MoKα","","0.0416","0.0331","","","0.0813","0.0862","","","","","","1.035","","","","has coordinates","261598","2021-02-04","22:57:40",""
"7241635","13.8569","0.0003","4.8751","0.0001","18.186","0.0004","90","","98.164","0.002","90","","1216.08","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.048","0.042","","","0.1202","0.124","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241636","13.8433","0.0012","11.6707","0.0008","8.3343","0.0007","90","","100.376","0.007","90","","1324.48","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.1142","0.0767","","","0.222","0.2996","","","","","","1.067","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241637","6.8111","0.0003","7.3881","0.0003","27.5932","0.001","90","","90","","90","","1388.52","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0808","0.042","","","0.0923","0.1083","","","","","","1.015","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241638","8.2453","0.0002","9.1188","0.0003","11.2435","0.0004","77.692","0.002","86.278","0.002","86.449","0.002","823.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O4 -","- C16 H22 N2 O4 -","- C32 H44 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.058","0.0437","","","0.117","0.1289","","","","","","1.04","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241639","7.8029","0.0005","10.6573","0.0005","10.8703","0.0005","115.74","0.004","99.231","0.003","103.722","0.004","754.32","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C30 H40 N4 O8 -","2","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0993","0.0505","","","0.108","0.1226","","","","","","0.969","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241640","9.5709","0.0003","9.7281","0.0003","11.5654","0.0003","72.921","0.003","79.751","0.003","68.981","0.003","957.65","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","1","0.5","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","x-ray","1.54184","CuKα","","0.092","0.0667","","","0.203","0.2267","","","","","","1.096","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241641","4.9595","0.0015","7.185","0.003","7.507","0.003","90","","91.847","0.01","90","","267.37","0.17","103","2","103","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","- C2 H24 B4 N4 -","1","0.25","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0574","0.0479","","","0.123","0.1288","","","","","","1.093","","","","has coordinates","261616","2021-02-04","23:01:06",""
"7241642","8.168","0.0006","9.1913","0.0006","12.2517","0.0008","100.972","0.006","106.036","0.006","90.602","0.006","865.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H36 B2 N2 O -","- C13 H36 B2 N2 O -","- C26 H72 B4 N4 O2 -","2","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","1.54184","CuKα","","0.0539","0.0459","","","0.1223","0.1306","","","","","","1.047","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241643","7.7493","0.0012","10.0768","0.0015","8.8384","0.0015","90","","103.921","0.01","90","","669.9","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H14 B2 N2 -","- C2 H14 B2 N2 -","- C8 H56 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1489","0.0741","","","0.1442","0.174","","","","","","1.043","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241644","11.479","0.002","11.37","0.002","8.0519","0.0013","90","","107.516","0.004","90","","1002.2","0.3","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 B2 N2 -","- C6 H22 B2 N2 -","- C24 H88 B8 N8 -","4","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.1589","0.063","","","0.1115","0.143","","","","","","1.019","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241645","8.847","0.002","9.433","0.003","10.103","0.003","116.645","0.012","107.265","0.012","95.625","0.013","692.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","- C16 H52 B4 N4 O6 -","1","0.5","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0862","0.0457","","","0.0999","0.1231","","","","","","1.035","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241646","13.4684","0.0005","13.4684","0.0005","8.2997","0.0006","90","","90","","90","","1505.55","0.13","296","2","296","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0411","0.0351","","","0.1015","0.1106","","","","","","0.652","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241647","21.6","0.002","9.1048","0.0008","7.4175","0.0006","90","","103.733","0.003","90","","1417.1","0.2","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H16 B2 N2 -","- C3 H16 B2 N2 -","- C24 H128 B16 N16 -","8","1","","Li, Huizhen; Wang, Ruirui; Kang, Jiaxin; Li, Shujun; Zhou, Ai-Ju; Han, Dong-xue; Guan, Hong-Yu; Austin, Douglas J.; Yue, Yanfeng","Syntheses, formation mechanisms and structures of a series of linear diborazanes","CrystEngComm","2021","23","2","404","410","10.1039/D0CE01196G","","","0.71073","MoKα","","0.0547","0.0411","","","0.1044","0.111","","","","","","1.042","","","","has coordinates","261616","2021-02-04","23:01:16",""
"7241649","7.1176","0.0002","16.5556","0.0005","14.6211","0.0004","90","","98.965","0.001","90","","1701.85","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O5 S -","- C17 H17 N3 O5 S -","- C68 H68 N12 O20 S4 -","4","1","","Cioc, Răzvan C.; Lutz, Martin; Pidko, Evgeny A.; Crockatt, Marc; van der Waal, Jan C.; Bruijnincx, Pieter C. A.","Direct Diels‒Alder reactions of furfural derivatives with maleimides","Green Chemistry","2021","23","1","367","373","10.1039/D0GC03558K","","","0.71073","MoKα","","0.0443","0.0333","","","0.0866","0.0927","","","","","","1.033","","","","has coordinates","261712","2021-02-04","23:23:05",""
"7241701","27.8","0.001","27.8","0.001","21.5997","0.0008","90","","90","","120","","14456.7","0.9","100","2","100","","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C27 H41 Cu F6 N2 O1.5 Sb -","- C27 H41 Cu F6 N2 O1.5 Sb -","- C486 H738 Cu18 F108 N36 O27 Sb18 -","18","1","","Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika","Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.","Physical chemistry chemical physics : PCCP","2021","23","2","1577","1583","10.1039/d0cp05222a","","","0.71073","MoKα","","0.0412","0.0377","","","0.096","0.0982","","","","","","1.04","","","","has coordinates","261768","2021-02-04","23:31:54",""
"7241702","12.932","0.0005","16.4501","0.0006","24.4593","0.0009","90","","90","","90","","5203.3","0.3","100.01","","100.01","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H37 Au F6 N O Sb -","- C22 H37 Au F6 N O Sb -","- C176 H296 Au8 F48 N8 O8 Sb8 -","8","1","","Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika","Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.","Physical chemistry chemical physics : PCCP","2021","23","2","1577","1583","10.1039/d0cp05222a","","","0.71073","MoKα","","0.0349","0.0233","","","0.0427","0.0458","","","","","","1.05","","","","has coordinates","261768","2021-02-04","23:31:55",""
"7241703","8.4439","0.0003","11.196","0.0004","27.3426","0.001","90","","97.227","0.001","90","","2564.38","0.16","100","2","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cu F6 N O Sb -","- C22 H37 Cu F6 N O Sb -","- C88 H148 Cu4 F24 N4 O4 Sb4 -","4","1","","Muñoz-Castro, Alvaro; Wang, Guocang; Ponduru, Tharun Teja; Dias, H. V. Rasika","Synthesis and characterization of N-heterocyclic carbene-MOEt<sub>2</sub> complexes (M = Cu, Ag, Au). Analysis of solvated auxiliary-ligand free [(NHC)M]<sup>+</sup> species.","Physical chemistry chemical physics : PCCP","2021","23","2","1577","1583","10.1039/d0cp05222a","","","0.71073","MoKα","","0.0216","0.0194","","","0.0449","0.0457","","","","","","1.044","","","","has coordinates","261768","2021-02-04","23:31:55",""
"7241712","16.5183","0.0003","16.5183","0.0003","13.6408","0.0003","90","","90","","120","","3223.3","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Ce0.7 Cs0.3 P S4 -","- Ca0.3 Ce0.7 Cs0.300167 P S4 -","- Ca5.4 Ce12.6 Cs5.403 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0388","0.0387","","","0.1094","0.1095","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:23",""
"7241713","9.2095","0.0002","9.2341","0.0002","16.7221","0.0004","90","","103.946","0.0008","90","","1380.15","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca0.5 Cs0.5 P Pr0.5 S4 -","- Ca4 Cs4 P8 Pr4 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0287","0.0267","","","0.0631","0.0642","","","","","","1.116","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241714","16.4128","0.0003","16.4128","0.0003","13.4526","0.0003","90","","90","","120","","3138.36","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Sm0.7 -","- Ca0.3 Cs0.300167 P S4 Sm0.7 -","- Ca5.4 Cs5.403 P18 S72 Sm12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0352","0.0343","","","0.1061","0.1075","","","","","","0.98","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241715","16.4968","0.0004","16.4968","0.0004","13.5795","0.0003","90","","90","","120","","3200.47","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P Pr0.7 S4 -","- Ca0.3 Cs0.300167 P Pr0.7 S4 -","- Ca5.4 Cs5.403 P18 Pr12.6 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0327","","","0.0859","0.0859","","","","","","1.085","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241716","16.3458","0.0003","16.3458","0.0003","13.4242","0.0003","90","","90","","120","","3106.21","0.11","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca0.3 Cs0.3 Gd0.7 P S4 -","- Ca5.4 Cs5.4 Gd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0323","0.0323","","","0.091","0.091","","","","","","1.138","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241717","9.1603","0.0002","9.1898","0.0002","16.6882","0.0004","90","","103.687","0.0008","90","","1364.94","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca0.5 Cs0.5 Gd0.5 P S4 -","- Ca4 Cs4 Gd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0192","0.019","","","0.0403","0.0404","","","","","","1.039","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241718","9.197","0.0002","9.2233","0.0002","16.7149","0.0004","90","","103.871","0.0008","90","","1376.52","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca0.5 Cs0.5 Nd0.5 P S4 -","- Ca4 Cs4 Nd4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0259","0.025","","","0.0661","0.0668","","","","","","1.109","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241719","9.1378","0.0002","9.1727","0.0002","16.6704","0.0004","90","","103.678","0.0008","90","","1357.66","0.05","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca0.5 Cs0.5 Dy0.5 P S4 -","- Ca4 Cs4 Dy4 P8 S32 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0238","0.0237","","","0.0521","0.0522","","","","","","1.086","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241720","9.1479","0.0004","9.18","0.0004","16.6874","0.0007","90","","103.688","0.0015","90","","1361.57","0.1","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca0.5 Cs0.5 P S4 Tb0.5 -","- Ca4 Cs4 P8 S32 Tb4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0313","0.0311","","","0.0743","0.0744","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241721","16.3288","0.0004","16.3288","0.0004","13.322","0.0004","90","","90","","120","","3076.16","0.14","301","2","301.39","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Dy0.7 P S4 -","- Ca0.3 Cs0.300167 Dy0.7 P S4 -","- Ca5.4 Cs5.403 Dy12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0327","0.0311","","","0.0876","0.0897","","","","","","1.14","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241722","16.3448","0.0004","16.3448","0.0004","13.3425","0.0003","90","","90","","120","","3086.93","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca0.3 Cs0.3 P S4 Tb0.7 -","- Ca5.4 Cs5.4 P18 S72 Tb12.6 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0298","0.0298","","","0.0878","0.0878","","","","","","1.126","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241723","9.1778","0.0003","9.2037","0.0003","16.6857","0.0005","90","","103.778","0.0013","90","","1368.88","0.08","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca0.5 Cs0.5 P S4 Sm0.5 -","- Ca4 Cs4 P8 S32 Sm4 -","8","1","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0247","0.0231","","","0.0526","0.0534","","","","","","1.098","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241724","16.4932","0.0004","16.4932","0.0004","13.5289","0.0003","90","","90","","120","","3187.15","0.13","300","2","300","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ca0.3 Cs0.3 Nd0.7 P S4 -","- Ca0.3 Cs0.300333 Nd0.7 P S4 -","- Ca5.4 Cs5.406 Nd12.6 P18 S72 -","18","0.5","","Klepov, Vladislav V.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad","Dimensional reduction upon calcium incorporation in Cs0.3(Ca0.3Ln0.7)PS4 and Cs0.5(Ca0.5Ln0.5)PS4","CrystEngComm","2021","23","4","831","840","10.1039/D0CE01524E","","","0.71073","MoKα","","0.0332","0.033","","","0.0922","0.0924","","","","","","1.161","","","","has coordinates","261601","2021-02-04","22:58:24",""
"7241725","10.54","0.005","14.07","0.005","15.113","0.005","110.556","0.005","106.367","0.005","102.044","0.005","1891.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C56 H48 Ca2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.114","0.0563","","","0.1517","0.1726","","","","","","1.011","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241726","10.714","0.005","14.407","0.005","15.63","0.005","65.529","0.005","73.674","0.005","86.24","0.005","2103.8","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0559","0.0437","","","0.1189","0.1247","","","","","","1.024","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241727","10.77","0.005","14.128","0.005","15.073","0.005","110.391","0.005","107.23","0.005","101.991","0.005","1925.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C56 H48 N24 O34 S4 Sr2 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0743","0.0464","","","0.114","0.1228","","","","","","1.021","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241728","11.244","0.0006","13.9869","0.0008","14.8283","0.0008","109.442","0.002","111.672","0.002","99.695","0.002","1927.38","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Ba N12 O17 S2 -","- C28 H24 Ba N12 O17 S2 -","- C56 H48 Ba2 N24 O34 S4 -","2","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0763","0.0698","","","0.1878","0.1953","","","","","","1.036","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241729","16.623","0.004","10.715","0.002","25.723","0.006","90","","90.124","0.004","90","","4581.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N12 O17 S2 Sr -","- C28 H24 N12 O17 S2 Sr -","- C112 H96 N48 O68 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0968","0.0649","","","0.1783","0.1955","","","","","","1.048","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241730","16.5541","0.0013","10.4598","0.0008","25.6563","0.0019","90","","90.83","0.003","90","","4442","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Ca N12 O17 S2 -","- C28 H24 Ca N12 O17 S2 -","- C112 H96 Ca4 N48 O68 S8 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","1.34139","GaKα","","0.0745","0.0667","","","0.1923","0.1996","","","","","","1.033","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241731","27.899","0.003","15.2073","0.0016","39.875","0.005","90","","106.296","0.002","90","","16238","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Ba2 N24 O30 S4 -","- C56 H48 Ba2 N24 O30 S4 -","- C448 H384 Ba16 N192 O240 S32 -","8","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0616","0.0476","","","0.1157","0.1227","","","","","","1.015","","","","has coordinates,has disorder","261625","2021-02-04","23:03:19",""
"7241732","25.565","0.003","31.743","0.003","10.3985","0.0011","90","","90","","90","","8438.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H47 Ca2 N24 O34 S4 -","- C56 H47 Ca2 N24 O34 S4 -","- C224 H188 Ca8 N96 O136 S16 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71073","MoKα","","0.0639","0.06","","","0.1598","0.1629","","","","","","1.034","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241733","12.604","0.005","16.258","0.005","31.463","0.005","90","","97.344","0.005","90","","6394","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 N24 O23 S2 Sr -","- C46 H42 N24 O23 S2 Sr -","- C184 H168 N96 O92 S8 Sr4 -","4","1","","Chen, Kai; Hua, Zi-Yi; Li, Ran; Peng, Yu-Ying; Zhu, Qiang Zhao; Zhao, Jiang-Lin; Redshaw, Carl","Assemblies of cucurbit[6]uril-based coordination complexes with disulfonate ligands: from discrete complexes to one- and two-dimensional polymers","CrystEngComm","2021","23","2","465","481","10.1039/D0CE01456G","","","0.71069","MoKα","","0.0908","0.0592","","","0.1593","0.1729","","","","","","1.032","","","","has coordinates","261625","2021-02-04","23:03:19",""
"7241734","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.029","0.025","","","","0.048","0.037","","","","","1.023","","","","has coordinates","261606","2021-02-04","22:59:04",""
"7241735","6.1757","0.0002","5.9211","0.0002","7.7084","0.0003","90","","100.434","0.002","90","","277.212","0.017","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","RR-tartaric acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C8 H12 O12 -","2","1","","Mroz, Damian; Wang, Ruimin; Englert, Ulli; Dronskowski, Richard","Displacement parameters from density-functional theory and their validation in the experimental charge density of tartaric acid","CrystEngComm","2021","23","4","1052","1058","10.1039/D0CE01425G","","","0.71073","MoKα","","0.0377","0.0352","","","0.0864","0.0882","","","","","","1.12","","","","has coordinates","261606","2021-02-04","22:59:07",""
"7241741","14.329","0.0009","5.8217","0.0004","18.5725","0.0012","90","","93.903","0.002","90","","1545.71","0.18","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","- C72 H52 Cd4 O22 S4 -","1","0.5","","Hsu, Kai-Ting; Thanasekaran, Pounraj; Hsu, Ting-Wei; Su, Cing-Huei; Chang, Bor-Chen; Liu, Yen-Hsiang; Hung, Chen-Hsiung; Lu, Kuang-Lieh","A nonlinear optical cadmium(ii)-based metal‒organic framework with chiral helical chains derived from an achiral bent dicarboxylate ligand","CrystEngComm","2021","23","4","824","830","10.1039/D0CE01517B","","","0.71073","MoKα","","0.0551","0.0387","","","0.0571","0.0628","","","","","","1.067","","","","has coordinates","261609","2021-02-04","22:59:31",""
"7241748","12.46","0.014","10.231","0.01","18.54","0.02","90","","92.34","0.02","90","","2361","4","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","CUST-531","","- C25 H21 Cd N4 O5 -","- C25 H21 Cd N4 O5 -","- C100 H84 Cd4 N16 O20 -","4","1","","Fan, Ming Yue; Fu, Peng; Li, Jiao; Su, Zhong Min; Li, Xiao; Pan, Qing Qing; Hu, Xiao Li","2D luminescent metal‒organic framework: efficient and highly selective detection of 2,4,6-trinitrophenol at the ppb level","CrystEngComm","2021","23","4","929","934","10.1039/D0CE01581D","","","0.71073","MoKα","","0.0891","0.0566","","","0.1465","0.1673","","","","","","1.05","","","","has coordinates","261605","2021-02-04","22:58:57",""
"7241749","10.6427","0.0008","20.2187","0.0015","18.7795","0.0014","90","","93.18","0.001","90","","4034.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C35.4 H19 Cd3 N1.4 O16 S4 -","- C141.6 H76 Cd12 N5.6 O64 S16 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0574","0.0459","","","0.1061","0.1107","","","","","","1.126","","","","has coordinates","261612","2021-02-04","23:00:18",""
"7241750","13.2067","0.0016","15.497","0.0018","16.513","0.002","90","","108.694","0.002","90","","3201.3","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H22 Cd2 N2 O13 -","- C30 H22 Cd2 N2 O13 -","- C120 H88 Cd8 N8 O52 -","4","1","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Dan; Liu, Jiaming; Cheng, Fei-Xiang","Encapsulating organic guest cations in anionic MOFs that exhibit multi-responsive photochromism and photocontrolled luminescence","CrystEngComm","2021","23","4","850","856","10.1039/D0CE01545H","","","0.71073","MoKα","","0.0297","0.0284","","","0.0697","0.0704","","","","","","1.006","","","","has coordinates","261612","2021-02-04","23:00:19",""
"7241751","33.1757","0.0004","33.1757","0.0004","10.5521","0.0002","90","","90","","90","","11613.9","0.3","130.01","0.1","130.01","0.1","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H14 Ca2 O9 -","- C8 H14 Ca2 O9 -","- C256 H448 Ca64 O288 -","32","1","","Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez Arlt, Robin W.","The elusive crystals of calcium acetate hemihydrate: chiral rods linked by parallel hydrophilic strips","CrystEngComm","2021","23","3","707","713","10.1039/D0CE01590C","","x-ray","1.54184","CuKα","","0.0334","0.0293","","","0.0794","0.0829","","","","","","1.18","","","","has coordinates,has disorder","261630","2021-02-04","23:04:49",""
"7241758","18.2863","0.0011","11.3902","0.0006","30.447","0.002","90","","106.745","0.002","90","","6072.7","0.6","150","2","149.98","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H26 N8 O2 Zn -","- C36 H26 N8 O2 Zn -","- C288 H208 N64 O16 Zn8 -","8","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0447","0.0341","","","0.0842","0.088","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241759","3.8464","0.0001","11.0679","0.0003","35.2718","0.0009","90","","91.812","0.001","90","","1500.83","0.07","150","2","149.97","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C72 H60 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0562","0.046","","","0.1096","0.1155","","","","","","1.062","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241760","8.1129","0.0005","14.5881","0.0008","15.9877","0.0009","90","","93.22","0.002","90","","1889.19","0.19","150","2","150.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cd Cl2 N5 O -","- C18 H15 Cd Cl2 N5 O -","- C72 H60 Cd4 Cl8 N20 O4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0269","0.0189","","","0.0435","0.0456","","","","","","1.025","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241761","15.3928","0.001","10.6783","0.0007","19.4846","0.0012","90","","96.349","0.002","90","","3183","0.4","295","2","295.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cd N8 O2 -","- C36 H26 Cd N8 O2 -","- C144 H104 Cd4 N32 O8 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","1.54178","CuKα","","0.0299","0.0278","","","0.0674","0.0688","","","","","","1.05","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241762","29.63","0.002","29.63","0.002","8.9973","0.0007","90","","90","","90","","7899.1","1","150","2","149.98","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C40 H36 Cd2 N8 O8 -","- C40 H36 Cd2 N8 O8 -","- C320 H288 Cd16 N64 O64 -","8","0.5","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0449","0.0355","","","0.0859","0.0888","","","","","","1.095","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241763","13.4129","0.0008","18.8966","0.0012","15.1602","0.0009","90","","113.177","0.002","90","","3532.4","0.4","121","2","120.78","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N12 O8 Zn -","- C36 H30 N12 O8 Zn -","- C144 H120 N48 O32 Zn4 -","4","1","","Tómasson, Daníel Arnar; Ghosh, Dipankar; Kurup, M. R. Prathapachandra; Mulvee, Matthew T.; Damodaran, Krishna K.","Evaluating the role of a urea-like motif in enhancing the thermal and mechanical strength of supramolecular gels","CrystEngComm","2021","23","3","617","628","10.1039/D0CE01194K","","","0.71073","MoKα","","0.0533","0.0338","","","0.0744","0.0794","","","","","","1.018","","","","has coordinates","261634","2021-02-04","23:05:20",""
"7241765","24.878","0.004","6.8029","0.0013","20.937","0.004","90","","114.088","0.009","90","","3234.9","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 B F2 N3 -","- C18 H18 B F2 N3 -","- C144 H144 B8 F16 N24 -","8","2","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.1334","0.0767","","","0.1958","0.2158","","","","","","1.083","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241766","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","261626","2021-02-04","23:03:27",""
"7241767","14.9264","0.0012","11.4332","0.0009","10.9861","0.0008","90","","107.745","0.004","90","","1785.6","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B F2 I N3 -","- C18 H17 B F2 I N3 -","- C72 H68 B4 F8 I4 N12 -","4","1","","Ayhan, Mehmet Menaf; Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Coşut, Bünyemin","Carbon (sp3) tetrel bonding mediated BODIPY supramolecular assembly via unprecedented synergy of Csp3⋯N and Csp3⋯F pair interactions","CrystEngComm","2021","23","2","268","272","10.1039/D0CE01640C","","","0.71073","MoKα","","0.0345","0.029","","","0.0736","0.0769","","","","","","1.045","","","","has coordinates","261626","2021-02-04","23:03:27",""
"7241768","17.217","0.003","11.2747","0.0018","16.415","0.003","90","","117.459","0.003","90","","2827.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O10 -","- C64 H68 Cl4 N4 O10 -","- C128 H136 Cl8 N8 O20 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0337","0.0312","","","0.0892","0.0998","","","","","","1.15","","","","has coordinates","261613","2021-02-04","23:00:33",""
"7241769","17.1722","0.0016","11.3008","0.001","16.1727","0.0015","90","","117.16","0.002","90","","2792.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl4 N4 O7 -","- C64 H68 Cl4 N4 O7 -","- C128 H136 Cl8 N8 O14 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0541","0.0463","","","0.1454","0.1665","","","","","","1.154","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241770","16.524","0.0014","13.9309","0.0012","11.3445","0.0009","90","","107.39","0.003","90","","2492.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 Cl4 N4 O4 -","- C60 H54 Cl4 N4 O4 -","- C120 H108 Cl8 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.071","0.0643","","","0.1706","0.1824","","","","","","1.07","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241771","13.6415","0.0017","11.1851","0.0014","32.017","0.004","90","","90","","90","","4885.2","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C59 H52 Cl4 N4 O4 -","- C59 H52 Cl4 N4 O4 -","- C236 H208 Cl16 N16 O16 -","4","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.0737","0.0631","","","0.1729","0.1887","","","","","","1.288","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241772","16.397","0.004","13.84","0.003","11.647","0.003","90","","108.793","0.003","90","","2502.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl8 N4 O4 -","- C54 H48 Cl8 N4 O4 -","- C108 H96 Cl16 N8 O8 -","2","0.5","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","0.71073","MoKα","","0.0983","0.0552","","","0.148","0.1754","","","","","","1.037","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241773","11.8817","0.0005","13.9512","0.0006","30.8666","0.0013","90","","90","","90","","5116.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H46 Cl10 N4 O4 -","- C54 H46 Cl10 N4 O4 -","- C216 H184 Cl40 N16 O16 -","4","1","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.1019","0.0584","","","0.1336","0.1537","","","","","","1.03","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241774","23.896","0.008","4.9911","0.0017","13.723","0.004","90","","102.782","0.012","90","","1596.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-N'-[(E)-(2-propoxyphenyl)methylidene]benzohydrazide","","- C18 H20 N2 O3 -","- C18 H20 N2 O3 -","- C72 H80 N8 O12 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1123","0.0581","","","0.1165","0.1382","","","","","","1.008","","","","has coordinates","261604","2021-02-04","22:58:52",""
"7241775","9.695","0.008","24.699","0.009","9.476","0.007","90","","90","","90","","2269","3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-N'-(4-(?nyloxy)benzylidene)-2-phenylacetohydrazide","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","1","","Ahmed, Muhammad Naeem; Arif, Muneeba; Andleeb, Hina; Ali Shah, Syed Wadood; Arshad, Ifzan; Tahir, Muhammad Nawaz; Rocha, Mariana; Gil, Diego M.","Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies","CrystEngComm","2021","23","4","955","971","10.1039/D0CE01402H","","","0.71073","MoKα","","0.1398","0.0542","","","0.1035","0.1303","","","","","","1.005","","","","has coordinates","287885","2023-11-30","13:18:06",""
"7241776","12.2984","0.0006","13.0766","0.0007","13.096","0.0007","74.6019","0.0008","67.9382","0.0008","87.6692","0.0008","1877.72","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0729","0.0396","","","0.0905","0.1048","","","","","","1.011","","","","has coordinates,has disorder","261602","2021-02-04","22:58:37",""
"7241777","12.311","0.0007","13.0867","0.0007","13.1261","0.0007","74.639","0.0009","67.9332","0.0008","87.7934","0.0009","1885.41","0.18","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0895","0.0431","","","0.0983","0.1235","","","","","","1.001","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241778","6.5823","0.0017","11.601","0.003","13.001","0.003","91.653","0.004","103.841","0.004","99.765","0.005","947.5","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1069","0.0464","","","0.0777","0.0982","","","","","","0.929","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241779","12.2327","0.0007","13.0214","0.0007","13.0009","0.0007","74.4145","0.0018","68.2545","0.0017","87.4839","0.0018","1849.19","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1059","0.048","","","0.0941","0.1178","","","","","","1.025","","","","has coordinates","261602","2021-02-04","22:58:41",""
"7241780","6.608","0.002","11.633","0.003","13.025","0.005","91.803","0.008","104.018","0.006","99.843","0.017","954.3","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.063","0.0395","","","0.0869","0.0996","","","","","","1.044","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241781","12.3254","0.0009","13.0852","0.0009","13.141","0.0009","74.6086","0.0012","68.004","0.0012","87.9267","0.0012","1889.9","0.2","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.174","0.0564","","","0.0819","0.1114","","","","","","1.017","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241782","6.5859","0.0003","11.5949","0.0005","13.0118","0.0006","91.61","0.002","103.887","0.002","99.737","0.002","948.23","0.07","250","2","250","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","1","0.5","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.0556","0.0383","","","0.082","0.0916","","","","","","1.013","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241783","12.3144","0.0009","13.0777","0.0009","13.1092","0.0009","74.5741","0.0012","68.0058","0.0011","87.79","0.0012","1882.6","0.2","210","2","210","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Strothmann, Robert; van Terwingen, Steven; Kalf, Irmgard; Englert, Ulli","Systematic screening for k type phase transitions ‒ general approach and positive example for a binuclear Cu(ii) paddlewheel structure","CrystEngComm","2021","23","4","841","849","10.1039/D0CE01559H","","","0.71073","MoKα","","0.1581","0.0534","","","0.0889","0.1232","","","","","","0.914","","","","has coordinates,has disorder","261602","2021-02-04","22:58:41",""
"7241784","16.1282","0.0012","8.4944","0.0006","16.6337","0.0012","90","","105.159","0.002","90","","2199.5","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Eu O11 -","- C23 H20 Eu O11 -","- C92 H80 Eu4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0379","0.0295","","","0.0741","0.0759","","","","","","1.013","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241785","16.089","0.003","8.4482","0.0014","16.397","0.003","90","","105.373","0.005","90","","2149","0.7","150","2","149.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Dy O11 -","- C23 H20 Dy O11 -","- C92 H80 Dy4 O44 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0254","0.0219","","","0.0474","0.0491","","","","","","1.093","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241786","16.108","0.003","8.4565","0.0017","16.414","0.003","90","","105.37","0.006","90","","2155.9","0.7","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tb","","- C23 H20 O11 Tb -","- C23 H20 O11 Tb -","- C92 H80 O44 Tb4 -","4","1","","Wang, Jiao-Min; Zhang, Peng-Feng; Cheng, Jian-Guo; Wang, Yao; Ma, Lu-Lu; Yang, Guo-Ping; Wang, Yao-Yu","Luminescence tuning and sensing properties of stable 2D lanthanide metal‒organic frameworks built with symmetrical flexible tricarboxylic acid ligands containing ether oxygen bonds","CrystEngComm","2021","23","2","411","418","10.1039/D0CE01528H","","","0.71073","MoKα","","0.0192","0.0169","","","0.0391","0.04","","","","","","1.079","","","","has coordinates","261620","2021-02-04","23:02:10",""
"7241791","28.8613","0.0002","28.8613","0.0002","47.8704","0.0004","90","","90","","120","","34532.6","0.4","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H21 N4 O16 Sc3 -","- C40 H20 N4 O16 Sc3 -","- C720 H360 N72 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0667","0.0559","","","0.1613","0.1701","","","","","","1.031","","","","has coordinates","261611","2021-02-04","23:00:10",""
"7241792","28.817","0.0007","28.817","0.0007","47.9423","0.0007","90","","90","","120","","34478.4","1.3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H20 N5 O18 Sc3 -","- C40 H19 N5 O18 Sc3 -","- C720 H342 N90 O324 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.1046","0.0653","","","0.184","0.2103","","","","","","1.008","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241793","28.8727","0.0019","28.8727","0.0019","47.845","0.003","90","","90","","120","","34542","4","173","","173","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C40 H22 N5 O16 Sc3 -","- C40 H21 N5 O16 Sc3 -","- C720 H378 N90 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0665","0.0566","","","0.1736","0.1842","","","","","","1.076","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241794","31.808","0.0016","31.808","0.0016","16.9754","0.0008","90","","90","","120","","14873.8","1.3","173","","173","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C58 H38 N O16 Sc3 -","- C58 H38 N O16 Sc3 -","- C348 H228 N6 O96 Sc18 -","6","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0414","0.0405","","","0.1114","0.1124","","","","","","1.037","","","","has coordinates","261611","2021-02-04","23:00:11",""
"7241795","28.7845","0.0015","28.7845","0.0015","48.405","0.003","90","","90","","120","","34733","3","125","","125","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C42.67 H23.67 N1.33 O16 Sc3 -","- C42.6667 H22.6667 N1.3333 O16 Sc3 -","- C768.001 H408.001 N23.9994 O288 Sc54 -","18","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54184","CuKα","","0.224","0.1208","","","0.3273","0.4338","","","","","","0.919","","","","has coordinates,has disorder","261611","2021-02-04","23:00:11",""
"7241796","6.28","0.0013","11.263","0.002","13.232","0.003","100.71","0.03","96.26","0.03","96.09","0.03","906.5","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","- C42 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0492","0.0481","","","0.1332","0.1344","","","","","","1.07","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241797","6.3","0.0013","15.21","0.003","17.39","0.004","112.89","0.03","91.22","0.03","93.74","0.03","1529.9","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","- C74 H82 N4 O10 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1191","0.1015","","","0.2749","0.2934","","","","","","1.077","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241798","8.2759","0.0002","11.7985","0.0002","13.6442","0.0003","85.64","0.002","75.452","0.002","86.886","0.002","1284.96","0.05","122.99","0.1","122.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C49 H70 N3 O17.5 -","- C49 H63 N3 O17.5 -","- C49 H63 N3 O17.5 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","x-ray","1.54184","CuKα","","0.0871","0.078","","","0.2317","0.2445","","","","","","1.075","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241799","7.67","0.0002","8.6982","0.0003","16.1026","0.0003","97.309","0.002","100.27","0.002","113.335","0.003","947.06","0.05","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","- C46 H46 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0587","0.046","","","0.1251","0.1331","","","","","","1.066","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241800","33.9304","0.0005","12.9471","0.0002","11.1617","0.0002","90","","91.193","0.001","90","","4902.28","0.14","123.01","0.1","123.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Cd2 N3 O11 -","- C50 H55 Cd2 N3 O11 -","- C200 H220 Cd8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0498","0.0443","","","0.1199","0.124","","","","","","1.053","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241801","26.397","0.005","11.976","0.002","29.443","0.006","90","","97.51","0.03","90","","9228","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd2 N2 O8 -","- C62 H50 Cd2 N2 O8 -","- C248 H200 Cd8 N8 O32 -","4","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.95372","Synchrotron","","0.1289","0.1017","","","0.2892","0.3192","","","","","","1.079","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241802","34.247","0.007","13.083","0.003","10.812","0.002","90","","91.17","0.03","90","","4843.3","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H55 Mn2 N3 O11 -","- C50 H55 Mn2 N3 O11 -","- C200 H220 Mn8 N12 O44 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0963","0.0733","","","0.2167","0.2449","","","","","","1.05","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241803","9.469","0.0019","10.395","0.002","10.692","0.002","98.87","0.03","96.95","0.03","96.11","0.03","1023.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","- C38 H50 Cd2 Cl2 N2 O15 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0288","0.0281","","","0.0721","0.0726","","","","","","1.125","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241804","7.61","0.0015","8.14","0.0016","19.08","0.004","92.58","0.03","97.1","0.03","97.29","0.03","1161.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","- C62 H54 N2 O8 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0679","0.0662","","","0.1874","0.1899","","","","","","1.054","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241805","10.508","0.002","14.186","0.003","14.263","0.003","111.15","0.03","97.39","0.03","90.01","0.03","1964","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H47.5 N3.5 Na O9.5 Zn -","- C41.5 H42 N3.5 Na O9.5 Zn -","- C83 H84 N7 Na2 O19 Zn2 -","2","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1048","0.0853","","","0.2361","0.2662","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241806","22.93","0.005","17.33","0.004","8.03","0.0016","90","","95.24","0.03","90","","3177.6","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H72 Cd2 N4 O14 -","- C68 H72 Cd2 N4 O14 -","- C136 H144 Cd4 N8 O28 -","2","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710757","Synchrotron","","0.0371","0.032","","","0.0808","0.0839","","","","","","1.061","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241807","20.8995","0.0002","21.0392","0.0002","32.8802","0.0003","90","","94.498","0.001","90","","14413.2","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C43.25 H49.25 N3.75 O11.75 Zn2.5 -","- C346 H394 N30 O94 Zn20 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","1.54184","CuKα","","0.0723","0.0662","","","0.2134","0.2197","","","","","","1.081","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241808","12.159","0.002","31.183","0.006","12.689","0.003","90","","90","","90","","4811.1","1.7","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H44 Cu2 N2 O10 -","- C46 H40 Cu2 N2 O10 -","- C184 H160 Cu8 N8 O40 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.2624","0.1657","","","0.4227","0.4812","","","","","","1.309","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241809","20.898","0.004","21.113","0.004","32.881","0.007","90","","95.06","0.03","90","","14451","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C40.25 H42.25 Co2.5 N2.75 O10.75 -","- C322 H338 Co20 N22 O86 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1368","0.1","","","0.3111","0.352","","","","","","1.255","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241810","23.24","0.005","30.59","0.006","33.17","0.007","74.89","0.03","77.68","0.03","86.47","0.03","22241","9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H50 N2 O8.67 Zn2.67 -","- C62 H50 N2 O8.66667 Zn2.66667 -","- C372 H300 N12 O52 Zn16 -","6","3","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1579","0.1349","","","0.3863","0.4179","","","","","","1.794","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241811","6.196","0.0012","14.364","0.003","15.756","0.003","79.97","0.03","79.48","0.03","80.88","0.03","1346","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","- C44 H50 N4 O12 Zn3 -","1","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0947","0.0846","","","0.2479","0.2613","","","","","","1.091","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241812","16.386","0.003","11.425","0.002","26.726","0.005","90","","100.53","0.03","90","","4919.1","1.6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cu N2 O5 -","- C22 H24 Cu N2 O5 -","- C176 H192 Cu8 N16 O40 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710877","Synchrotron","","0.1717","0.1425","","","0.3401","0.373","","","","","","1.135","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241813","37.413","0.008","12.588","0.003","11.684","0.002","90","","103.43","0.03","90","","5352","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 N4 O10 Zn2 -","- C51 H52 N4 O10 Zn2 -","- C204 H208 N16 O40 Zn8 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.710752","Synchrotron","","0.1071","0.0991","","","0.2857","0.2965","","","","","","1.286","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241814","32.349","0.007","12.005","0.002","26.75","0.005","90","","100.76","0.03","90","","10206","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C42.5 H44.5 Co K2 N3.5 O9.5 -","- C340 H356 Co8 K16 N28 O76 -","8","1","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.1514","0.1093","","","0.3293","0.3634","","","","","","1.223","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241815","12.33","0.003","18.33","0.004","18.92","0.004","66.42","0.03","77.02","0.03","74.7","0.03","3745.7","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43.33 N3.33 Na1.33 O9.33 Zr0.67 -","- C42 H43.3333 N3.33333 Na1.33333 O9.33333 Zr0.666667 -","- C126 H130 N10 Na4 O28 Zr2 -","3","1.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0755","0.0663","","","0.1925","0.2055","","","","","","1.051","","","","has coordinates","261636","2021-02-04","23:06:12",""
"7241816","29.68","0.006","30.61","0.006","13.46","0.003","90","","98.91","0.03","90","","12081","4","100","","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43 H51 N3 O18 Zr3 -","- C43 H51 N3 O18 Zr3 -","- C172 H204 N12 O72 Zr12 -","4","0.5","","Chahine, Ali Y.; Turner, David R.; Batten, Stuart R.","Crystal engineering of coordination polymers using flexible tetracarboxylate linkers with embedded cyclohexyldiamine cores","CrystEngComm","2021","23","3","569","590","10.1039/D0CE01620A","","","0.71073","Synchrotron","","0.0859","0.069","","","0.2152","0.2261","","","","","","1.116","","","","has coordinates,has disorder","261636","2021-02-04","23:06:12",""
"7241817","9.5466","0.0003","17.6942","0.0006","20.2248","0.0007","90","","101.2","0.002","90","","3351.3","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cl4 Cu4 N8 O28 -","- C56 H56 Cl4 Cu4 N8 O28 -","- C112 H112 Cl8 Cu8 N16 O56 -","2","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0759","0.0533","","","0.1524","0.1787","","","","","","1.052","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241818","9.3595","0.0003","12.4592","0.0004","14.5015","0.0004","87.821","0.001","72.827","0.001","68.258","0.001","1495.86","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","- C56 H56 Cl2 Cu4 N8 O20 -","1","0.5","","Akhtaruzzaman,; Mohammad, Mukti; Khan, Samim; Dutta, Basudeb; Maity, Suvendu; Naaz, Sanobar; Alam, Seikh Mafiz; Ghosh, Prasanta; Islam, Md. Maidul; Mir, Mohammad Hedayetullah","One-pot crystallization of two 1,4-cyclohexanedicarboxylate-based tetranuclear Cu(ii) compounds and their DNA binding affinities","CrystEngComm","2021","23","5","1091","1098","10.1039/D0CE01734E","","","0.71073","MoKα","","0.0641","0.0463","","","0.1246","0.1356","","","","","","1.047","","","","has coordinates","262563","2021-03-05","01:44:35",""
"7241819","12.9186","0.0005","13.6147","0.0006","21.739","0.0008","89.925","0.003","81.101","0.003","76.021","0.003","3663","0.3","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C71 H78 N O35 -","- C71 H63 N O35 -","- C142 H126 N2 O70 -","2","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.12","0.1055","","","0.2839","0.2965","","","","","","0.993","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241820","35.528","0.0003","12.9487","0.0001","33.1933","0.0003","90","","105.019","0.001","90","","14748.7","0.2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C66 H81 Mg N2 O41.5 -","- C66 H58 Mg N2 O41.5 -","- C528 H464 Mg8 N16 O332 -","8","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1045","0.0994","","","0.2833","0.289","","","","","","0.967","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241821","21.8515","0.0014","12.375","0.0006","27.435","0.002","90","","112.883","0.009","90","","6834.9","0.9","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H79 N2 O36.5 -","- C69 H67.11 N2 O36.5 -","- C276 H268.44 N8 O146 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.1278","0.0716","","","0.1803","0.2038","","","","","","0.881","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241822","21.4549","0.0004","12.5308","0.0001","26.2757","0.0004","90","","111.934","0.002","90","","6552.8","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H72.54 N2 O35.27 -","- C66.992 H60.57 N2 O35.373 -","- C267.968 H242.28 N8 O141.492 -","4","1","","Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana","Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives","CrystEngComm","2021","23","5","1075","1082","10.1039/D0CE01579B","","","1.54184","CuKα","","0.0938","0.0695","","","0.1993","0.2187","","","","","","1.065","","","","has coordinates,has disorder","262569","2021-03-05","01:45:45",""
"7241823","36.336","0.004","36.336","0.004","36.336","0.004","90","","90","","90","","47975","9","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C114 H135 Cu12 N24 O36 -","- C114 H135 Cu12 N24 O36 -","- C912 H1080 Cu96 N192 O288 -","8","0.333333","","Dinca, Alina S.; Dogaru, Andreea; Ion, Adrian E.; Nica, Simona; Dumitrescu, Dan; Shova, Sergiu; Lloret, Francesc; Julve, Miguel; Andruh, Marius","An original 3D coordination polymer constructed from trinuclear nodes and tetracarboxylato spacers","CrystEngComm","2021","23","6","1332","1335","10.1039/D0CE01667E","","","0.7","synchrotron","","0.0753","0.0673","","","0.1939","0.2087","","","","","","1.03","","","","has coordinates,has disorder","262583","2021-03-05","01:48:10",""
"7241824","5.3224","0.00025","12.94547","0.00019","4.53602","0.00017","90","","94.289","0.0021","90","","311.661","0.019","293","","293","","100000","5000","100000","5000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02807","","0.1101","","0.815","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241825","5.2379","0.0004","12.75457","0.00017","4.49625","0.00022","90","","94.413","0.003","90","","299.49","0.03","293","","293","","960000","50000","960000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02508","","0.10166","","0.718","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241826","5.1081","0.0005","12.49492","0.00017","4.4239","0.0003","90","","94.591","0.005","90","","281.45","0.03","293","","293","","3100000","500000","3100000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02896","","0.40688","","0.826","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241827","5.1421","0.0005","12.56168","0.00022","4.4451","0.0003","90","","94.552","0.005","90","","286.22","0.03","293","","293","","2420000","50000","2420000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03401","","0.76173","","0.975","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241828","5.0748","0.0006","12.42717","0.00021","4.4031","0.0004","90","","94.604","0.006","90","","276.79","0.04","293","","293","","3740000","60000","3740000","60000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04184","","0.1435","","1.217","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241829","4.9826","0.0008","12.26098","0.00024","4.3436","0.0005","90","","94.581","0.008","90","","264.51","0.05","293","","293","","5930000","50000","5930000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.04","","0.2754","","1.174","","","","","","","has coordinates","288267","2023-12-12","21:40:12",""
"7241830","5.0087","0.0006","12.31139","0.0002","4.3629","0.0004","90","","94.593","0.006","90","","268.17","0.04","293","","293","","5170000","50000","5170000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03274","","0.26562","","0.969","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241831","4.6166","0.0004","11.5551","0.0005","4.0512","0.00028","90","","94.807","0.003","90","","215.35","0.03","293","","293","","25270000","50000","25270000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01588","","0.04166","","0.477","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241832","4.8892","0.0005","12.10248","0.0002","4.2841","0.0003","90","","94.569","0.004","90","","252.69","0.03","293","","293","","8730000","50000","8730000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02792","","0.18398","","0.811","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241833","4.8627","0.0005","12.05705","0.00019","4.2663","0.0003","90","","94.603","0.004","90","","249.33","0.03","293","","293","","9810000","50000","9810000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0256","","0.27269","","0.742","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241834","4.7015","0.0004","11.7503","0.0004","4.1387","0.0003","90","","94.764","0.004","90","","227.85","0.03","293","","293","","18570000","50000","18570000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00826","","0.05433","","0.243","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241835","4.8883","0.0003","12.1119","0.0005","4.28963","0.00021","90","","94.6135","0.0025","90","","253.15","0.02","293","","293","","8630000","50000","8630000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01136","","0.04497","","0.325","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241836","5.1811","0.0004","12.63631","0.00018","4.46609","0.00028","90","","94.516","0.004","90","","291.49","0.03","293","","293","","1750000","50000","1750000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02743","","0.26726","","0.782","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241837","4.5713","0.0005","11.4696","0.0007","4.007","0.0003","90","","94.792","0.004","90","","209.36","0.03","293","","293","","29910000","50000","29910000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00979","","0.03785","","0.278","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241838","5.07859","0.00027","12.4595","0.0004","4.41318","0.0002","90","","94.5756","0.0023","90","","278.36","0.02","293","","293","","3550000","50000","3550000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00982","","0.05251","","0.279","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241839","4.6442","0.0003","11.6134","0.0004","4.07822","0.00022","90","","94.7902","0.0027","90","","219.19","0.02","293","","293","","22760000","50000","22760000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0136","","0.03647","","0.39","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241840","4.7371","0.0003","11.82822","0.0003","4.16968","0.00024","90","","94.711","0.003","90","","232.84","0.02","293","","293","","16090000","50000","16090000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00989","","0.05286","","0.292","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241841","4.6069","0.0004","11.5455","0.0007","4.04391","0.00032","90","","94.803","0.003","90","","214.34","0.03","293","","293","","25780000","50000","25780000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00865","","0.0421","","0.247","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241842","4.7786","0.0007","11.9057","0.0005","4.1994","0.0006","90","","94.695","0.006","90","","238.11","0.05","293","","293","","14060000","110000","14060000","110000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02549","","0.05581","","0.736","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241843","5.09945","0.00022","12.4945","0.0003","4.42425","0.00017","90","","94.5655","0.0019","90","","280.997","0.018","293","","293","","3160000","50000","3160000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.00768","","0.05282","","0.216","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241844","4.8132","0.0004","11.9681","0.0006","4.23271","0.00023","90","","94.6883","0.0026","90","","243.01","0.03","293","","293","","11840000","190000","11840000","190000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01284","","0.04996","","0.364","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241845","5.269","0.0004","12.82716","0.00016","4.51254","0.0003","90","","94.364","0.004","90","","304.1","0.03","293","","293","","540000","50000","540000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.0102","","0.09325","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241846","4.9201","0.0005","12.15166","0.00023","4.3032","0.0004","90","","94.543","0.005","90","","256.47","0.04","293","","293","","7850000","50000","7850000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.03174","","0.15244","","0.92","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241847","4.5965","0.0006","11.5222","0.0007","4.0319","0.0004","90","","94.769","0.004","90","","212.8","0.04","293","","293","","27460000","50000","27460000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01753","","0.04852","","0.504","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241848","4.7416","0.0004","11.8243","0.0007","4.17264","0.00027","90","","94.7608","0.0029","90","","233.14","0.03","293","","293","","15600000","500000","15600000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01247","","0.04872","","0.354","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241849","4.5726","0.0006","11.4835","0.0009","4.0105","0.0004","90","","94.821","0.004","90","","209.84","0.04","293","","293","","29800000","500000","29800000","500000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01074","","0.04561","","0.31","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241850","4.8178","0.0006","11.97404","0.00028","4.2306","0.0005","90","","94.607","0.006","90","","243.27","0.04","293","","293","","11890000","50000","11890000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.02802","","0.06204","","0.812","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241851","4.6657","0.0004","11.67","0.0006","4.1027","0.00028","90","","94.7684","0.003","90","","222.61","0.03","293","","293","","20640000","50000","20640000","50000","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","arsenic(III) oxide","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","powder diffraction","x-ray","0.41421","","","","","","","0.01064","","0.0377","","0.299","","","","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241852","5.29402","0.00016","12.885","0.0004","4.50656","0.00013","90","","94.329","0.003","90","","306.531","0.016","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0378","0.0309","","","0.0738","0.0776","","","","","","1.043","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241853","5.27066","0.00019","12.7806","0.0005","4.48685","0.00019","90","","94.579","0.004","90","","301.28","0.02","100","1","100","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0353","0.0311","","","0.0774","0.0803","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241854","5.26373","0.00014","12.7447","0.0003","4.47691","0.00011","90","","94.687","0.003","90","","299.328","0.013","35","1","35","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0364","0.0343","","","0.0928","0.0948","","","","","","1.072","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241855","5.29025","0.00013","12.8566","0.0003","4.502","0.00012","90","","94.44","0.003","90","","305.283","0.013","230","1","230","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0347","0.0294","","","0.0691","0.0723","","","","","","1.045","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241856","5.28841","0.00013","12.8335","0.0003","4.50014","0.00013","90","","94.541","0.003","90","","304.46","0.014","150","1","150","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0377","0.0314","","","0.0779","0.0821","","","","","","1.063","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241857","5.26753","0.00012","12.7667","0.0002","4.48007","0.0001","90","","94.738","0.002","90","","300.251","0.011","50","1","50","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0291","0.0271","","","0.0743","0.0761","","","","","","1.131","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241858","5.29393","0.00013","12.8775","0.0004","4.50545","0.00012","90","","94.381","0.003","90","","306.251","0.015","270","1","270","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0348","0.0294","","","0.0699","0.0729","","","","","","1.06","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241859","5.27158","0.00013","12.7597","0.0003","4.48224","0.00011","90","","94.731","0.003","90","","300.465","0.013","20","1","20","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0427","0.041","","","0.1104","0.1133","","","","","","1.08","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241860","5.2915","0.00015","12.8527","0.0004","4.50173","0.00014","90","","94.533","0.003","90","","305.205","0.016","190","1","190","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0361","0.0296","","","0.072","0.076","","","","","","1.037","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241861","5.28379","0.00013","12.8173","0.0003","4.49485","0.00012","90","","94.618","0.002","90","","303.421","0.013","120","1","120","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0365","0.0308","","","0.0734","0.0765","","","","","","1.087","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241862","5.2635","0.0002","12.732","0.0004","4.46891","0.00016","90","","94.675","0.004","90","","298.487","0.018","10","1","10","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","claudetite I","","","- As2 O3 -","- As2 O3 -","- As8 O12 -","4","1","","Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng; Zachara, Janusz","High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3 polymorph","CrystEngComm","2021","23","3","638","644","10.1039/D0CE01401J","","x-ray","0.41328","synchrotron","","0.0384","0.0344","","","0.103","0.1066","","","","","","1.101","","","","has coordinates","261628","2021-02-04","23:04:35",""
"7241863","12.0689","0.0003","11.6727","0.0003","21.7296","0.0006","90","","94.542","0.001","90","","3051.58","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Eu(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Eu2 N16 O12 -","- C54 H38 Cl4 Eu2 N16 O12 -","- C108 H76 Cl8 Eu4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0453","0.0346","","","0.0829","0.0922","","","","","","1.007","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241864","12.0381","0.0004","11.6511","0.0003","21.7206","0.0007","90","","94.5441","0.001","90","","3036.89","0.16","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Gd(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Gd2 N16 O12 -","- C54 H38 Cl4 Gd2 N16 O12 -","- C108 H76 Cl8 Gd4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0445","0.0362","","","0.0915","0.0992","","","","","","1.203","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241865","12.0165","0.0011","11.6234","0.0011","24.035","0.002","90","","115.388","0.005","90","","3032.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Dy(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 Dy2 N16 O12 -","- C54 H38 Cl4 Dy2 N16 O12 -","- C108 H76 Cl8 Dy4 N32 O24 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0427","0.0365","","","0.1069","0.115","","","","","","0.995","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241866","12.0288","0.0004","11.6329","0.0003","21.7452","0.0006","90","","94.488","0.001","90","","3033.47","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2","'[Tb(C12N2H8)4(C3N4H3O2)2(Cl)2](ClO4)2'","","- C54 H38 Cl4 N16 O12 Tb2 -","- C54 H38 Cl4 N16 O12 Tb2 -","- C108 H76 Cl8 N32 O24 Tb4 -","2","0.5","","Dong, Lu; Lu, Ying-Bing; Zhu, Shui-Dong; Wu, Jun-Wei; Zhang, Xin-Ting; Liao, Yi; Liu, Cai-Ming; Liu, Sui-Jun; Xie, Yong-Rong; Zhang, Shi-Yong","A new family of dinuclear lanthanide complexes exhibiting luminescence, magnetic entropy changes and single molecule magnet behaviors","CrystEngComm","2021","23","3","645","652","10.1039/D0CE01477J","","","0.71073","MoKα","","0.0413","0.0324","","","0.0789","0.0849","","","","","","1.011","","","","has coordinates","261632","2021-02-04","23:05:03",""
"7241867","9.9227","0.0005","12.457","0.0006","16.0614","0.0008","80.584","0.001","74.32","0.001","67.518","0.001","1762.1","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H18 Br2 N2 O10 Ru3 -","- C34 H18 Br2 N2 O10 Ru3 -","- C68 H36 Br4 N4 O20 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0473","0.0381","","","0.104","0.1211","","","","","","1.023","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241868","11.4233","0.0011","12.1695","0.0012","15.1533","0.0014","70.483","0.001","87.865","0.002","78.592","0.001","1945.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O12 Ru3 -","- C36 H24 N2 O12 Ru3 -","- C72 H48 N4 O24 Ru6 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0531","0.04","","","0.1","0.11","","","","","","1.046","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241869","11.695","0.0009","16.4637","0.0014","19.9029","0.0016","90","","103.851","0.003","90","","3720.7","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 Br4 N2 O10 Ru3 -","- C32 H16 Br4 N2 O10 Ru3 -","- C128 H64 Br16 N8 O40 Ru12 -","4","0.5","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0592","0.0354","","","0.0731","0.0797","","","","","","1.044","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7241870","12.8182","0.0002","8.2926","0.0002","11.3803","0.0002","90","","90","","90","","1209.68","0.04","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.38 Se0.62 U -","- H10 Ni O15 S1.379 Se0.621 U -","- H40 Ni4 O60 S5.516 Se2.484 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0208","0.018","","","0.0414","0.0437","","","","","","1.057","","","","has coordinates,has disorder","262567","2021-03-05","01:45:11",""
"7241871","8.3598","0.0001","11.4808","0.0002","12.9631","0.0001","90","","92.894","0.001","90","","1242.58","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.77 Se1.23 U -","- H10 Ni O15 S0.775 Se1.225 U -","- H40 Ni4 O60 S3.1 Se4.9 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0172","","","0.0413","0.0416","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241872","8.3534","0.0003","11.4839","0.0003","12.9409","0.0004","90","","92.931","0.003","90","","1239.79","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.61 Se1.39 U -","- H10 Ni O15 S0.611 Se1.389 U -","- H40 Ni4 O60 S2.444 Se5.556 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0179","0.0167","","","0.0409","0.0414","","","","","","1.124","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241873","8.3752","0.0002","11.533","0.0003","13.0328","0.0003","90","","93.103","0.002","90","","1257.01","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.43 Se1.57 U -","- H10 Ni O15 S0.43 Se1.57 U -","- H40 Ni4 O60 S1.72 Se6.28 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0389","0.0256","","","0.0477","0.051","","","","","","1.041","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241874","12.7506","0.0001","8.3095","0.0001","11.2929","0.0001","90","","90","","90","","1196.5","0.02","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S2 U -","- H10 Ni O15 S2 U -","- H40 Ni4 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0282","0.0277","","","0.0752","0.0758","","","","","","1.128","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241875","12.8291","0.0009","8.2825","0.0005","11.3826","0.0006","90","","90","","90","","1209.48","0.13","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.2 Se0.8 U -","- H10 Ni O15 S1.198 Se0.802 U -","- H40 Ni4 O60 S4.792 Se3.208 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0443","0.0303","","","0.0609","0.0663","","","","","","1.043","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241876","8.3202","0.0004","11.4227","0.0004","12.882","0.0006","90","","92.718","0.004","90","","1222.92","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.96 Se1.04 U -","- H10 Ni O15 S0.958 Se1.042 U -","- H40 Ni4 O60 S3.832 Se4.168 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0567","0.0388","","","0.0663","0.071","","","","","","1.068","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241877","6.5114","0.0001","11.3829","0.0002","8.3439","0.0002","90","","90.773","0.002","90","","618.38","0.02","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- H10 Mn O15 S2 U -","- H10 Mn O15 S2 U -","- H20 Mn2 O30 S4 U2 -","2","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0171","0.0163","","","0.0398","0.0401","","","","","","1.038","","","","has coordinates","262567","2021-03-05","01:45:12",""
"7241878","8.3902","0.0001","11.5601","0.0002","13.0744","0.0002","90","","93.309","0.001","90","","1265.99","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 S0.22 Se1.78 U -","- H10 Ni O15 S0.216 Se1.784 U -","- H40 Ni4 O60 S0.864 Se7.136 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0147","0.014","","","0.0336","0.0338","","","","","","1.138","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241879","12.7808","0.0003","8.2806","0.0002","11.3074","0.0003","90","","90","","90","","1196.69","0.05","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.85 Se0.15 U -","- H10 Ni O15 S1.852 Se0.148 U -","- H40 Ni4 O60 S7.408 Se0.592 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0263","0.024","","","0.0631","0.0645","","","","","","1.044","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241880","8.3912","0.0002","11.5652","0.0003","13.1209","0.0003","90","","93.533","0.002","90","","1270.91","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H10 Ni O15 Se2 U -","- H10 Ni O15 Se2 U -","- H40 Ni4 O60 Se8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0204","0.0166","","","0.0396","0.0412","","","","","","1.031","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241881","12.916","0.0003","8.296","0.0002","11.2937","0.0003","90","","90","","90","","1210.13","0.05","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- Co H10 O15 S2 U -","- Co H10 O15 S2 U -","- Co4 H40 O60 S8 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0269","0.0212","","","0.0457","0.0479","","","","","","1.045","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241882","12.783","0.0004","8.2863","0.0003","11.3033","0.0005","90","","90","","90","","1197.29","0.08","100","2","100","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- H10 Ni O15 S1.64 Se0.35 U -","- H10 Ni O15 S1.644 Se0.356 U -","- H40 Ni4 O60 S6.576 Se1.424 U4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0165","0.0159","","","0.0419","0.0422","","","","","","1.119","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241883","12.8695","0.0003","8.28206","0.00015","11.292","0.0002","90","","90","","90","","1203.57","0.04","296","2","296","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- H10 O15 S2 U Zn -","- H10 O15 S2 U Zn -","- H40 O60 S8 U4 Zn4 -","4","1","","Kornyakov, Ilya V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G.; Gurzhiy, Vladislav V.","Crystal chemistry of the M2+[(UO2)(T6+O4)2(H2O)](H2O)4 (M2+ = Mg, Mn, Fe, Co, Ni and Zn; T6+ = S, Se) compounds: the interplay between chemical composition, pH and structural architecture","CrystEngComm","2021","23","5","1140","1148","10.1039/D0CE01587C","","x-ray","0.71073","MoKα","","0.0229","0.0205","","","0.0483","0.0498","","","","","","1.028","","","","has coordinates,has disorder","262567","2021-03-05","01:45:12",""
"7241884","7.7399","0.0002","13.3332","0.0003","10.8147","0.0002","90","","95.823","0.002","90","","1110.29","0.04","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 I N2 O S -","- C10 H7 I N2 O S -","- C40 H28 I4 N8 O4 S4 -","4","1","","Lu, Fangling; Zhang, Kan; Yao, Yanxiu; Yin, Ying; Chen, Jiafu; Zhang, Xinwei; Wang, Yin; Lu, Lijun; Gao, Ziwei; Lei, Aiwen","Electrochemical oxidative thiocyanation and amination of enaminones towards the synthesis of multi-substituted alkenes","Green Chemistry","2021","23","2","763","766","10.1039/D0GC03590D","","","1.54178","CuKα","","0.0639","0.0623","","","0.1647","0.1679","","","","","","1.043","","","","has coordinates","261714","2021-02-04","23:23:14",""
"7241885","10.7742","0.0005","7.035","0.0003","12.0329","0.0006","90","","101.619","0.0017","90","","893.36","0.07","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 O5 -","- C9 H12 O5 -","- C36 H48 O20 -","4","1","","Kirchhecker, Sarah; Dell'Acqua, Andrea; Angenvoort, Astrid; Spannenberg, Anke; Ito, Kenji; Tin, Sergey; Taden, Andreas; de Vries, Johannes G.","HMF‒glycerol acetals as additives for the debonding of polyurethane adhesives","Green Chemistry","2021","23","2","957","965","10.1039/D0GC04093B","","","0.71073","MoKα","","0.0355","0.0331","","","0.0888","0.092","","","","","","1.048","","","","has coordinates","261717","2021-02-04","23:23:30",""
"7241886","7.7476","0.0007","18.5104","0.0019","23.642","0.002","72.297","0.003","85.352","0.003","85.778","0.003","3215.1","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 F5 O5 S4 -","- C20 H11 F5 O5 S4 -","- C120 H66 F30 O30 S24 -","6","3","","Cai, Song-Zhou; Ge, Danhua; Sun, Li-Wen; Rao, Weidong; Wang, Xin; Shen, Zhi-Liang; Chu, Xue-Qiang","Three-component heteroannulation for tetrasubstituted furan construction enabled by successive defluorination and dual sulfonylation relay","Green Chemistry","2021","23","2","935","941","10.1039/D0GC03922E","","","0.71073","MoKα","","0.1628","0.0603","","","0.0998","0.1238","","","","","","1.003","","","","has coordinates,has disorder","261716","2021-02-04","23:23:25",""
"7241887","9.8524","0.0001","12.043","0.0001","12.4397","0.0001","90","","112.982","0.001","90","","1358.85","0.02","294.15","","294.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 F2 N2 O -","- C15 H16 F2 N2 O -","- C60 H64 F8 N8 O4 -","4","1","","Niu, Kaikai; Hao, Yanke; Song, Lingyun; Liu, Yuxiu; Wang, Qingmin","Electro-oxidative C‒H alkylation of quinoxalin-2(1H)-ones with organoboron compounds","Green Chemistry","2021","23","1","302","306","10.1039/D0GC03892J","","x-ray","1.54184","CuKα","","0.0403","0.0379","","","0.1144","0.1169","","","","","","1.092","","","","has coordinates","261713","2021-02-04","23:23:10",""
"7241902","8.386","0.002","14.787","0.004","14.458","0.003","90","","96.9","0.1","90","","1779.9","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentacyanonitrosilferrates (II)","iron methylimidazole pentacyanonitrosilferrates (II)","","- C13 Fe2 N10 O -","- C13 Fe2 N10 O -","- C52 Fe8 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","powder diffraction","","1.54056","CuKα","","","","","","","","","12.7212","","","","","","","","has coordinates","262575","2021-03-05","01:46:35",""
"7241903","9.167","0.0005","10.2296","0.0005","15.6179","0.0008","73.752","0.004","80.35","0.004","84.476","0.004","1384.29","0.13","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","catena-[bis(u-cyano)-cyano-tetrakis(1-methylimidazole)-nitrosyl-iron-copper]","","- C21 H24 Cu Fe N14 O -","- C21 H24 Cu Fe N14 O -","- C42 H48 Cu2 Fe2 N28 O2 -","2","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.0611","0.0397","","","0.0828","0.0938","","","","","","1.01","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241904","14.8493","0.0011","14.498","0.001","16.5461","0.0012","90","","90","","90","","3562.1","0.4","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-zinc]","","- C13 H12 Fe N10 O Zn -","- C13 H12 Fe N10 O Zn -","- C104 H96 Fe8 N80 O8 Zn8 -","8","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.122","0.0492","","","0.0928","0.1048","","","","","","0.762","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241905","8.4311","0.001","14.9364","0.0015","14.6337","0.0016","90","","97.228","0.011","90","","1828.2","0.4","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-manganese]","","- C13 H12 Fe Mn N10 O -","- C13 H12 Fe Mn N10 O -","- C52 H48 Fe4 Mn4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.1037","0.046","","","0.094","0.1042","","","","","","0.813","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241906","8.4002","0.0003","15.2133","0.0005","14.896","0.0005","90","","98.048","0.003","90","","1884.88","0.11","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-[tetrakis(u-cyano)-cyano-bis(1-methylimidazole)-nitrosyl-iron-cadmium]","","- C13 H12 Cd Fe N10 O -","- C13 H12 Cd Fe N10 O -","- C52 H48 Cd4 Fe4 N40 O4 -","4","1","","Pérez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; Cano, A.; González, M.; Rodríguez-Hernández, J.; Ben Altabef, A.; Frontera, Antonio; Gil, Diego M.","A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations","CrystEngComm","2021","23","5","1158","1171","10.1039/D0CE01596B","","x-ray","0.71073","MoKα","","0.067","0.0387","","","0.0818","0.0974","","","","","","1.033","","","","has coordinates","262575","2021-03-05","01:46:36",""
"7241907","5.2628","0.0002","25.4439","0.0014","5.2264","0.0003","90","","96.777","0.002","90","","694.96","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0393","0.0333","","","0.0803","0.0839","","","","","","1.32","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241908","5.2978","0.0002","25.4806","0.0015","5.2759","0.0003","90","","97.132","0.002","90","","706.69","0.06","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_monohydrate","","","- C5 H12 Cl N O -","- C5 H12 Cl N O -","- C20 H48 Cl4 N4 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0416","0.0334","","","0.0796","0.0837","","","","","","1.21","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241909","5.3056","0.0004","23.544","0.002","11.1942","0.001","90","","99.188","0.002","90","","1380.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C12 H28 N2 O -","- C12 H28 N2 O -","- C48 H112 N8 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0626","0.0525","","","0.1184","0.124","","","","","","1.116","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241910","12.4835","0.0014","6.2084","0.0005","12.2415","0.0013","90","","95.025","0.004","90","","945.1","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0737","0.0481","","","0.1113","0.1227","","","","","","1.109","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241911","12.5492","0.0019","6.2375","0.0007","12.3157","0.0018","90","","94.551","0.005","90","","961","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chloropiperidine_trihydrate","","","- C5 H16 Cl N O3 -","- C5 H16 Cl N O3 -","- C20 H64 Cl4 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.1132","0.0554","","","0.1062","0.1281","","","","","","1.065","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241912","5.3447","0.0004","23.72","0.002","11.2047","0.0009","90","","99.241","0.002","90","","1402.05","0.19","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_hemihydrate","","","- C12 H28 N2 O -","- C12 H28 N2 O -","- C48 H112 N8 O4 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0646","0.0532","","","0.1318","0.1402","","","","","","1.069","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241913","13.176","0.003","6.3382","0.0011","11.846","0.002","90","","103.596","0.007","90","","961.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0422","0.0375","","","0.1034","0.1083","","","","","","1.137","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241914","13.2473","0.001","6.3988","0.0004","11.8886","0.0009","90","","103.251","0.002","90","","980.93","0.12","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Methylpiperidine_trihydrate","","","- C6 H19 N O3 -","- C6 H19 N O3 -","- C24 H76 N4 O12 -","4","1","","Socha, Paweł; Prus, Bernadeta; Dobrzycki, Łukasz; Boese, Roland; Cyrański, Michał K.","Intermolecular interactions in hydrates of 4-methylpiperidine and 4-chloropiperidine ‒ a structural and computational study","CrystEngComm","2021","23","5","1251","1262","10.1039/D0CE01585G","","","0.71073","MoKα","","0.0478","0.0392","","","0.1023","0.1113","","","","","","1.068","","","","has coordinates","262574","2021-03-05","01:46:27",""
"7241915","7.689","0.001","19.055","0.003","16.139","0.002","90","","92.027","0.004","90","","2363.1","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O9 S Zn -","- C22 H13 N3 O6 S Zn -","- C88 H52 N12 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Mu, Yun-Jing; Zhao, Bang-Tun","Viologen-derived material showing photochromic, visually oxygen responsive, and photomodulated luminescence behaviors","CrystEngComm","2021","23","4","1019","1024","10.1039/D0CE01630F","","","0.71073","MoKα","","0.0561","0.0388","","","0.0873","0.0956","","","","","","1.034","","","","has coordinates,has disorder","261603","2021-02-04","22:58:46",""
"7241916","9.126","0.002","8.627","0.002","28.397","0.002","90","","90","","90","","2235.7","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H20 I4 N2 Pb -","- C14 H20 I4 N2 Pb -","- C56 H80 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.63","synchrotron","","0.0292","0.0244","","","0.0626","0.0735","","","","","","1.287","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241917","9.3165","0.0011","27.144","0.003","12.8713","0.0014","90","","90.699","0.005","90","","3254.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H12 I4 N6 Pb -","- C2 H12 I4 N6 Pb -","- C16 H96 I32 N48 Pb8 -","8","2","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0594","0.0473","","","0.1443","0.1556","","","","","","1.107","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241918","45.458","0.004","8.9432","0.0008","8.8219","0.0007","90","","98.251","0.006","90","","3549.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H0 I7 N4 Pb2 -","- C6 I7 N4 Pb2 -","- C24 I28 N16 Pb8 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.156","0.0983","","","0.294","0.3364","","","","","","1.075","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241919","32.5719","0.0016","6.1388","0.0003","6.1894","0.0003","90","","93.635","0.0019","90","","1235.1","0.1","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 I4 N2 Pb -","- C18 I4 N2 Pb -","- C36 I8 N4 Pb2 -","2","0.25","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","MoKα","","0.0285","0.0283","","","0.0802","0.0804","","","","","","1.106","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241920","8.857","0.0018","8.675","0.0017","27.435","0.006","90","","90","","90","","2108","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H24 I4 N2 Pb -","- C8 H24 I4 N2 Pb -","- C32 H96 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.7","synchrotron","","0.0811","0.0626","","","0.1602","0.177","","","","","","1.082","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241921","8.152","0.0016","8.747","0.0018","15.148","0.003","90","","90","","90","","1080.1","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H8 I3 N Pb -","- C2 H8 I3 N Pb -","- C8 H32 I12 N4 Pb4 -","4","0.5","","Jung, Mi-Hee","Exploration of two-dimensional perovskites incorporating methylammonium for high performance solar cells","CrystEngComm","2021","23","5","1181","1200","10.1039/D0CE01469A","","","0.71073","synchrotron","","0.0639","0.0617","","","0.2007","0.2039","","","","","","1.138","","","","has coordinates","262573","2021-03-05","01:46:16",""
"7241922","9.6059","0.0001","15.3508","0.0001","19.727","0.0002","105.947","0.001","93.028","0.001","108.138","0.001","2627.33","0.05","160","0.1","160","0.1","","","","","","","","6","P 1","P 1","1","","","","- C31 H57 Cl N2 O7 S -","- C31 H57 Cl N2 O7 S -","- C93 H171 Cl3 N6 O21 S3 -","3","3","","Li, Shuyu; Wang, Ting; Huang, Xin; Zhou, Lina; Chen, Mingyu; Liu, Wanying; Zhang, Xiunan; Dong, Yuyuan; Hao, Hongxun","The role of water in the formation of crystal structures: a case study of valnemulin hydrochloride","CrystEngComm","2021","23","1","47","55","10.1039/D0CE01459A","","","1.54184","CuKα","","0.0807","0.0745","","","0.2107","0.2253","","","","","","1.039","","","","has coordinates,has disorder","261596","2021-02-04","22:57:12",""
"7241923","18.41","0.009","30.209","0.014","12.589","0.006","90","","90","","90","","7001","6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H47 Cu N4 O11 S2 -","- C248 H188 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0822","0.0538","","","0.1503","0.1702","","","","","","1.03","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241924","11.4789","0.0003","14.7923","0.0005","15.0691","0.0005","115.911","0.001","110.477","0.001","95.342","0.001","2062.18","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H26 Co N2 O8 S2 -","- C36 H26 Co N2 O8 S2 -","- C72 H52 Co2 N4 O16 S4 -","2","1","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.0725","0.0469","","","0.1362","0.1497","","","","","","1.072","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241925","10.9393","0.0003","13.6939","0.0004","15.4106","0.0005","64.935","0.002","85.116","0.002","85.63","0.002","2081.48","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","- C88 H66 Co N6 O12 S2 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.068","0.0454","","","0.1288","0.1424","","","","","","1.057","","","","has coordinates","261635","2021-02-04","23:05:31",""
"7241926","14.095","0.002","15.145","0.002","19.285","0.003","91.022","0.008","102.243","0.007","97.748","0.008","3981.8","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","- C166 H154 Co2 N14 O29 S4 -","1","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.1001","0.0558","","","0.152","0.1773","","","","","","1.048","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241927","12.4189","0.0004","20.0829","0.0006","28.0298","0.0008","90","","90","","90","","6990.8","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C62 H48 Cu N4 O11 S2 -","- C62 H48 Cu N4 O11 S2 -","- C248 H192 Cu4 N16 O44 S8 -","4","0.5","","Mohanty, Aurobinda; Singh, Udai P.; Ghorai, Arijit; Banerjee, Susanta; Butcher, R. J.","Metal‒organic frameworks derived from a semi-rigid anthracene-based ligand and sulfonates: proton conductivity and dye degradation studies","CrystEngComm","2021","23","3","684","693","10.1039/D0CE01275K","","","0.71073","MoKα","","0.103","0.0621","","","0.1721","0.1943","","","","","","1.033","","","","has coordinates,has disorder","261635","2021-02-04","23:05:31",""
"7241930","10.624","0.0012","23.227","0.003","17.226","0.002","90","","97.34","0.003","90","","4215.9","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","DPrCuCl in manuscript","","","- C41 H49 Cl6 Cu N2 -","- C41 H49 Cl6 Cu N2 -","- C164 H196 Cl24 Cu4 N8 -","4","1","","Cervantes-Reyes, Alejandro; Farshadfar, Kaveh; Rudolph, Matthias; Rominger, Frank; Schaub, Thomas; Ariafard, Alireza; Hashmi, A. Stephen K.","Copper-catalysed synthesis of α-alkylidene cyclic carbonates from propargylic alcohols and CO2","Green Chemistry","2021","23","2","889","897","10.1039/D0GC03990J","","","0.71073","MoKα","","0.1245","0.0755","","","0.1998","0.232","","","","","","1.029","","","","has coordinates","261715","2021-02-04","23:23:20",""
"7241931","33.614","0.006","6.0727","0.001","14.459","0.003","90","","93.236","0.003","90","","2946.8","0.9","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","A8 in manuscript","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","1","","Cervantes-Reyes, Alejandro; Farshadfar, Kaveh; Rudolph, Matthias; Rominger, Frank; Schaub, Thomas; Ariafard, Alireza; Hashmi, A. Stephen K.","Copper-catalysed synthesis of α-alkylidene cyclic carbonates from propargylic alcohols and CO2","Green Chemistry","2021","23","2","889","897","10.1039/D0GC03990J","","","0.71073","MoKα","","0.1147","0.0593","","","0.1334","0.1601","","","","","","1.04","","","","has coordinates","261715","2021-02-04","23:23:20",""
"7241932","11.616","0.0004","20.6335","0.0007","23.3007","0.0007","90","","90","","90","","5584.7","0.3","149.99","","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H21 F9 N2 O4 -","- C29 H21 F9 N2 O4 -","- C232 H168 F72 N16 O32 -","8","1","","Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua","Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives","RSC Advances","2021","11","1","15","22","10.1039/D0RA09209F","","","1.54178","CuKα","","0.0842","0.0743","","","0.1974","0.2085","","","","","","1.049","","","","has coordinates","260111","2020-12-23","05:26:26",""
"7241933","14.2291","0.0017","11.4539","0.0014","17.931","0.002","90","","105.852","0.002","90","","2811.2","0.6","187.49","","187.49","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 F9 N2 O4 -","- C29 H21 F9 N2 O4 -","- C116 H84 F36 N8 O16 -","4","1","","Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua","Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives","RSC Advances","2021","11","1","15","22","10.1039/D0RA09209F","","","0.71073","MoKα","","0.0731","0.04","","","0.0945","0.112","","","","","","1.003","","","","has coordinates,has disorder","260111","2020-12-23","05:26:27",""
"7241945","13.98878","0.00006","23.20468","0.00008","26.86614","0.00009","103.05","0.0003","91.7765","0.0003","93.9686","0.0003","8465.51","0.06","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C160 H117.4 Cd10 N25 O49.2 -","- C160 H117.4 Cd10 N25 O49.2 -","- C320 H234.8 Cd20 N50 O98.4 -","2","1","","Fan, Liming; Zhao, Dongsheng; Li, Bei; Chen, Xi; Wang, Feng; Deng, Yuxin; Niu, Yulan; Zhang, Xiutang","An exceptionally stable luminescent cadmium(ii) metal‒organic framework as a dual-functional chemosensor for detecting Cr(vi) anions and nitro-containing antibiotics in aqueous media","CrystEngComm","2021","23","5","1218","1225","10.1039/D0CE01721C","","x-ray","1.54184","CuKα","","0.0518","0.0498","","","0.1347","0.1365","","","","","","1.053","","","","has coordinates,has disorder","262566","2021-03-05","01:44:58",""
"7241946","14.0232","0.0019","14.0232","0.0019","25.446","0.007","90","","90","","120","","4333.6","1.5","298","2","298.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C54 H38 N4 O14 Zn3 -","- C54 H38 N4 O14 Zn3 -","- C162 H114 N12 O42 Zn9 -","3","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A water-stable zinc(ii)‒organic framework as an “on‒off‒on” fluorescent sensor for detection of Fe3+ and reduced glutathione","CrystEngComm","2021","23","5","1243","1250","10.1039/D0CE01741H","","","0.71073","MoKα","","0.1242","0.0654","","","0.1491","0.1726","","","","","","1.03","","","","has coordinates","262572","2021-03-05","01:46:06",""
"7241947","3.8385","0.0008","27.44","0.006","12.924","0.003","90","","95.52","0.03","90","","1355","0.5","293","","293","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.5159","synchrotron","","0.0933","0.0619","","0.1567","0.1244","0.1567","","","","","","0.9871","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241948","3.86184","0.00017","27.587","0.0014","13.0065","0.0005","90","","95.678","0.004","90","","1378.87","0.11","150","","150","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.0513","0.0484","","0.1232","0.121","0.1232","","","","","","0.9623","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241949","3.8299","0.0003","27.522","0.0019","13.0115","0.0016","90","","95.766","0.01","90","","1364.6","0.2","80","","80","","","","","","","","Sigma Aldrich","5","C 1 c 1","C -2yc","9","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C48 H32 Cl20 N4 O4 -","4","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","1.54184","CuKα","","0.064","0.0599","","0.1596","0.1531","0.1596","","","","","","1.0078","","","","has coordinates,has disorder","261600","2021-02-04","22:58:00",""
"7241950","7.3014","0.00003","8.7017","0.00007","13.2339","0.00007","100.09","0.011","117.346","0.007","104.142","0.008","682.7","0.09","293","","293","","0.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1378","0.1187","","0.4324","0.4062","0.4324","","","","","","1.9981","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241951","7.0456","0.00003","8.1741","0.00007","12.2122","0.00006","101.337","0.011","114.199","0.007","104.453","0.008","584.57","0.07","293","","293","","3.75","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1313","0.1167","","0.4079","0.3895","0.4079","","","","","","1.9401","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241952","7.1745","0.00003","8.4378","0.00007","12.7346","0.00007","100.591","0.012","115.749","0.007","104.468","0.008","633.45","0.09","293","","293","","1.47","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1194","0.1015","","0.2606","0.2456","0.2606","","","","","","1.008","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241953","7.394","0.00003","8.9363","0.00007","13.688","0.00006","100.541","0.011","118.408","0.007","103.46","0.008","726.65","0.1","293","","293","","0","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","4-methylpyridine pentachlorophenol","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.2496","0.2366","","0.5572","0.5524","0.5572","","","","","","1.6344","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241954","7.3922","0.00003","8.9272","0.00008","13.6524","0.00009","100.317","0.014","118.354","0.009","103.641","0.009","724.49","0.13","293","","293","","0.21","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.163","0.1389","","0.4195","0.389","0.4195","","","","","","1.714","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241955","7.029","0.00003","8.0085","0.00006","12.0805","0.00006","101.11","0.01","114.232","0.007","104.203","0.008","567.09","0.07","293","","293","","4.57","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1564","0.1352","","0.4498","0.4244","0.4498","","","","","","1.9834","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241956","7.0954","0.00003","8.2375","0.00007","12.3966","0.00006","100.861","0.011","114.958","0.007","104.5","0.008","599.22","0.08","293","","293","","2.86","","","","","","Sigma Aldrich","5","P -1","-P 1","2","","","","- C12 H8 Cl5 N O -","- C12 H8 Cl5 N O -","- C24 H16 Cl10 N2 O2 -","2","1","","Funnell, Nicholas P.; Allan, David R.; Maloney, Andrew G. P.; Smith, Ronald I.; Wilson, Cameron J. G.; Parsons, Simon","Suppression of isotopic polymorphism","CrystEngComm","2021","23","4","769","776","10.1039/D0CE01636E","","","0.6889","synchrotron","","0.1339","0.1176","","0.4086","0.3845","0.4086","","","","","","1.8296","","","","has coordinates","261600","2021-02-04","22:58:00",""
"7241957","6.7041","0.0008","11.8458","0.001","30.358","0.004","90","","90","","90","","2410.9","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.107","0.0569","","","0.1036","0.1164","","","","","","0.952","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241958","6.7095","0.0004","11.8584","0.0006","30.4373","0.0015","90","","90","","90","","2421.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1178","0.0607","","","0.1155","0.131","","","","","","0.957","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241959","9.8463","0.0008","9.3601","0.0007","18.1965","0.0012","90","","91.888","0.003","90","","1676.1","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N5 O7 -","- C16 H19 N5 O7 -","- C64 H76 N20 O28 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0694","0.043","","","0.11","0.1223","","","","","","0.931","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241960","12.1073","0.0009","6.2472","0.0005","21.321","0.0015","90","","94.374","0.004","90","","1608","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cu N12 O12 -","- C28 H34 Cu N12 O12 -","- C56 H68 Cu2 N24 O24 -","2","0.5","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1353","0.0571","","","0.1171","0.1469","","","","","","1.003","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241961","7.2922","0.0003","7.8666","0.0003","17.1901","0.0006","81.064","0.002","79.634","0.002","80.387","0.002","948.38","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N5 O8 -","- C16 H25 N5 O8 -","- C32 H50 N10 O16 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0937","0.0509","","","0.1234","0.1389","","","","","","0.945","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241962","7.592","0.0003","15.4924","0.0007","16.2129","0.0008","72.946","0.003","83.283","0.002","81.684","0.002","1798.3","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 N10 O15 -","- C30 H46 N10 O15 -","- C60 H92 N20 O30 -","2","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.0896","0.0472","","","0.1066","0.1195","","","","","","0.96","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241963","25.053","0.0012","10.4016","0.0005","8.0082","0.0003","90","","90","","90","","2086.87","0.16","293","2","298","","","","","","","","","5","P c a 21","P 2c -2ac","29","(Protonated proton sponge) triiodoplumbate, beta phase","(Protonated proton sponge) triiodoplumbate, beta phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C56 H76 I12 N8 Pb4 -","4","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","12","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241964","28.0408","0.0006","17.385","0.0003","7.88582","0.00016","90","","90","","90","","3844.25","0.13","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) tribromoplumbate","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 Br3 N2 Pb -","- C14 H19 Br3 N2 Pb -","- C112 H152 Br24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","14.2","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241965","28.8862","0.0004","18.133","0.0002","8.02619","0.0001","90","","90","","90","","4204.07","0.09","293","2","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Protonated proton sponge) triiodoplumbate, alpha phase","(Protonated proton sponge) triiodoplumbate, alpha phase","","- C14 H19 I3 N2 Pb -","- C14 H19 I3 N2 Pb -","- C112 H152 I24 N16 Pb8 -","8","1","","Pipitone, Candida; Giannici, Francesco; Martorana, Antonino; Bertolotti, Federica; Calabrese, Gabriele; Milita, Silvia; Guagliardi, Antonietta; Masciocchi, Norberto","Proton sponge lead halides containing 1D polyoctahedral chains","CrystEngComm","2021","23","5","1126","1139","10.1039/D0CE01695K","powder diffraction","","1.5418","CuKα","","","","","","","","","","9.9","","","","","","","has coordinates","262560","2021-03-05","01:44:09",""
"7241966","26.6594","0.0003","9.2333","0.0001","17.6019","0.0002","90","","93.22","0.001","90","","4325.94","0.08","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N16 O7 Rb4 W2 -","- C32 H16 N16 O7 Rb4 W2 -","- C128 H64 N64 O28 Rb16 W8 -","4","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.0592","0.0428","","","0.0907","0.0967","","","","","","1.05","","","","has coordinates,has disorder","262564","2021-03-05","01:44:41",""
"7241967","8.4996","0.0002","9.2127","0.0002","14.357","0.0003","89.638","0.002","86.389","0.002","68.804","0.002","1045.92","0.04","200","2","200","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 K2 N8 O3 W -","- C16 H8 K2 N8 O3 W -","- C32 H16 K4 N16 O6 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts","CrystEngComm","2021","23","5","1207","1217","10.1039/D0CE01674H","","x-ray","0.71073","MoKα","","0.053","0.0463","","","0.1027","0.106","","","","","","1.023","","","","has coordinates","262564","2021-03-05","01:44:41",""
"7241968","6.73165","0.00019","7.0727","0.0002","7.95197","0.00018","86.2104","0.0017","72.5954","0.0018","85.649","0.002","359.851","0.017","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","- C8 H16 N6 O6 S2 -","1","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0382","0.0357","","","0.0971","0.0996","","","","","","1.119","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241969","7.6145","0.0003","12.323","0.0005","15.6653","0.0005","90","","101.077","0.002","90","","1442.54","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 N6 O12 S2 -","- C20 H40 N6 O12 S2 -","- C40 H80 N12 O24 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0735","0.0581","","","0.1418","0.1535","","","","","","1.009","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241970","21.384","","8.2026","","9.6041","","90","","90","","90","","1684.6","","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H18 N6 O7 S2 -","- C8 H12 N6 O7 S2 -","- C32 H48 N24 O28 S8 -","4","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1168","0.0951","","","0.2893","0.3067","","","","","","1.094","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241971","7.5488","0.0002","18.0321","0.0006","11.5759","0.0004","90","","91.052","0.006","90","","1575.45","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 N9 O6 S2 -","- C26 H19 N9 O6 S2 -","- C52 H38 N18 O12 S4 -","2","1","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0693","0.0517","","","0.1494","0.154","","","","","","1.079","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241972","7.4854","0.0005","12.0766","0.0007","16.8284","0.001","90","","90.093","0.006","90","","1521.25","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 N9 O6 S2 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1338","0.1099","","","0.3154","0.3472","","","","","","1.177","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241973","5.94009","0.00017","7.47","0.0002","20.086","0.0006","90","","90.581","0.006","90","","891.22","0.04","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N8 O6 S2 -","- C12 H20 N8 O6 S2 -","- C24 H40 N16 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0575","0.0535","","","0.1555","0.1606","","","","","","1.074","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241974","10.3886","0.0002","7.34813","0.00019","17.1099","0.0003","90","","103.338","0.0013","90","","1270.88","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N8 O8 S2 -","- C18 H30 N8 O8 S2 -","- C36 H60 N16 O16 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.0414","0.0366","","","0.0996","0.1023","","","","","","1.114","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241975","7.623","0.0003","16.8745","0.0008","11.809","0.0006","90","","90.488","0.006","90","","1518.99","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N6 O6 S5 -","- C8 H16 N6 O6 S2 -","- C16 H32 N12 O12 S4 -","2","0.5","","Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki","Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption","CrystEngComm","2021","23","5","1149","1157","10.1039/D0CE01616K","","","1.54187","CuKα","","0.1118","0.095","","","0.2899","0.3084","","","","","","1.083","","","","has coordinates","262565","2021-03-05","01:44:50",""
"7241976","5.6333","0.0002","8.584","0.0004","19.6694","0.0009","90","","92.189","0.004","90","","950.44","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0783","0.0524","","","0.1245","0.1396","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:08",""
"7241977","5.7177","0.0002","8.6998","0.0004","19.404","0.0009","90","","92.21","0.004","90","","964.49","0.07","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9 H10 Br0.5 Cl0.5 N O2 -","- C36 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.0854","0.0552","","","0.1095","0.122","","","","","","1.0283","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241978","5.6612","0.0004","8.6217","0.0007","19.164","0.002","90","","91.532","0.008","90","","935.04","0.14","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1312","0.058","","","0.1325","0.1765","","","","","","1.001","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241979","5.829","0.0016","8.757","0.002","18.712","0.008","90","","91.96","0.03","90","","954.6","0.5","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1654","0.1319","","","0.3203","0.3464","","","","","","1.058","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241980","5.8421","0.0007","8.2764","0.0014","18.838","0.003","90","","92.673","0.013","90","","909.9","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Br0.25 Cl0.75 N O2 -","- C9 H10 Br0.25 Cl0.75 N O2 -","- C36 H40 Br Cl3 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1398","0.0898","","","0.2217","0.2608","","","","","","1.089","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241981","5.7913","0.0003","8.792","0.0006","19.0844","0.0018","90","","92.462","0.006","90","","970.83","0.12","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.0733","0.0439","","","0.0822","0.0918","","","","","","1.068","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241982","5.9566","0.0006","8.7112","0.0009","18.065","0.003","90","","92.015","0.012","90","","936.8","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.75 Cl0.25 N O2 -","- C9 H10 Br0.75 Cl0.25 N O2 -","- C36 H40 Br3 Cl N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1601","0.0678","","","0.1515","0.1938","","","","","","1.022","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241983","5.8044","0.0007","8.6743","0.0012","18.561","0.003","90","","91.675","0.012","90","","934.1","0.2","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br0.5 Cl0.5 N O2 -","- C9.056 H10 Br0.5 Cl0.5 N O2 -","- C36.224 H40 Br2 Cl2 N4 O8 -","4","1","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","x-ray","0.71073","MoKα","","0.1261","0.0783","","","0.1594","0.184","","","","","","1.153","","","","has coordinates,has disorder","262578","2021-03-05","01:47:14",""
"7241984","5.91","0.0004","8.612","0.001","18.0253","0.0016","90","","91.628","0.007","90","","917.06","0.15","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br Cl N2 O4 -","- C18 H20 Br Cl N2 O4 -","- C36 H40 Br2 Cl2 N4 O8 -","2","0.5","","Pandolfi, Lorenzo; Giunchi, Andrea; Salzillo, Tommaso; Brillante, Aldo; Della Valle, Raffaele G.; Venuti, Elisabetta; Grepioni, Fabrizia; D'Agostino, Simone","The impact of solid solution composition on kinetics and mechanism of [2 + 2] photodimerization of cinnamic acid derivatives","CrystEngComm","2021","23","6","1352","1359","10.1039/D0CE01718C","","","0.71073","MoKα","","0.1183","0.0692","","","0.1168","0.1339","","","","","","1.153","","","","has coordinates","262578","2021-03-05","01:47:14",""
"7241985","12.78","0.004","14.131","0.005","24.436","0.008","90","","101.067","0.01","90","","4331","2","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl4 N4 O5 Ru -","- C40 H30 Cl4 N4 O5 Ru -","- C160 H120 Cl16 N16 O20 Ru4 -","4","1","","Johansson, Mikael P.; Niederegger, Lukas; Rauhalahti, Markus; Hess, Corinna R.; Kaila, Ville R. I.","Dispersion forces drive water oxidation in molecular ruthenium catalysts","RSC Advances","2021","11","1","425","432","10.1039/D0RA09004B","","x-ray","0.71073","MoKα","","0.0981","0.0757","","","0.1662","0.1758","","","","","","1.116","","","","has coordinates","260142","2020-12-24","05:16:19",""
"7241986","8.9053","0.0005","14.6973","0.0008","27.8975","0.0014","90","","99.028","0.001","90","","3606.1","0.3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl6 N4 O4 Ru -","- C32 H22 Cl6 N4 O4 Ru -","- C128 H88 Cl24 N16 O16 Ru4 -","4","1","","Johansson, Mikael P.; Niederegger, Lukas; Rauhalahti, Markus; Hess, Corinna R.; Kaila, Ville R. I.","Dispersion forces drive water oxidation in molecular ruthenium catalysts","RSC Advances","2021","11","1","425","432","10.1039/D0RA09004B","","x-ray","0.71073","MoKα","","0.0841","0.0541","","","0.0907","0.0989","","","","","","1.056","","","","has coordinates","260142","2020-12-24","05:16:19",""
"7241987","8.923","0.002","6.9505","0.0018","16.162","0.004","90","","94.259","0.009","90","","999.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 N6 O6 -","- C3 H14 N6 O6 -","- C12 H56 N24 O24 -","4","1","","Zhang, Jiarong; Bi, Fuqiang; Zhang, Junlin; Wang, Xiaohong; Yang, Zhi; Zhang, Guofang; Wang, Bozhou","Synthetic and thermal studies of four insensitive energetic materials based on oxidation of the melamine structure","RSC Advances","2021","11","1","288","295","10.1039/D0RA09105G","","","0.71073","MoKα","","0.0313","0.0297","","","0.0796","0.081","","","","","","1.058","","","","has coordinates","260143","2020-12-24","05:16:45",""
"7241988","3.849","0.006","9.074","0.015","10.642","0.017","81.17","0.04","79.73","0.02","77.77","0.02","354.8","1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H6 Br Cu N6 -","- C3 H6 Br Cu N6 -","- C6 H12 Br2 Cu2 N12 -","2","1","","Hou, Qin; Yang, Qingfeng; Miao, Chengxia; Duan, Junling; Zhang, Yuanhong; Ai, Shiyun","Efficient removal of Pb2+ and Cd2+ using a Cu(i)‒Br coordination polymer constructed with an amino-rich ligand","CrystEngComm","2021","23","6","1489","1496","10.1039/D0CE01785J","","","0.71073","MoKα","","0.0985","0.0686","","","0.1737","0.1887","","","","","","0.985","","","","has coordinates","262579","2021-03-05","01:47:18",""
"7241989","12.4204","0.0005","21.5953","0.0007","16.3081","0.0006","90","","102.907","0.004","90","","4263.7","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 N Nd O7.5 -","- C21 H16 N Nd O7.5 -","- C168 H128 N8 Nd8 O60 -","8","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0288","0.0254","","","0.0675","0.0688","","","","","","1.075","","","","has coordinates,has disorder","262580","2021-03-05","01:47:29",""
"7241990","19.4366","0.0009","8.7643","0.0004","45.084","0.002","90","","90","","90","","7680","0.6","120","2","120.01","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C84 H64 Gd4 N4 O28 -","- C84 H64 Gd4 N4 O28 -","- C336 H256 Gd16 N16 O112 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","","0.71073","MoKα","","0.0897","0.0508","","","0.0842","0.0962","","","","","","1.005","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241991","11.9185","0.0003","21.873","0.0005","16.5342","0.0004","90","","100.476","0.002","90","","4238.51","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Eu2 N3 O15 -","- C45 H39 Eu2 N3 O15 -","- C180 H156 Eu8 N12 O60 -","4","1","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","0.71073","MoKα","","0.0353","0.022","","","0.0462","0.0499","","","","","","1.025","","","","has coordinates","262580","2021-03-05","01:47:30",""
"7241992","13.2526","0.0008","14.3785","0.0008","19.9214","0.001","70.927","0.005","74.63","0.005","75.542","0.005","3403.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","- C135 H121 La6 N9 O47 -","1","0.5","","Chatenever, Ana R. K.; Ehlke, Beatriz; Le Maguerès, Pierre; Reinheimer, Eric W.; Song, Xueling; Fei, Honghan; Oliver, Scott R. J.","Structural diversity of four lanthanide metal‒organic frameworks based on 2,6-naphthalenedicarboxylate: synthesis, structures and photoluminescent properties","CrystEngComm","2021","23","6","1388","1397","10.1039/D0CE01448F","","x-ray","1.54184","CuKα","","0.0624","0.043","","","0.103","0.1171","","","","","","1.047","","","","has coordinates,has disorder","262580","2021-03-05","01:47:30",""
"7241993","10.7683","0.0013","12.9615","0.0015","13.7053","0.0016","75.796","0.003","69.498","0.004","67.431","0.003","1640.8","0.3","150.15","","150.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Cu2 N2 O7 S -","- C26 H18 Cu2 N2 O7 S -","- C52 H36 Cu4 N4 O14 S2 -","2","1","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.0403","0.0367","","","0.104","0.1066","","","","","","1.05","","","","has coordinates","262577","2021-03-05","01:46:54",""
"7241994","27.221","0.002","15.4625","0.0013","13.364","0.0011","90","","117.265","0.001","90","","5000","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Mn3 N4 O15 S2 -","- C50 H46 Mn3 N4 O15 S2 -","- C200 H184 Mn12 N16 O60 S8 -","4","0.5","","Wang, Wen-Juan; Liu, Jiao; Yan, Yang-Tian; Yang, Xiao-Li; Zhang, Wen-Yan; Yang, Guo-Ping; Wang, Yao-Yu","Uncommon thioether-modified metal‒organic frameworks with unique selective CO2 sorption and efficient catalytic conversion","CrystEngComm","2021","23","6","1447","1454","10.1039/D0CE01784A","","","0.71073","MoKα","","0.054","0.0418","","","0.1093","0.1165","","","","","","1.042","","","","has coordinates,has disorder","262577","2021-03-05","01:46:54",""
"7241995","5.8453","0.0012","21.435","0.005","13.955","0.003","90","","95.506","0.003","90","","1740.4","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM;CYCLIC AMP SODIUM SALT; 3',5'-CYCLIC AMP NA","Adenosine 3',5'-Cyclic Monophosphate Sodium Salt Hydrate","","- C20 H38 N10 Na2 O20 P2 -","- C20 H38 N10 Na2 O20 P2 -","- C40 H76 N20 Na4 O40 P4 -","2","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0268","0.026","","","0.0657","0.0665","","","","","","1.07","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7241996","10.9535","0.0015","10.9535","0.0015","22.449","0.005","90","","90","","120","","2332.6","0.7","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C10 H15 N5 Na O8 P -","- C10 H15 N5 Na O8 P -","- C60 H90 N30 Na6 O48 P6 -","6","1","","Yang, Pengpeng; Jin, Junyang; Wen, Qingshi; Lin, Chenguang; Fu, JinQiu; Zhuang, Wei; Wu, Jinglan; Liu, Dong; Zhu, Chenjie; Ying, Hanjie","Hydrates of adenosine 3′,5′-cyclic monophosphate sodium and their transformation","CrystEngComm","2021","23","1","174","184","10.1039/D0CE01180K","","","0.71073","MoKα","","0.0825","0.0547","","","0.1413","0.1582","","","","","","1.005","","","","has coordinates","261585","2021-02-04","22:54:26",""
"7242009","14.163","0.017","10.101","0.012","10.664","0.012","90","","106.827","0.015","90","","1460","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 H2 K O18 -","- B11 H2 K O18 -","- B44 H8 K4 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0652","0.0443","","","0.0913","0.1014","","","","","","1.045","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242010","14.183","0.007","10.192","0.005","11.348","0.005","90","","106.022","0.006","90","","1576.7","1.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B11 Cs H2 O18 -","- B11 Cs H2 O18 -","- B44 Cs4 H8 O72 -","4","0.5","","Chen, Zhen; Guo, Jingyu; Han, Shujuan; Zeng, Hao; Yang, Zhihua; Pan, Shilie","AB11O16(OH)2 (A = K and Cs): interpenetrating 2D layers with large birefringence","CrystEngComm","2021","23","1","35","39","10.1039/D0CE01569E","","","0.71073","MoKα","","0.0663","0.0488","","","0.0762","0.0812","","","","","","0.932","","","","has coordinates","261595","2021-02-04","22:57:07",""
"7242011","12.8502","0.0005","25.0643","0.001","15.0803","0.0006","90","","100.722","0.001","90","","4772.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H40 Co2 N4 O15 P4 Si -","- C176 H160 Co8 N16 O60 P16 Si4 -","4","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0639","0.0453","","","0.1176","0.1294","","","","","","1.028","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242012","14.8494","0.0014","14.9534","0.0013","15.098","0.0013","67.608","0.002","88.443","0.002","64.186","0.002","2751.4","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H60 Co2 N4 O24 P4 Si -","- C44 H60 Co2 N4 O24 P4 Si -","- C88 H120 Co4 N8 O48 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0959","0.0587","","","0.1309","0.1514","","","","","","1.037","","","","has coordinates,has disorder","261610","2021-02-04","22:59:42",""
"7242013","25.3454","0.001","14.9757","0.0006","21.3503","0.0008","90","","106.49","0.001","90","","7770.5","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H29.5 Co2 N2 O14 P4 Si -","- C34 H29.5 Co2 N2 O14 P4 Si -","- C272 H236 Co16 N16 O112 P32 Si8 -","8","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0561","0.0401","","","0.1063","0.116","","","","","","1.043","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242014","13.683","0.0009","14.9714","0.001","15.0532","0.001","61.509","0.001","68.125","0.001","64.224","0.001","2386.9","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 Co2 N4 O15 P4 Si -","- C44 H42 Co2 N4 O15 P4 Si -","- C88 H84 Co4 N8 O30 P8 Si2 -","2","1","","Min, Xue; Tian, Hong-rui; Li, Ming; Tian, Di","Fabrication of new structures from a 3D cobalt phosphonate network: structural transformation and proton conductivity investigation","CrystEngComm","2021","23","4","876","883","10.1039/D0CE01508C","","","0.71073","MoKα","","0.0518","0.04","","","0.0965","0.1039","","","","","","1.039","","","","has coordinates","261610","2021-02-04","22:59:42",""
"7242018","13.9934","0.0011","14.1253","0.0011","19.0474","0.0015","76.683","0.002","68.564","0.002","85.169","0.003","3410.3","0.5","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H74 Co2 I3 K N4 O14 -","- C64 H74 Co2 I3 K N4 O14 -","- C128 H148 Co4 I6 K2 N8 O28 -","2","1","","Ghosh, Kousik; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight on the anion⋯anion interactions observed in the solid state structure of a hetero-trinuclear complex","CrystEngComm","2021","23","6","1429","1438","10.1039/D0CE01513J","","","0.71073","MoKα","","0.0627","0.0544","","","0.1766","0.1915","","","","","","1.183","","","","has coordinates","262576","2021-03-05","01:46:48",""
"7242019","6.811","0.0004","9.5833","0.0006","10.5124","0.0007","90","","105.512","0.007","90","","661.17","0.08","292.99","0.1","292.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Wang, Xiangmei; Gao, Zeliang; Wang, Chunyan; Guo, Xiaojie; Sun, Youxuan; Jia, Yu; Tao, Xutang","Design, growth, and characterization of Y2Mo4O15 crystals for Raman laser applications","RSC Advances","2021","11","2","1164","1171","10.1039/D0RA08609F","","x-ray","0.71073","MoKα","","0.0563","0.0531","","","0.128","0.1306","","","","","","1.076","","","","has coordinates","260560","2021-01-06","05:06:19",""
"7242020","28.0376","0.0006","9.2287","0.0002","10.2831","0.0002","90","","108.391","0.001","90","","2524.86","0.09","299","2","299","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H38 O9 -","- C24 H38 O9 -","- C96 H152 O36 -","4","1","","Liang, Dou-Dou; Yi, Xue-Wen; Wu, Han; Li, Zheng-Hui; Wang, Guo-Kai; Cheng, Gui-Guang; Feng, Tao","Antrodillin, an immunosuppressive sesquiterpenoid from higher fungus Antrodiella albocinnamomea","RSC Advances","2021","11","2","1124","1127","10.1039/D0RA10055B","","","1.54178","CuKα","","0.0354","0.0335","","","0.0905","0.0926","","","","","","1.047","","","","has coordinates,has disorder","260561","2021-01-06","05:06:40",""
"7242021","21.079","0.002","6.9804","0.0006","9.4823","0.0013","90","","100.721","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7 H17 Ag I2 N4 O -","- C7 H15 Ag I2 N4 O -","- C28 H60 Ag4 I8 N16 O4 -","4","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0426","0.0344","","","0.0771","0.0808","","","","","","1.059","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242022","9.7304","0.0016","7.1624","0.0008","11.7858","0.0017","90","","111.815","0.018","90","","762.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 I3 N4 -","- C7 H15 Ag2 I3 N4 -","- C14 H30 Ag4 I6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0451","0.0361","","","0.0937","0.1013","","","","","","1.035","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242023","9.6337","0.0015","6.8617","0.0007","11.3159","0.0016","90","","113.127","0.017","90","","687.91","0.18","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H15 Ag2 Br3 N4 O0 -","- C7 H16 Ag2 Br3 N4 -","- C14 H32 Ag4 Br6 N8 -","2","0.5","","Xue, Zhen-Zhen; Wang, A-Ni; Wei, Qi; Wei, Li; Han, Song-De; Pan, Jie","Template syntheses of diverse haloargentates with reversible photochromism behaviors and efficient photocatalytic properties","CrystEngComm","2021","23","7","1588","1595","10.1039/D0CE01642J","","","0.71073","MoKα","","0.0693","0.0589","","","0.2069","0.2294","","","","","","1.036","","","","has coordinates","262591","2021-03-05","01:49:21",""
"7242024","21.718","0.0013","7.8066","0.0006","24.1817","0.0017","90","","90.887","0.006","90","","4099.4","0.5","150","0.02","150","0.02","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H36 N2 Na4 O10 -","- C50 H36 N2 Na4 O10 -","- C200 H144 N8 Na16 O40 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.2167","0.1321","","","0.3476","0.3874","","","","","","1.119","","","","has coordinates","260852","2021-01-08","03:07:11",""
"7242025","17.329","0.004","36.085","0.007","15.194","0.003","90","","94.59","0.03","90","","9471","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98.25 H83.25 K9 N3.25 O38.5 -","- C91 H51 K9 N O26.5 -","- C364 H204 K36 N4 O106 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","","0.71073","Synchrotron","","0.0829","0.0722","","","0.2254","0.2364","","","","","","1.053","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242026","22.8138","0.0011","7.9496","0.0004","26.091","0.0011","90","","96.564","0.004","90","","4700.9","0.4","150","0.14","150","0.14","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H46.5 Na4 O16.25 -","- C50 H46 Na4 O16.25 -","- C200 H184 Na16 O65 -","4","1","","Coleman, Christopher N.; Tapping, Patrick C.; Huxley, Michael T.; Kee, Tak W.; Huang, David M.; Doonan, Christian J.; Sumby, Christopher J.","Structural modulation of the photophysical and electronic properties of pyrene-based 3D metal‒organic frameworks derived from s-block metals","CrystEngComm","2021","23","1","82","90","10.1039/D0CE01505A","","x-ray","0.71073","MoKα","","0.1475","0.0698","","","0.1399","0.169","","","","","","1.029","","","","has coordinates,has disorder","260852","2021-01-08","03:07:11",""
"7242027","13.1438","0.0007","17.2839","0.001","17.6953","0.0011","90","","104.028","0.006","90","","3900.1","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 O4 -","- C36 H20 N4 O4 -","- C216 H120 N24 O24 -","6","1.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.199","0.0631","","","0.1304","0.1682","","","","","","0.866","","","","has coordinates","262556","2021-03-05","01:43:41",""
"7242028","7.7993","0.0003","22.8606","0.0008","33.5658","0.0011","90","","90","","90","","5984.7","0.4","138","","138","","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C50 H26 N8 O21 -","- C50 H26 N8 O21 -","- C200 H104 N32 O84 -","4","0.25","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.1621","0.1258","","","0.3764","0.3999","","","","","","1.493","","","","has coordinates,has disorder","262556","2021-03-05","01:43:42",""
"7242029","16.6037","0.0003","10.0174","0.0002","32.0776","0.0005","90","","100.676","0.002","90","","5242.98","0.17","138","","138","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C52 H40 N10 O21 S2 -","- C52 H40 N10 O21 S2 -","- C208 H160 N40 O84 S8 -","4","0.5","","Rani, Pooja; Husain, Ahmad; Shukla, Ananya; Singla, Neha; Srivastava, Ankit Kumar; Kumar, Gulshan; Bhasin, K. K.; Kumar, Girijesh","Functionalized naphthalenediimide based supramolecular charge-transfer complexes via self-assembly and their photophysical properties","CrystEngComm","2021","23","8","1859","1869","10.1039/D0CE01719A","","x-ray","0.71073","MoKα","","0.0535","0.0429","","","0.1136","0.1202","","","","","","1.109","","","","has coordinates","262556","2021-03-05","01:43:42",""
"7242030","9.0784","0.0003","13.877","0.0004","16.6645","0.0004","90","","105.807","0.001","90","","2020.02","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl2 Co2 N6 O -","- C18 H16 Cl2 Co2 N6 O -","- C72 H64 Cl8 Co8 N24 O4 -","4","1","","Wu, Wen-Hao; Wang, Ya-Qun; Mi, Hong-Li; Xue, Qing-Xuan; Shao, Feng; Shen, Fei; Yang, Feng-Lei","Magnetic relaxation in a Co(ii) chain complex: synthesis, structure, and DFT computational coupling constant","CrystEngComm","2021","23","6","1398","1405","10.1039/D0CE01662D","","","0.71073","MoKα","","0.0493","0.0328","","","0.0878","0.0927","","","","","","1.048","","","","has coordinates","262582","2021-03-05","01:47:52",""
"7242031","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","262584","2021-03-05","01:48:16",""
"7242032","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","262584","2021-03-05","01:48:17",""
"7242033","12.519","0.003","13.668","0.003","16.827","0.003","99.56","0.03","108.37","0.03","95.92","0.03","2657.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","- C112 H108 Ag2 Cl2 N6 O34 -","1","0.5","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.7","synchrotron","","0.0818","0.0724","","","0.206","0.2117","","","","","","1.07","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242034","12.716","0.003","13.798","0.003","16.84","0.003","97.8","0.03","110.15","0.03","98.57","0.03","2686.6","1.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H54 Ag Cl N3 O13 -","- C60 H54 Ag Cl N3 O13 -","- C120 H108 Ag2 Cl2 N6 O26 -","2","1","","Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang","Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode","CrystEngComm","2021","23","1","40","46","10.1039/D0CE01458C","","","0.8","synchrotron","","0.0848","0.0765","","","0.2184","0.2271","","","","","","1.018","","","","has coordinates,has disorder","260856","2021-01-08","03:13:01",""
"7242035","8.9131","0.0004","11.8184","0.0004","21.8914","0.0009","91.003","0.003","95.825","0.004","106.344","0.004","2198.83","0.16","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 S -","- C26 H24 N4 S -","- C104 H96 N16 S4 -","4","2","","Bhuin, Shouvik; Halder, Sayantan; Saha, Subit Kumar; Chakravarty, Manab","Binding interactions and FRET between bovine serum albumin and various phenothiazine-/anthracene-based dyes: a structure‒property relationship","RSC Advances","2021","11","3","1679","1693","10.1039/D0RA09580J","","x-ray","1.54184","CuKα","","0.0738","0.0671","","","0.1872","0.1933","","","","","","1.061","","","","has coordinates,has disorder","260859","2021-01-08","05:49:32",""
"7242036","31.6645","0.0004","11.334","0.0002","18.9113","0.0002","90","","91.192","0.001","90","","6785.52","0.16","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N O -","- C12.6897 H8.27586 N1.65517 -","- C368 H240 N48 -","29","3.625","","Bhuin, Shouvik; Halder, Sayantan; Saha, Subit Kumar; Chakravarty, Manab","Binding interactions and FRET between bovine serum albumin and various phenothiazine-/anthracene-based dyes: a structure‒property relationship","RSC Advances","2021","11","3","1679","1693","10.1039/D0RA09580J","","x-ray","1.54184","CuKα","","0.0528","0.045","","","0.1246","0.1296","","","","","","1.062","","","","has coordinates","260859","2021-01-08","05:49:37",""
"7242037","20.4243","0.0004","15.3838","0.0002","11.4158","0.0002","90","","103.358","0.0018","90","","3489.85","0.11","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(3,5-difluorophenyl)-2-phenyl-4'H-spiro[indole-3,5'-isoxazole]","","- C22 H14 F2 N2 O -","- C22 H14 F2 N2 O -","- C176 H112 F16 N16 O8 -","8","2","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Skomorokhov, Anton A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of spiro[indole-3,5′-isoxazoles] via Grignard conjugate addition/spirocyclization sequence","RSC Advances","2021","11","3","1783","1793","10.1039/D0RA10219A","","x-ray","1.54184","CuKα","","0.0507","0.0439","","","0.1158","0.123","","","","","","1.026","","","","has coordinates,has disorder","260860","2021-01-08","05:50:07",""
"7242038","7.7112","0.0003","12.8858","0.0006","19.6573","0.0008","90","","91.982","0.002","90","","1952.08","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C72 H56 Ag4 F24 N16 Sb4 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0284","0.0239","","","0.0532","0.0553","","","","","","1.034","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242039","13.6966","0.0013","13.1588","0.0012","26.895","0.003","90","","96.078","0.004","90","","4820.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ag F6 N4 Sb -","- C18 H14 Ag F6 N4 Sb -","- C144 H112 Ag8 F48 N32 Sb8 -","8","2","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.1064","0.0909","","","0.1788","0.1851","","","","","","1.135","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242040","16.2711","0.001","15.9716","0.0011","15.6817","0.0011","90","","102.447","0.003","90","","3979.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Ag2 F12 N8 Sb2 -","- C36 H28 Ag2 F12 N8 Sb2 -","- C144 H112 Ag8 F48 N32 Sb8 -","4","0.5","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0245","0.0223","","","0.0479","0.0492","","","","","","1.051","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242041","16.2241","0.0015","9.242","0.0009","23.889","0.002","90","","107.447","0.002","90","","3417.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Ag B N4 -","- C42 H34 Ag B N4 -","- C168 H136 Ag4 B4 N16 -","4","1","","Venter, Chané; Akerman, Matthew P.","Pre-organisation of ligand donor sets modulates the supramolecular structure of bis(pyridyl‒imine) silver(i) chelates","CrystEngComm","2021","23","5","1294","1304","10.1039/D0CE01610A","","","0.71073","MoKα","","0.0396","0.0289","","","0.0656","0.0695","","","","","","1.046","","","","has coordinates","262561","2021-03-05","01:44:18",""
"7242042","9.5737","0.0005","11.8435","0.0005","15.8044","0.0009","75.085","0.004","75.49","0.004","84.345","0.004","1675.28","0.15","295","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O7.5 Zn -","- C37 H32 N6 O4 Zn -","- C74 H64 N12 O8 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.1282","0.1071","","","0.2672","0.2773","","","","","","1.087","","","","has coordinates","262593","2021-03-05","01:49:34",""
"7242043","10.8405","0.0003","11.9854","0.0004","15.6874","0.0005","68.832","0.003","82.546","0.002","75.177","0.002","1835.87","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N6 O10 Zn2 -","- C41 H36 N6 O10 Zn2 -","- C82 H72 N12 O20 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.064","0.041","","","0.0833","0.09","","","","","","1.021","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242044","8.478","0.0002","11.9324","0.0003","13.6431","0.0003","105.021","0.002","101.269","0.002","105.692","0.003","1229.9","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N3 O9 Zn2 -","- C27 H18 N3 O9 Zn2 -","- C54 H36 N6 O18 Zn4 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0762","0.0485","","","0.1301","0.1428","","","","","","1.077","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242045","8.8439","0.0001","10.2104","0.0002","10.7211","0.0002","99.388","0.002","96.184","0.001","101.935","0.001","924.41","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17.5 N3 O5.5 Zn -","- C20 H16.5 N3 O5.5 Zn -","- C40 H33 N6 O11 Zn2 -","2","1","","Shi, Yong-Sheng; Yu, Qiang; Zhang, Jian-Wei; Cui, Guang-Hua","Four dual-functional luminescent Zn(ii)-MOFs based on 1,2,4,5-benzenetetracarboxylic acid with pyridylbenzimidazole ligands for detection of iron(iii) ions and acetylacetone","CrystEngComm","2021","23","7","1604","1615","10.1039/D0CE01619E","","","0.71073","MoKα","","0.0456","0.0331","","","0.0844","0.0887","","","","","","1.086","","","","has coordinates","262593","2021-03-05","01:49:35",""
"7242046","15.1093","0.0007","17.6849","0.0007","8.2597","0.0003","90","","100.468","0.003","90","","2170.31","0.16","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C34 H52 Ag2 N6 O6 Si4 -","- C34 H52 Ag2 N6 O6 Si4 -","- C68 H104 Ag4 N12 O12 Si8 -","2","0.25","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0263","0.0237","","","0.0601","0.0623","","","","","","1.14","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242047","10.536","0.002","10.805","0.002","17.843","0.004","84.11","0.03","73.3","0.03","73.1","0.03","1861.2","0.8","253","2","253","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","- C54 H92 Ag2 F12 N4 O10 P2 Si4 -","1","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.63","synchrotron","","0.068","0.0517","","","0.1697","0.1826","","","","","","1.088","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242048","13.1079","0.0003","12.2055","0.0004","14.7073","0.0004","90","","106.888","0.002","90","","2251.52","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag B F4 N2 Si2 -","- C17 H26 Ag B F4 N2 Si2 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0908","0.0596","","","0.1513","0.1756","","","","","","1.022","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242049","9.3612","0.0004","16.6277","0.0008","14.6315","0.0007","90","","99.453","0.001","90","","2246.54","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C34 H52 Ag2 B2 F8 N4 Si4 -","- C68 H104 Ag4 B4 F16 N8 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0492","0.0408","","","0.1084","0.1173","","","","","","1.053","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242050","13.055","0.003","12.393","0.003","14.789","0.003","90","","106.13","0.03","90","","2298.5","1","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag Cl N2 O4 Si2 -","- C17 H26 Ag Cl N2 O4 Si2 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.65","synchrotron","","0.0634","0.0525","","","0.1785","0.1881","","","","","","1.055","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242051","9.478","0.0002","16.6234","0.0004","14.6344","0.0004","90","","98.938","0.001","90","","2277.75","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C34 H52 Ag2 Cl2 N4 O8 Si4 -","- C68 H104 Ag4 Cl4 N8 O16 Si8 -","2","0.5","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0373","0.0288","","","0.065","0.0704","","","","","","1.08","","","","has coordinates,has disorder","262562","2021-03-05","01:44:28",""
"7242052","12.6","0.0005","13.2029","0.0006","14.6341","0.0006","90","","101.204","0.002","90","","2388.08","0.17","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Ag F6 N2 P Si2 -","- C17 H26 Ag F6 N2 P Si2 -","- C68 H104 Ag4 F24 N8 P4 Si8 -","4","1","","Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A","Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions","CrystEngComm","2021","23","5","1272","1280","10.1039/D0CE01779E","","","0.71073","MoKα","","0.0627","0.0427","","","0.1018","0.1143","","","","","","1.034","","","","has coordinates","262562","2021-03-05","01:44:28",""
"7242053","15.1069","0.0018","10.2825","0.0011","20.87","0.002","90","","90","","90","","3241.9","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Cu N3 O8 S -","- C14 H16 Cu N3 O8 S -","- C112 H128 Cu8 N24 O64 S8 -","8","1","","Zhu, Jin-Long; Zhu, Peizhi; Chen, Hai-Tao; Yan, Min; Zhang, Kou-Lin","Distinct solvent-dependent luminescence sensing property of a newly constructed Cu(ii)‒organic framework","CrystEngComm","2021","23","9","1929","1941","10.1039/D0CE01724H","","","0.71073","MoKα","","0.0477","0.0356","","","0.0893","0.0943","","","","","","1.036","","","","has coordinates","263725","2021-04-05","14:34:36",""
"7242054","9.099","0.0006","12.6543","0.0009","17.4953","0.0014","69.761","0.007","87.356","0.006","78.198","0.006","1849.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","2","","Kong, Yanyan; Kim, Jung Keun; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie","An oxidant- and catalyst-free electrooxidative cross-coupling approach to 3-tetrahydroisoquinoline substituted coumarins","Green Chemistry","2021","23","3","1274","1279","10.1039/D0GC03930F","","x-ray","1.54184","CuKα","","0.071","0.0512","","","0.1315","0.1504","","","","","","1.022","","","","has coordinates","262666","2021-03-05","02:12:45",""
"7242055","8.6666","0.0005","23.4805","0.0011","9.5853","0.0004","90","","102.461","0.006","90","","1904.62","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Kong, Yanyan; Kim, Jung Keun; Li, Yabo; Zhang, Jianye; Huang, Mengmeng; Wu, Yangjie","An oxidant- and catalyst-free electrooxidative cross-coupling approach to 3-tetrahydroisoquinoline substituted coumarins","Green Chemistry","2021","23","3","1274","1279","10.1039/D0GC03930F","","x-ray","1.54184","CuKα","","0.069","0.0517","","","0.1347","0.1502","","","","","","1.032","","","","has coordinates","262666","2021-03-05","02:12:45",""
"7242056","11.204","0.005","16.844","0.005","18.858","0.005","63.767","0.005","83.998","0.005","77.38","0.005","3115.1","1.9","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.38 H22.4 Cl3 Co F20 N12 O3.38 -","- C69.37 H22.5 Cl3 Co F20 N12 O3.38 -","- C138.74 H45 Cl6 Co2 F40 N24 O6.76 -","2","1","","Shin, Ji-Young","The synthesis and characterization of the octahedral CoIII complex of a pyrrolopyrrolizine derivative formed with dicyanovinylene-bis-(meso-aryl)dipyrrin","RSC Advances","2021","11","4","2315","2319","10.1039/D0RA09452H","","","0.71069","MoKα","","0.1385","0.0972","","","0.2688","0.2944","","","","","","1.072","","","","has coordinates,has disorder","260879","2021-01-09","05:32:29",""
"7242057","7.9404","0.0008","11.6089","0.0014","15.724","0.0018","71.877","0.01","79.537","0.009","78.741","0.01","1339.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16.67 Br1.33 Cl0.67 N2.67 O2 S0.67 -","- C16 H16.6667 Br1.33333 Cl0.666667 N2.66667 O2 S0.666667 -","- C48 H50 Br4 Cl2 N8 O6 S2 -","3","1.5","","Bangade, V. M.; Mali, P. R.; Meshram, H. M.","Solid-phase reactive chromatography (SPRC): a sustainable method for the synthesis of benzimidazol-diphenyl-2-imino-thiazolidine-4-ols (hemiaminals) which are active against lung cancer","RSC Advances","2021","11","4","2320","2324","10.1039/D0RA09082D","","","1.54184","CuKα","","0.0874","0.064","","","0.1851","0.2408","","","","","","1.192","","","","has coordinates","260880","2021-01-09","05:32:58",""
"7242058","9.6474","0.0007","10.8318","0.0006","12.4029","0.0009","103.244","0.006","108.679","0.007","100.155","0.006","1150.52","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Yu, Lirong; Zhang, Mengxing; Lou, Dandan; Li, Jiale; Wang, Xi; Bai, Ming","CH/π-interaction-driven self-assembly of tetraphenylethylene derivatives into the face to face arrangement","RSC Advances","2021","11","4","2377","2382","10.1039/D0RA10572D","","","1.54178","CuKα","","0.0575","0.0483","","","0.1437","0.1559","","","","","","1.046","","","","has coordinates","260909","2021-01-13","05:11:30",""
"7242059","18.2344","0.001","12.6038","0.0004","18.1345","0.001","90","","119.224","0.007","90","","3637.2","0.4","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C80 H192 Cl32 Mn8 N16 -","8","2","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","x-ray","1.54178","CuKα","","0.0809","0.0655","","","0.1787","0.2027","","","","","","1.089","","","","has coordinates","260910","2021-01-13","05:12:43",""
"7242060","13.1016","0.0014","9.0403","0.0012","16.1804","0.0019","90","","90","","90","","1916.4","0.4","348","2","348","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C40 H96 Cl16 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1622","0.0915","","","0.2407","0.2765","","","","","","1.086","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242061","9.2339","0.0006","15.1859","0.001","13.7409","0.0008","90","","91.494","0.006","90","","1926.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br4 Mn N2 -","- C10 H24 Br4 Mn N2 -","- C40 H96 Br16 Mn4 N8 -","4","1","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1699","0.1302","","","0.2812","0.3056","","","","","","1.06","","","","has coordinates","260910","2021-01-13","05:12:44",""
"7242062","13.1299","0.0009","8.8855","0.001","16.1959","0.0014","90","","90","","90","","1889.5","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4.002 Mn N2 -","- C40 H96 Cl16.008 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1323","0.0913","","","0.2426","0.2602","","","","","","1.148","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242063","13.45","0.0003","9.1134","0.0002","16.4176","0.0005","90","","90","","90","","2012.39","0.09","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Br4 Mn N2 -","- C10 H23 Br4 Mn N2 -","- C40 H92 Br16 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","1.54178","CuKα","","0.1417","0.1182","","","0.2712","0.2835","","","","","","1.051","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242064","16.647","0.003","16.647","0.003","7.749","0.003","90","","90","","120","","1859.7","0.9","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C24 H27 Br3 N6 -","- C24 H27 Br3 N6 -","- C72 H81 Br9 N18 -","3","0.166667","","Ma, Shuai; Cui, Jing-Wang; Rao, Cai-Hui; Jia, Meng-Ze; Chen, Yun-Rui; Zhang, Jie","Boosting activity of molecular oxygen by pyridinium-based photocatalysts for metal-free alcohol oxidation","Green Chemistry","2021","23","3","1337","1343","10.1039/D0GC03730C","","","0.71073","MoKα","","0.0752","0.0518","","","0.147","0.2245","","","","","","0.886","","","","has coordinates","262669","2021-03-05","02:13:30",""
"7242065","4.7015","0.0006","7.5668","0.0009","13.7164","0.0015","100.964","0.01","91.553","0.01","102.63","0.01","466.26","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H6 F N O3 -","- C12 H6 F N O3 -","- C24 H12 F2 N2 O6 -","2","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.0691","0.0462","","","0.1245","0.143","","","","","","1.037","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242066","6.182","0.0007","7.343","0.0007","15.4344","0.0009","97.694","0.006","93.323","0.007","97.422","0.009","686.49","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 F N O4 S -","- C14 H12 F N O4 S -","- C28 H24 F2 N2 O8 S2 -","2","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.062","0.0456","","","0.1115","0.1235","","","","","","1.044","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242067","28.1572","0.0005","11.7989","0.0002","6.8522","0.00014","90","","107.682","0.002","90","","2168.92","0.07","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C104 H72 N8 O32 -","8","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.054","0.0398","","","0.1113","0.1211","","","","","","1.072","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242068","7.7844","0.0015","7.8633","0.0012","9.9225","0.0018","71.839","0.015","82.19","0.016","67.855","0.016","534.42","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 F N O3 -","- C13 H8 F N O3 -","- C26 H16 F2 N2 O6 -","2","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.0759","0.0509","","","0.135","0.1615","","","","","","1.037","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242069","4.6906","0.0003","14.7537","0.0009","16.5416","0.0011","90","","97.187","0.006","90","","1135.75","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.1001","0.059","","","0.1356","0.1657","","","","","","1.014","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242070","4.70525","0.00016","13.1424","0.0004","18.3356","0.0005","90","","96.343","0.003","90","","1126.9","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br N O3 -","- C13 H8 Br N O3 -","- C52 H32 Br4 N4 O12 -","4","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.0584","0.0495","","","0.1296","0.142","","","","","","1.03","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242071","7.6718","0.0015","7.8925","0.0013","10.0037","0.0014","71.388","0.014","80.879","0.014","66.502","0.017","526.1","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C26 H18 N2 O6 -","2","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.0732","0.0472","","","0.1264","0.1481","","","","","","1.025","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242072","14.4314","0.0008","4.4645","0.0003","18.5538","0.0011","90","","90.744","0.005","90","","1195.3","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Li, Wenhao; Duan, Wenxue; Tang, Qingxuan; Li, Zhan-Ting; Yang, Guanyu","Simple and efficient syntheses of 2-hydroxy-3H-phenoxazin-3-ones by aerobic oxidative cross-cyclocondensation in water","Green Chemistry","2021","23","3","1136","1139","10.1039/D0GC03861J","","x-ray","1.54184","CuKα","","0.0786","0.0493","","","0.1205","0.1454","","","","","","1.017","","","","has coordinates","262667","2021-03-05","02:12:58",""
"7242073","10.0026","0.0007","10.14","0.0009","10.8176","0.001","108.089","0.008","96.421","0.007","92.493","0.006","1032.86","0.16","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H23 Cl3 N2 O5 -","- C17 H23 Cl3 N2 O5 -","- C34 H46 Cl6 N4 O10 -","2","1","","Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane","A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06312F","","x-ray","1.54184","CuKα","","0.0596","0.0459","","","0.1053","0.1138","","","","","","1.027","","","","has coordinates","260947","2021-01-14","04:54:27",""
"7242074","18.9606","0.0002","14.2438","0.0002","25.8792","0.0003","90","","90.02","0.001","90","","6989.22","0.15","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H44 N4 O13.5 -","- C30 H44 N4 O13.5 -","- C240 H352 N32 O108 -","8","1","","Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane","A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06312F","","x-ray","1.54184","CuKα","","0.0492","0.0462","","","0.1234","0.127","","","","","","1.089","","","","has coordinates,has disorder","260947","2021-01-14","04:54:30",""
"7242075","14.92326","0.00018","8.57252","0.00008","15.64663","0.00018","90","","94.0935","0.0011","90","","1996.57","0.04","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H30 N2 O9 -","- C16 H30 N2 O9 -","- C64 H120 N8 O36 -","4","1","","Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane","A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06312F","","x-ray","1.54184","CuKα","","0.038","0.0344","","","0.1251","0.1325","","","","","","1.106","","","","has coordinates","260947","2021-01-14","04:54:30",""
"7242076","7.9743","0.0004","17.9548","0.0007","10.8807","0.0004","90","","108.121","0.004","90","","1480.6","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C60 H76 N4 O20 -","4","1","","Connolly, Sean; Tiwari, Rahul; Holder, Simon J.; Shepherd, Helena Jane","A simple strategy to overcome concentration dependence of photoswitching properties in donor-acceptor Stenhouse adducts","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06312F","","x-ray","1.54184","CuKα","","0.0556","0.0415","","","0.1173","0.1314","","","","","","0.873","","","","has coordinates","260947","2021-01-14","04:54:30",""
"7242077","12.2658","0.001","21.0563","0.0016","20.8415","0.0018","90","","103.532","0.007","90","","5233.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H63 Br Cl2 O10 -","- C56 H63 Br Cl2 O10 -","- C224 H252 Br4 Cl8 O40 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene","RSC Advances","2021","11","5","2995","3002","10.1039/D1RA00078K","","","0.71075","MoKα","","0.1768","0.0985","","","0.2872","0.3241","","","","","","1.064","","","","has coordinates,has disorder","260983","2021-01-15","05:11:30",""
"7242078","12.8823","0.0007","24.2792","0.0012","16.7762","0.0008","90","","92.983","0.007","90","","5240","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H67 Br O10 -","- C58 H67 Br O10 -","- C232 H268 Br4 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene","RSC Advances","2021","11","5","2995","3002","10.1039/D1RA00078K","","","0.71075","MoKα","","0.1599","0.0653","","","0.1487","0.1826","","","","","","1.007","","","","has coordinates","260983","2021-01-15","05:11:31",""
"7242079","38.9455","0.0013","12.2323","0.0005","24.7957","0.0008","90","","98.379","0.007","90","","11686.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Br2 O10 -","- C60 H72 Br2 O10 -","- C480 H576 Br16 O80 -","8","2","","Al-Azemi, Talal F.; Vinodh, Mickey","Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene","RSC Advances","2021","11","5","2995","3002","10.1039/D1RA00078K","","","0.71075","MoKα","","0.2227","0.1114","","","0.3046","0.3723","","","","","","1.059","","","","has coordinates,has disorder","260983","2021-01-15","05:11:31",""
"7242080","9.14","0.0004","9.3542","0.0004","10.6916","0.0005","104.278","0.002","90.57","0.002","91.63","0.002","885.37","0.07","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C38 H42 O9 -","1","1","","Li, Linwei; Huang, Jianan; Lyu, Hui; Guan, Fuqin; Li, Pirui; Tian, Mei; Xu, Shu; Zhao, Xingzeng; Liu, Fei; Paetz, Christian; Feng, Xu; Chen, Yu","Two lathyrane diterpenoid stereoisomers containing an unusual trans-gem-dimethylcyclopropane from the seeds of Euphorbia lathyris","RSC Advances","2021","11","5","3183","3189","10.1039/D0RA10724G","","","1.54178","CuKα","","0.0343","0.0336","","","0.0954","0.0963","","","","","","1.039","","","","has coordinates","260984","2021-01-15","05:12:00",""
"7242081","15.679","0.009","11.03","0.006","18.158","0.011","90","","102.581","0.017","90","","3065","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N5 O7 Zn -","- C34 H27 N5 O7 Zn -","- C136 H108 N20 O28 Zn4 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0872","0.0519","","","0.1007","0.1103","","","","","","0.999","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242082","16.564","0.007","17.185","0.007","10.62","0.005","90","","92.819","0.016","90","","3019","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 Co N5 O7 -","- C34 H27 Co N5 O7 -","- C136 H108 Co4 N20 O28 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0514","0.0458","","","0.1269","0.1302","","","","","","0.977","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242083","13.8693","0.001","50.702","0.004","8.3094","0.0006","90","","90","","90","","5843.2","0.8","302","2","302","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C64 H44 N10 O13 Zn2 -","- C64 H44 N10 O13 Zn2 -","- C256 H176 N40 O52 Zn8 -","4","1","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.1098","0.0757","","","0.1513","0.1592","","","","","","1.269","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242084","24.357","0.002","16.6019","0.0016","18.5781","0.0019","90","","90","","90","","7512.5","1.2","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C82 H60 Co3 N14 O15 -","- C82 H60 Co3 N14 O15 -","- C328 H240 Co12 N56 O60 -","4","0.5","","Xue, Yun-Shan; Zhang, Chen; Lv, Jun Qing; Chen, Ning-Ning; Wang, Jun; Chen, Xuan-Rong; Fan, Liming","Luminescence sensing and photocatalytic activities of four Zn(ii)/Co(ii) coordination polymers based on a pyridinephenyl bifunctional ligand","CrystEngComm","2021","23","6","1497","1506","10.1039/D0CE01812K","","","0.71073","MoKα","","0.0693","0.0515","","","0.1261","0.1343","","","","","","0.983","","","","has coordinates","262581","2021-03-05","01:47:47",""
"7242085","23.5717","0.001","7.6109","0.0003","16.3266","0.0008","90","","124.849","0.002","90","","2403.73","0.19","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Co N14 O4 -","- C20 H16 Co N14 O4 -","- C80 H64 Co4 N56 O16 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0417","0.0366","","","0.0908","0.0935","","","","","","1.035","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242086","20.4571","0.0013","16.4629","0.0013","10.3821","0.0007","90","","99.791","0.003","90","","3445.6","0.4","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H25 Cd3 N7 O18 -","- C27 H25 Cd3 N7 O18 -","- C108 H100 Cd12 N28 O72 -","4","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0311","0.0228","","","0.0542","0.057","","","","","","1.036","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242087","9.7397","0.0005","13.5689","0.0006","12.187","0.0006","90","","113.423","0.0013","90","","1477.88","0.12","295","2","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Cd N7 O4 -","- C11 H7 Cd N7 O4 -","- C44 H28 Cd4 N28 O16 -","4","1","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.027","0.0215","","","0.0486","0.0505","","","","","","1.033","","","","has coordinates","262558","2021-03-05","01:43:55",""
"7242088","10.1603","0.0005","11.7436","0.0005","13.3228","0.0006","81.308","0.001","73.137","0.001","88.206","0.001","1503.7","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","- C54 H38 N28 O14 Zn3 -","1","0.5","","Yu, Huaguang; Sun, Jing","Synthesis, structure, and fluorescence properties of coordination polymers of 3,5-bis(1′,2′,4′-triazol-1′-yl) pyridine","CrystEngComm","2021","23","8","1744","1755","10.1039/D0CE01649G","","","0.71073","MoKα","","0.0617","0.0397","","","0.0986","0.106","","","","","","1.04","","","","has coordinates,has disorder","262558","2021-03-05","01:43:55",""
"7242089","14.0276","0.0008","7.865","0.0004","14.9871","0.0008","90","","115.475","0.002","90","","1492.72","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.0633","0.0457","","","0.1072","0.1137","","","","","","1.105","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242090","16.4359","0.0013","3.8887","0.0003","45.843","0.004","90","","90","","90","","2930","0.4","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Vanillin","","- C8 H8 O3 -","- C8 H8 O3 -","- C128 H128 O48 -","16","4","","Sundareswaran, Supriya; Karuppannan, Srinivasan","Nucleation control and separation of vanillin polymorphs I and II through the swift cooling crystallization process","CrystEngComm","2021","23","7","1634","1642","10.1039/D0CE01557A","","","0.71073","MoKα","","0.1558","0.0597","","","0.0845","0.104","","","","","","1.014","","","","has coordinates","262587","2021-03-05","01:48:48",""
"7242091","6.989","0.0014","8.308","0.0017","16.476","0.003","83.84","0.03","78.78","0.03","79.1","0.03","919","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H31 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.0906","0.0627","","","0.1562","0.1726","","","","","","1.007","","","","has coordinates","262553","2021-03-05","01:42:55",""
"7242092","7.595","0.007","9.979","0.01","20.822","0.019","85.1","0.03","83.7","0.04","84.22","0.03","1556","3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H57 Br N2 O -","- C28 H57 Br N2 O -","- C56 H114 Br2 N4 O2 -","2","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","1.54178","CuKα","","0.082","0.0611","","","0.1243","0.1319","","","","","","1.168","","","","has coordinates","262553","2021-03-05","01:42:58",""
"7242093","22.453","0.0013","8.5697","0.0005","10.2184","0.0007","90","","91.87","0.002","90","","1965.1","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C68 H132 Br4 N8 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Yang, Mei; Hölter, Milena; Mallick, Bert; Smetana, Volodymyr; Mudring, Anja-Verena","Developing design tools for introducing and tuning structural order in ionic liquids","CrystEngComm","2021","23","8","1785","1795","10.1039/D0CE01672A","","","0.71073","MoKα","","0.1164","0.0517","","","0.1123","0.1357","","","","","","1.02","","","","has coordinates","262553","2021-03-05","01:43:00",""
"7242094","11.389","0.005","25.046","0.005","10.134","0.005","90","0.005","106.839","0.005","90","0.005","2766.8","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 N10 Ni O12 -","- C62 H48 N10 Ni O12 -","- C124 H96 N20 Ni2 O24 -","2","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71069","MoKα","","0.1249","0.0627","","","0.1582","0.1936","","","","","","1.019","","","","has coordinates","262568","2021-03-05","01:45:29",""
"7242095","27.1381","0.0015","9.546","0.0005","26.1291","0.0014","90","","119.788","0.002","90","","5874.6","0.6","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 N8 Ni2 O13 -","- C62 H60 N8 Ni2 O13 -","- C248 H240 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0659","0.0397","","","0.0985","0.1107","","","","","","1.015","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242096","10.8482","0.0004","11.7284","0.0005","25.7782","0.0009","90","","100.649","0.001","90","","3223.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 Ni O10 -","- C32 H32 N4 Ni O10 -","- C128 H128 N16 Ni4 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0494","0.0351","","","0.0912","0.0986","","","","","","1.025","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242097","24.0029","0.0019","8.5417","0.0007","17.688","0.0013","90","","92.236","0.003","90","","3623.7","0.5","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 N6 Ni O12 -","- C38 H28 N6 Ni O12 -","- C152 H112 N24 Ni4 O48 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1581","0.0862","","","0.2382","0.2893","","","","","","1.053","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242098","27.98","0.004","9.5268","0.0011","26.15","0.003","90","","121.298","0.005","90","","5956.2","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H56 N8 Ni2 O13 -","- C68 H56 N8 Ni2 O13 -","- C272 H224 N32 Ni8 O52 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0794","0.0433","","","0.0978","0.1129","","","","","","1.004","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242099","12.5279","0.0007","11.1904","0.0006","20.7164","0.0012","90","","97.053","0.001","90","","2882.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cu N4 O10 -","- C27 H28 Cu N4 O10 -","- C108 H112 Cu4 N16 O40 -","4","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1448","0.0598","","","0.1369","0.1762","","","","","","0.953","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242100","11.2388","0.0008","11.4778","0.0008","12.7315","0.001","93.977","0.002","105.839","0.002","95.628","0.002","1564.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Cu N4 O7 -","- C33 H36 Cu N4 O7 -","- C66 H72 Cu2 N8 O14 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.0984","0.0547","","","0.123","0.1379","","","","","","0.99","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242101","9.0605","0.0006","14.3095","0.0009","15.1659","0.001","90","","104.665","0.001","90","","1902.2","0.2","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H36 Cu N4 O9 -","- C40 H36 Cu N4 O9 -","- C80 H72 Cu2 N8 O18 -","2","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1146","0.0612","","","0.1418","0.1682","","","","","","1.006","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242102","26.608","0.006","13.302","0.002","21.946","0.004","90","","111.863","0.007","90","","7209","2","296","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28 Cu N6 O10 -","- C38 H28 Cu N6 O10 -","- C304 H224 Cu8 N48 O80 -","8","1","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.1486","0.0532","","","0.1125","0.1499","","","","","","0.926","","","","has coordinates","262568","2021-03-05","01:45:30",""
"7242103","23.655","0.004","8.6269","0.0013","17.55","0.003","90","","91.319","0.003","90","","3580.5","1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 Ni O8 -","- C40 H38 N4 Ni O8 -","- C160 H152 N16 Ni4 O32 -","4","0.5","","Liu, Guocheng; Zhao, Jing; Liang, Shuang; Li, Yan; Chang, Zhihan; Wang, Xiuli; Chen, Baokuan","Ten polytorsional-amide-induced helical-based coordination polymers with difunctional electrochemical activities","CrystEngComm","2021","23","5","1263","1271","10.1039/D0CE01754J","","","0.71073","MoKα","","0.083","0.0662","","","0.174","0.1865","","","","","","1.058","","","","has coordinates,has disorder","262568","2021-03-05","01:45:30",""
"7242104","11.6962","0.001","12.7639","0.001","12.7562","0.001","90","","112.592","0.002","90","","1758.2","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Fe N5 O S2 -","- C14 H18 Fe N5 O S2 -","- C56 H72 Fe4 N20 O4 S8 -","4","1","","Basak, Tanmoy; Gómez-García, Carlos J.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight","RSC Advances","2021","11","6","3315","3323","10.1039/D0RA09425K","","","0.71073","MoKα","","0.0498","0.0371","","","0.1053","0.1144","","","","","","1.133","","","","has coordinates","261017","2021-01-17","04:46:30",""
"7242105","11.143","0.003","13.276","0.003","11.981","0.003","90","","108.225","0.006","90","","1683.5","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cl Fe N6 O -","- C13 H20 Cl Fe N6 O -","- C52 H80 Cl4 Fe4 N24 O4 -","4","1","","Basak, Tanmoy; Gómez-García, Carlos J.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight","RSC Advances","2021","11","6","3315","3323","10.1039/D0RA09425K","","","0.71073","MoKα","","0.1011","0.0787","","","0.205","0.2336","","","","","","1.059","","","","has coordinates,has disorder","261017","2021-01-17","04:46:31",""
"7242106","22.076","0.002","10.1079","0.0008","16.921","0.002","90","","107.25","0.011","90","","3606","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N2 O3 -","- C23 H16 N2 O3 -","- C184 H128 N16 O24 -","8","1","","Zilla, Mahesh K.; Mahajan, Sheena; Khajuria, Rajni; Gupta, Vivek K.; Kapoor, Kamal K.; Ali, Asif","An efficient synthesis of 4-phenoxy-quinazoline, 2-phenoxy-quinoxaline, and 2-phenoxy-pyridine derivatives using aryne chemistry","RSC Advances","2021","11","6","3477","3483","10.1039/D0RA09994E","","","0.71073","MoKα","","0.0848","0.0445","","","0.0911","0.109","","","","","","0.993","","","","has coordinates","261018","2021-01-17","04:47:08",""
"7242107","8.1694","0.0012","9.7524","0.0016","11.898","0.0018","73.012","0.014","75.211","0.013","67.352","0.015","825.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Zilla, Mahesh K.; Mahajan, Sheena; Khajuria, Rajni; Gupta, Vivek K.; Kapoor, Kamal K.; Ali, Asif","An efficient synthesis of 4-phenoxy-quinazoline, 2-phenoxy-quinoxaline, and 2-phenoxy-pyridine derivatives using aryne chemistry","RSC Advances","2021","11","6","3477","3483","10.1039/D0RA09994E","","","0.71073","MoKα","","0.0945","0.0533","","","0.1235","0.1519","","","","","","1.042","","","","has coordinates","261018","2021-01-17","04:47:08",""
"7242108","18.07","0.003","21.05","0.003","21.095","0.005","105.503","0.009","104.705","0.008","104.621","0.005","7023","2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H110 Cl17 N50 O28 Zn4 -","- C92 H110 Cl17 N50 O28 Zn4 -","- C184 H220 Cl34 N100 O56 Zn8 -","2","1","","Meng, Ye; Zhao, Weiwei; Zheng, Jun; Jiang, Daofa; Gao, Jie; Jin, Yanmei; Ma, Peihua","Host‒guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene","RSC Advances","2021","11","6","3470","3475","10.1039/D0RA09074C","","","0.71073","MoKα","","0.0783","0.0531","","","0.1542","0.1702","","","","","","1.051","","","","has coordinates","261019","2021-01-17","04:47:43",""
"7242109","11.664","0.005","14.379","0.007","15.558","0.007","101.417","0.014","100.443","0.015","107.344","0.014","2359.5","1.9","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H76 Cl8 N28 O12 Zn2 -","- C68 H76 Cl8 N28 O12 Zn2 -","- C68 H76 Cl8 N28 O12 Zn2 -","1","0.5","","Meng, Ye; Zhao, Weiwei; Zheng, Jun; Jiang, Daofa; Gao, Jie; Jin, Yanmei; Ma, Peihua","Host‒guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene","RSC Advances","2021","11","6","3470","3475","10.1039/D0RA09074C","","","0.71073","MoKα","","0.205","0.1182","","","0.3377","0.3755","","","","","","1.11","","","","has coordinates","261019","2021-01-17","04:47:43",""
"7242110","5.32612","0.00003","5.32612","0.00003","5.32612","0.00003","90","","90","","90","","151.089","0.0015","818","","818","","","","","","","","","3","F -4 3 m","F -4 2 3","216","chalcopyrite","","?Chalkopyrit?","- Cu0.5 Fe0.5 S -","- Cu0.5 Fe0.5 S -","- Cu2 Fe2 S4 -","4","0.0416667","","Frenzel, Ninett; Mehne, Marcel; Bette, Sebastian; Kureti, Sven; Frisch, Gero","Synthesis and stability of single-phase chalcopyrite ‒ a potential reference material for key investigations in chemistry and metallurgical engineering","RSC Advances","2021","11","5","3153","3161","10.1039/D0RA09700D","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0456","","1.23","","","","","","","has coordinates","261020","2021-01-17","04:48:09",""
"7242111","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Chen, Zesheng; He, Kun-huan; Wei, Runzhi; Lv, Yiju; Liu, Zheng; Han, Guo-Cheng","Synthesis of Mn-MOFs loaded zinc phosphate composite for water-based acrylic coatings with durable anticorrosion performance on mild steel","RSC Advances","2021","11","6","3371","3379","10.1039/D0RA09753E","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","261021","2021-01-17","04:48:32",""
"7242112","18.5939","0.0008","7.6992","0.0003","14.9541","0.0007","90","","90","","90","","2140.8","0.16","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C88 H80 N16 Ni4 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0254","0.0226","","","0.0525","0.0536","","","","","","1.03","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242113","5.5521","0.0017","10.63","0.003","10.978","0.003","66.111","0.004","87.833","0.005","80.289","0.005","583.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","- C22 H26 Co N4 O8 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0438","0.0381","","","0.1226","0.1391","","","","","","1.209","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242114","11.0003","0.0006","12.7408","0.0007","15.3439","0.0008","103.41","0.001","108.677","0.001","95.755","0.001","1945.82","0.18","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","- C78 H76 N16 Ni3 O18 -","1","0.5","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.055","0.0492","","","0.1383","0.1408","","","","","","1.212","","","","has coordinates,has disorder","262585","2021-03-05","01:48:29",""
"7242115","12.4014","0.0007","13.6927","0.0007","12.6869","0.0006","90","","105.129","0.002","90","","2079.68","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Co N4 O5 -","- C22 H20 Co N4 O5 -","- C88 H80 Co4 N16 O20 -","4","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0604","0.0504","","","0.1761","0.1835","","","","","","1.076","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242116","9.031","0.005","9.063","0.006","16.232","0.01","96.661","0.009","92.025","0.009","111.918","0.008","1219.7","1.3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Co N6 O4 -","- C28 H23 Co N6 O4 -","- C56 H46 Co2 N12 O8 -","2","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0472","0.0409","","","0.1113","0.1168","","","","","","1.037","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242117","15.3304","0.0016","17.4349","0.0018","15.9678","0.0018","90","","90","","90","","4267.9","0.8","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H20 N4 Ni O5 -","- C22 H20 N4 Ni O5 -","- C176 H160 N32 Ni8 O40 -","8","1","","Zhang, Mei-Li; Bai, Ye; Ren, Yi-Xia; Wang, Ji-Jiang; Yang, Xiao-Gang; Ma, Lu-Fang","Structural diversity and photocatalytic activity of six Co(ii)/Ni(ii) complexes with three flexible phenylenediacetate isomers","CrystEngComm","2021","23","7","1616","1627","10.1039/D0CE01702G","","","0.71073","MoKα","","0.0837","0.0466","","","0.1066","0.1256","","","","","","1.06","","","","has coordinates","262585","2021-03-05","01:48:29",""
"7242118","13.2958","0.0007","10.0194","0.0007","16.6456","0.0007","90","","106.404","0.005","90","","2127.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 Mn3 N10 O16 -","- C36 H46 Mn3 N10 O16 -","- C72 H92 Mn6 N20 O32 -","2","0.5","","Asghar, Aisha; Iqbal, Naseem; Noor, Tayyaba; Kariuki, Benson M.; Kidwell, Luke; Easun, Timothy L.","Efficient electrochemical synthesis of a manganese-based metal‒organic framework for H2 and CO2 uptake","Green Chemistry","2021","23","3","1220","1227","10.1039/D0GC03292A","","","1.54184","CuKα","","0.1136","0.0772","","","0.2024","0.2381","","","","","","1.043","","","","has coordinates,has disorder","262668","2021-03-05","02:13:07",""
"7242119","13.4484","0.0004","10.1799","0.0003","17.656","0.0005","90","","90.271","0.003","90","","2417.14","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Mn N O5 -","- C11 H11 Mn N O5 -","- C88 H88 Mn8 N8 O40 -","8","2","","Asghar, Aisha; Iqbal, Naseem; Noor, Tayyaba; Kariuki, Benson M.; Kidwell, Luke; Easun, Timothy L.","Efficient electrochemical synthesis of a manganese-based metal‒organic framework for H2 and CO2 uptake","Green Chemistry","2021","23","3","1220","1227","10.1039/D0GC03292A","","","0.71073","MoKα","","0.0401","0.0315","","","0.0711","0.0772","","","","","","1.056","","","","has coordinates","262668","2021-03-05","02:13:17",""
"7242120","7.8843","0.0004","14.5796","0.0006","11.56","0.0004","90","","97.065","0.003","90","","1318.73","0.1","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H34 Br I2 N -","- C23 H34 Br I2 N -","- C46 H68 Br2 I4 N2 -","2","0.5","","González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago","Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene.","Physical chemistry chemical physics : PCCP","2021","23","5","3531","3542","10.1039/d0cp05917j","","","0.71073","MoKα","","0.0712","0.048","","","0.0937","0.107","","","","","","1.089","","","","has coordinates","262727","2021-03-05","02:27:31",""
"7242121","17.9505","0.0008","8.6914","0.0004","18.8483","0.0007","90","","90.616","0.004","90","","2940.4","0.2","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H40 Br I2 N -","- C26 H22 Br I2 N -","- C104 H88 Br4 I8 N4 -","4","1","","González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago","Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene.","Physical chemistry chemical physics : PCCP","2021","23","5","3531","3542","10.1039/d0cp05917j","","","0.71073","MoKα","","0.0785","0.0553","","","0.1564","0.1699","","","","","","1.066","","","","has coordinates","262727","2021-03-05","02:27:31",""
"7242122","9.9332","0.0004","8.8016","0.0004","14.5701","0.0007","90","","98.374","0.004","90","","1260.25","0.1","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H32 Br I2 N -","- C22 H32 Br I2 N -","- C44 H64 Br2 I4 N2 -","2","0.5","","González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago","Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene.","Physical chemistry chemical physics : PCCP","2021","23","5","3531","3542","10.1039/d0cp05917j","","","0.71073","MoKα","","0.0943","0.0431","","","0.0628","0.0692","","","","","","0.795","","","","has coordinates","262727","2021-03-05","02:27:31",""
"7242123","4.1533","0.0003","17.1541","0.0016","7.0511","0.0005","90","","95.332","0.007","90","","500.19","0.07","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I2 -","- C10 H4 I2 -","- C20 H8 I4 -","2","0.5","","González, Lucia; Graus, Sara; Gaspar, Blanca; Espasa, Sheila; Velázquez-Campoy, Adrián; Munarriz, Julen; Serrano, José Luis; Tejedor, Rosa M.; Uriel, Santiago","Interplay between non-covalent interactions in 1D supramolecular polymers based on 1,4-bis(iodoethynyl)benzene.","Physical chemistry chemical physics : PCCP","2021","23","5","3531","3542","10.1039/d0cp05917j","","","0.71073","MoKα","","0.0693","0.0434","","","0.065","0.0756","","","","","","1.02","","","","has coordinates","262727","2021-03-05","02:27:31",""
"7242124","13.0566","0.0003","13.1211","0.0003","15.1852","0.0003","92.7541","0.0018","96.9186","0.0018","94.0236","0.0018","2571.98","0.1","210.05","0.1","210.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0666","0.0581","","","0.1717","0.1837","","","","","","1.044","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242125","6.8417","0.0003","12.7268","0.0006","15.2879","0.0006","104.555","0.004","99.233","0.003","98.058","0.004","1248.84","0.1","100.05","0.1","100.05","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C56 H80 O8 -","1","0.5","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0463","0.0363","","","0.0895","0.0973","","","","","","1.018","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242126","12.9716","0.0003","13.0379","0.0003","14.9706","0.0003","95.6026","0.0016","92.8626","0.0016","94.0129","0.0016","2509.48","0.1","99.8","0.4","99.8","0.4","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0411","0.0359","","","0.0935","0.0981","","","","","","1.037","","","","has coordinates","263728","2021-04-05","14:35:00",""
"7242127","12.6612","0.0004","14.1198","0.0003","15.7544","0.0004","104.714","0.002","96.728","0.002","99.499","0.002","2649.14","0.13","250","0.14","250","0.14","","","","","","","","3","P -1","-P 1","2","","","","- C56 H80 O8 -","- C56 H80 O8 -","- C112 H160 O16 -","2","1","","Mirzaei, Saber; Lindeman, Sergey V.; Wang, Denan; Mirzaei, M. Saeed; Timerghazin, Qadir K.","Conformational switch in the crystal states of a calix[4]arene","CrystEngComm","2021","23","9","1906","1911","10.1039/D0CE01704C","","x-ray","1.54184","CuKα","","0.0844","0.0748","","","0.246","0.2636","","","","","","1.065","","","","has coordinates,has disorder","263728","2021-04-05","14:35:00",""
"7242128","25.3668","0.0002","25.3668","0.0002","15.1922","0.0002","90","","90","","90","","9775.79","0.17","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 Eu N O7 -","- C14 H8 Eu N O7 -","- C224 H128 Eu16 N16 O112 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0503","0.0473","","","0.1809","0.1843","","","","","","1.086","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242129","25.3649","0.0001","25.3649","0.0001","15.2716","0.0001","90","","90","","90","","9825.41","0.08","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H8 N O7 Tb -","- C14 H8 N O7 Tb -","- C224 H128 N16 O112 Tb16 -","16","1","","Dong, Jian-Peng; Li, Bo; Jin, Yu-Jie; Wang, Li-Ya","Efficient detection of Fe(iii) and chromate ions in water using two robust lanthanide metal‒organic frameworks","CrystEngComm","2021","23","7","1677","1683","10.1039/D0CE01802C","","","1.54178","CuKα","","0.0642","0.0607","","","0.2499","0.2579","","","","","","1.105","","","","has coordinates","262589","2021-03-05","01:49:05",""
"7242130","13.4885","0.0001","11.1767","0.0001","16.4909","0.0002","90","","98.544","0.001","90","","2458.53","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N2 O2 S -","- C11 H16 N2 O2 S -","- C88 H128 N16 O16 S8 -","8","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0323","0.0304","","","0.0765","0.0778","","","","","","1.054","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242131","7.1366","0.0002","10.7767","0.0003","16.6259","0.0004","90","","100.221","0.002","90","","1258.39","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl N2 O2 S -","- C11 H15 Cl N2 O2 S -","- C44 H60 Cl4 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.54184","CuKα","","0.0365","0.0308","","","0.075","0.08","","","","","","1.042","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242132","10.8235","0.0005","11.2124","0.0005","12.3443","0.0005","90.05","0.003","108.737","0.004","114.559","0.004","1274.54","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","2","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","0.71073","MoKα","","0.0539","0.0408","","","0.1043","0.1142","","","","","","1.049","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242133","7.0472","0.0002","10.7489","0.0002","16.9533","0.0004","90","","99.109","0.002","90","","1268.01","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Tan, Sang Loon; Tiekink, Edward R. T.","Non-covalent interactions involving remote substituents influence the topologies of supramolecular chains featuring hydroxyl-O‒H⋯O(hydroxyl) hydrogen bonding in crystals of (HOCH2CH2)2NC(S)N(H)(C6H4Y-4) for Y = H, Me, Cl and NO2","CrystEngComm","2021","23","8","1723","1743","10.1039/D0CE01810D","","","1.5418","CuKα","","0.0326","0.0291","","","0.0708","0.0735","","","","","","1.047","","","","has coordinates","262554","2021-03-05","01:43:08",""
"7242134","8.972","0.006","7.067","0.005","16.369","0.01","90","","94.273","0.011","90","","1035","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide tetrahydrate","","- C3 H14 N6 O6 -","- C3 H14 N6 O6 -","- C12 H56 N24 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0616","0.0433","","","0.1122","0.1237","","","","","","1.014","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242135","15.358","0.006","7.426","0.003","15.144","0.006","90","","111.743","0.007","90","","1604.3","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,6-diamino-1,3-dihydroxy-2-oxo-2,3-dihydro-1,3,5-triazin-1-ium nitrate","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1017","0.05","","","0.1118","0.1379","","","","","","0.985","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242136","7.055","0.003","8.868","0.004","9.776","0.004","86.644","0.007","69.909","0.007","87.122","0.008","573.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","sodium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide pentahydrate","","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","- C6 H30 N12 Na2 O14 -","1","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1594","0.1089","","","0.2548","0.3113","","","","","","0.908","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242137","13.067","0.003","14.398","0.003","6.5342","0.0013","90","","90","","90","","1229.3","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","4,6-diamino-3-hydroxy-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide hemihydrate","","- C6 H12 N10 O7 -","- C6 H12 N10 O7 -","- C24 H48 N40 O28 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1057","0.052","","","0.0962","0.1123","","","","","","0.881","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242138","10.619","0.002","7.138","0.0014","14.224","0.003","90","","103.238","0.003","90","","1049.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","sodium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide tetrahydrate","","- C3 H12 N5 Na O7 -","- C3 H12 N5 Na O7 -","- C12 H48 N20 Na4 O28 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0546","0.0382","","","0.09","0.0975","","","","","","0.96","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242139","13.776","0.007","3.764","0.002","12.796","0.006","90","","90","","90","","663.5","0.6","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","potassium 4,6-diamino-2-imino-3-oxido-2,3-dihydro-1,3,5-triazine-1-oxide","","- C3 H5 K N6 O2 -","- C3 H5 K N6 O2 -","- C12 H20 K4 N24 O8 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0911","0.0507","","","0.0764","0.0876","","","","","","0.833","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242140","4.0471","0.0009","11.869","0.003","16.879","0.004","90","","91.091","0.004","90","","810.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-1,3,5-triazine-1,3-dioxide dihydrate","","- C3 H10 N6 O4 -","- C3 H10 N6 O4 -","- C12 H40 N24 O16 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0407","0.0341","","","0.0873","0.0924","","","","","","1.024","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242141","9.2305","0.0009","7.0126","0.0007","27.175","0.002","90","","90","","90","","1759","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","potassium 4,6-diamino-3-oxido-2-oxo-2,3-dihydro-1,3,5-triazine-1-oxide . 2.5H2O","","- C6 H18 K2 N10 O11 -","- C6 H18 K2 N10 O11 -","- C24 H72 K8 N40 O44 -","4","0.5","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.0525","0.0423","","","0.1287","0.136","","","","","","1.057","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242142","7.448","0.003","8.709","0.004","10.072","0.004","114.164","0.006","94.456","0.006","107.497","0.007","553.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-triamino-1,3-dihydroxy-1,3,5-triazine-1,3-diium dinitrate monohydrate","","- C3 H10 N8 O9 -","- C3 H10 N8 O9 -","- C6 H20 N16 O18 -","2","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1059","0.0591","","","0.1427","0.1732","","","","","","1.002","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242143","6.635","0.003","13.288","0.006","10.347","0.002","90","","96.915","0.018","90","","905.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4,6-triamino-3-hydroxy-1,3,5-triazin-3-ium-1-oxide nitrate monohydrate","","- C3 H9 N7 O6 -","- C3 H9 N7 O6 -","- C12 H36 N28 O24 -","4","1","","Feng, Zhicun; Zhang, Yu; Li, Yanan; Xu, Kangzhen","Adjacent N→O and C‒NH2 groups — a highly efficient amphoteric structure for energetic materials resulting from tautomerization proved by crystal engineering","CrystEngComm","2021","23","7","1544","1549","10.1039/D0CE01427C","","","0.71073","MoKα","","0.1915","0.0627","","","0.1183","0.1575","","","","","","0.767","","","","has coordinates","262590","2021-03-05","01:49:15",""
"7242144","9.742","0.0019","16.082","0.003","11.405","0.002","90","","115.05","0.03","90","","1618.8","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gorginpour, Forough; Zali-Boeini, Hassan; Rudbari, Hadi Amiri","A quinoxaline-based porous organic polymer containing copper nanoparticles CuNPs@Q-POP as a robust nanocatalyst toward C‒N coupling reaction","RSC Advances","2021","11","6","3655","3665","10.1039/D0RA10741G","","","0.71073","MoKα","","0.1269","0.0721","","","0.1622","0.1852","","","","","","0.827","","","","has coordinates","261079","2021-01-20","05:41:40",""
"7242145","11.4037","0.0005","13.7428","0.0007","13.9665","0.0008","63.686","0.004","79.005","0.006","69.227","0.005","1832.99","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","dimethylammonium paratungstate B.10 hydrate","decakis(dimethylammonium) dihydrododecatungstate(10-).10 hydrate","","- C20 H64 N10 O52 W12 -","- C20 H64 N10 O52 W12 -","- C20 H64 N10 O52 W12 -","1","0.5","","Lendvay, György; Majzik, Eszter; Bereczki, Laura; Domján, Attila; Trif, László; Sajó, István E.; Franguelli, Fernanda Paiva; Farkas, Attila; Klébert, Szilvia; Bombicz, Petra; Németh, Csaba; Szilágyi, Imre Miklós; Kótai, László","(Me2NH2)10[H2-Dodecatungstate] polymorphs: dodecatungstate cages embedded in a variable dimethylammonium cation + water of crystallization matrix","RSC Advances","2021","11","6","3713","3724","10.1039/D0RA09997J","","","0.71075","MoKα","","0.0832","0.0813","","","0.1724","0.1732","","","","","","1.392","","","","has coordinates","261080","2021-01-20","05:42:22",""
"7242146","13.5917","0.0003","16.6057","0.0004","18.6449","0.0004","90.344","0.006","105.743","0.007","112.051","0.008","3726.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","dimethylammonium paratungstate B.11 hydrate","decakis(dimethylammonium) dihydrododecatungstate(10-).11 hydrate","","- C20 H80 N10 O53 W12 -","- C20 H80 N10 O53 W12 -","- C40 H160 N20 O106 W24 -","2","1","","Lendvay, György; Majzik, Eszter; Bereczki, Laura; Domján, Attila; Trif, László; Sajó, István E.; Franguelli, Fernanda Paiva; Farkas, Attila; Klébert, Szilvia; Bombicz, Petra; Németh, Csaba; Szilágyi, Imre Miklós; Kótai, László","(Me2NH2)10[H2-Dodecatungstate] polymorphs: dodecatungstate cages embedded in a variable dimethylammonium cation + water of crystallization matrix","RSC Advances","2021","11","6","3713","3724","10.1039/D0RA09997J","","","0.71075","MoKα","","0.1038","0.0687","","","0.1387","0.1505","","","","","","1.142","","","","has coordinates","261080","2021-01-20","05:42:23",""
"7242147","14.7682","0.0003","24.7368","0.0004","21.1511","0.0004","90","","108.924","0.008","90","","7309.2","0.4","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dimethylammonium paratungstate B.10 hydrate","decakis(dimethylammonium) dihydrododecatungstate(10-).10 hydrate","","- C20 H80 N10 O52 W12 -","- C20 H80 N10 O52 W12 -","- C80 H320 N40 O208 W48 -","4","0.5","","Lendvay, György; Majzik, Eszter; Bereczki, Laura; Domján, Attila; Trif, László; Sajó, István E.; Franguelli, Fernanda Paiva; Farkas, Attila; Klébert, Szilvia; Bombicz, Petra; Németh, Csaba; Szilágyi, Imre Miklós; Kótai, László","(Me2NH2)10[H2-Dodecatungstate] polymorphs: dodecatungstate cages embedded in a variable dimethylammonium cation + water of crystallization matrix","RSC Advances","2021","11","6","3713","3724","10.1039/D0RA09997J","","","0.71073","MoKα","","0.0825","0.0796","","","0.1446","0.1455","","","","","","1.498","","","","has coordinates","261080","2021-01-20","05:42:23",""
"7242148","11.2204","0.0006","13.21","0.0006","14.2241","0.0007","70.006","0.002","82.42","0.003","76.769","0.002","1925.33","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H86 Cl4 N4 O2 S2 -","- C92 H86 Cl4 N4 O2 S2 -","- C92 H86 Cl4 N4 O2 S2 -","1","0.5","","Ren, Lu; Liang, Lusheng; Zhang, Zhuangzhuang; Zhang, Zilong; Xiong, Qiu; Zhao, Nan; Yu, Yaming; Scopelliti, Rosario; Gao, Peng","The roles of fused-ring organic semiconductor treatment on SnO2 in enhancing perovskite solar cell performance","RSC Advances","2021","11","7","3792","3800","10.1039/D1RA00090J","","","0.71073","MoKα","","0.1458","0.0631","","","0.1457","0.2026","","","","","","1.035","","","","has coordinates,has disorder","261081","2021-01-20","05:43:10",""
"7242149","12.4138","0.0009","13.9061","0.0011","14.3368","0.0011","65.911","0.003","66.25","0.002","69.431","0.003","2015.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H43 Cl0.5 N3 O2 S4 -","- C42 H49 Cl2 N2 O2 S2 -","- C84 H98 Cl4 N4 O4 S4 -","2","1","","Ren, Lu; Liang, Lusheng; Zhang, Zhuangzhuang; Zhang, Zilong; Xiong, Qiu; Zhao, Nan; Yu, Yaming; Scopelliti, Rosario; Gao, Peng","The roles of fused-ring organic semiconductor treatment on SnO2 in enhancing perovskite solar cell performance","RSC Advances","2021","11","7","3792","3800","10.1039/D1RA00090J","","","0.71073","MoKα","","0.0807","0.0584","","","0.1524","0.1775","","","","","","1.05","","","","has coordinates","261081","2021-01-20","05:43:13",""
"7242150","11.9342","0.0006","14.6616","0.0007","16.6289","0.0008","113.683","0.002","90.763","0.002","113.819","0.002","2383.5","0.2","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 F6 N6 Ni -","- C56 H50 F6 N6 Ni -","- C112 H100 F12 N12 Ni2 -","2","1","","Braun, Jason D.; Lozada, Issiah B.; Shepit, Michael; van Lierop, Johan; Herbert, David E.","Pseudo-octahedral nickel(ii) complexes of strongly absorbing benzannulated pincer-type amido ligands: ligand-based redox and non-Aufbau electronic behaviour","RSC Advances","2021","11","6","3547","3555","10.1039/D0RA10761A","","","0.71073","MoKα","","0.0715","0.0511","","","0.1088","0.1191","","","","","","1.046","","","","has coordinates,has disorder","261082","2021-01-20","05:44:49",""
"7242151","20.2979","0.0009","20.2979","0.0009","39.0458","0.0018","90","","90","","90","","16087.1","1.3","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H26 Cl2 N6 Ni -","- C44 H26 Cl2 N6 Ni -","- C704 H416 Cl32 N96 Ni16 -","16","1","","Braun, Jason D.; Lozada, Issiah B.; Shepit, Michael; van Lierop, Johan; Herbert, David E.","Pseudo-octahedral nickel(ii) complexes of strongly absorbing benzannulated pincer-type amido ligands: ligand-based redox and non-Aufbau electronic behaviour","RSC Advances","2021","11","6","3547","3555","10.1039/D0RA10761A","","","0.71073","MoKα","","0.0791","0.0592","","","0.1284","0.139","","","","","","1.04","","","","has coordinates","261082","2021-01-20","05:44:50",""
"7242152","12.0171","0.0003","21.531","0.0007","20.7417","0.0005","90","","92.559","0.001","90","","5361.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Fe3 O22 -","- C50 H52 Fe3 O22 -","- C200 H208 Fe12 O88 -","4","0.5","","Khan, M. Shahnawaz; Khalid, Mohd; Shahid, M.","Engineered Fe3 triangle for the rapid and selective removal of aromatic cationic pollutants: complexity is not a necessity","RSC Advances","2021","11","5","2630","2642","10.1039/D0RA09586A","","","0.71073","MoKα","","0.0371","0.0316","","","0.0749","0.0792","","","","","","1.0608","","","","has coordinates","261097","2021-01-21","04:59:45",""
"7242153","7.5639","0.0004","12.0236","0.0005","19.0129","0.0009","99.165","0.003","93.603","0.003","91.597","0.003","1702.43","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H34 F6 N5 O2 P Ru -","- C33 H26 F6 N5 P Ru -","- C66 H52 F12 N10 P2 Ru2 -","2","1","","Wu, Yuhao; Su, Xianlong; Xie, Chaoyi; Hu, Rongrong; Li, Xianghong; Zhao, Qiang; Zheng, Guoli; Yan, Junkun","First cycloruthenation of 2-alkenylpyridines: synthesis, characterization and properties","RSC Advances","2021","11","7","4138","4146","10.1039/D0RA09833G","","","0.71073","MoKα","","0.0889","0.0671","","","0.1864","0.2026","","","","","","1.09","","","","has coordinates","261098","2021-01-21","05:00:16",""
"7242154","26.639","0.003","10.7495","0.0011","16.3176","0.0016","90","","98.1189","0.0016","90","","4625.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 O4 Sn -","- C22 H38 O4 Sn -","- C176 H304 O32 Sn8 -","8","2","","Rashid, Faisal; Uddin, Noor; Ali, Saqib; Haider, Ali; Tirmizi, Syed Ahmad; Diaconescu, Paula L.; Iqbal, Jamshed","New triorganotin(iv) compounds with aromatic carboxylate ligands: synthesis and evaluation of the pro-apoptotic mechanism","RSC Advances","2021","11","8","4499","4514","10.1039/D0RA06695H","","","0.71073","MoKα","","0.0759","0.0574","","","0.1271","0.1396","","","","","","1.214","","","","has coordinates","261144","2021-01-22","05:24:07",""
"7242155","11.7035","0.0003","11.3841","0.0003","25.252","0.0007","90","","94.194","0.001","90","","3355.41","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 N10 Ni2 O6 -","- C27 H44 N10 Ni2 O6 -","- C108 H176 N40 Ni8 O24 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0519","0.0405","","","0.1046","0.1095","","","","","","1.104","","","","has coordinates,has disorder","263727","2021-04-05","14:34:50",""
"7242156","11.5492","0.0004","12.424","0.0003","21.6851","0.0006","90","","90","","90","","3111.54","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N10 Ni2 O5 -","- C26 H40 N10 Ni2 O5 -","- C104 H160 N40 Ni8 O20 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0275","0.026","","","0.0555","0.056","","","","","","1.063","","","","has coordinates","263727","2021-04-05","14:34:50",""
"7242157","10.8408","0.0011","11.1512","0.0011","11.3568","0.0011","84.292","0.005","75.957","0.005","69.533","0.005","1247.6","0.2","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0889","0.055","","","0.1465","0.1637","","","","","","1.073","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242158","9.93","0.007","11.296","0.008","11.859","0.009","87.742","0.01","83.324","0.009","65.023","0.009","1197.6","1.5","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole, 1,3-bis(4'-pyridyl)-2,4-bis(phenyl)cyclobutane hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.2288","0.1069","","","0.2422","0.2896","","","","","","0.937","","","","has coordinates","262571","2021-03-05","01:46:00",""
"7242159","10.6906","0.0011","11.0302","0.0011","11.085","0.0011","84.721","0.005","76.416","0.005","70.095","0.002","1194.6","0.2","125","2","125.15","","","","","","","","","5","P -1","-P 1","2","","trans-4-stilbazole hexafluorophosphate","","- C26 H23 F6 N2 P -","- C26 H23 F6 N2 P -","- C52 H46 F12 N4 P2 -","2","1","","Li, Changan; Campillo-Alvarado, Gonzalo; Swenson, Dale C.; MacGillivray, Leonard R.","Photoreactive salt cocrystal: N±-H⋯N hydrogen bond and cation‒π interactions support a cascade-like photodimerization of a 4-stilbazole","CrystEngComm","2021","23","5","1071","1074","10.1039/D0CE01885F","","","0.71073","MoKα","","0.0704","0.0488","","","0.1089","0.123","","","","","","1.021","","","","has coordinates,has disorder","262571","2021-03-05","01:46:00",""
"7242160","8.0382","0.0003","12.2095","0.0004","14.6675","0.0006","101.51","0.003","90.312","0.003","97.846","0.003","1396.56","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 Dy N2 O5 -","- C28 H24 Cl3 Dy N2 O5 -","- C56 H48 Cl6 Dy2 N4 O10 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","x-ray","0.71073","MoKα","","0.0628","0.0429","","","0.0811","0.0872","","","","","","1.033","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242161","8.1546","0.0005","12.2361","0.0007","14.7108","0.0008","101.392","0.002","90.257","0.002","98.318","0.002","1422.97","0.14","299","2","299.12","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl3 N2 O5 Tb -","- C28 H24 Cl3 N2 O5 Tb -","- C56 H48 Cl6 N4 O10 Tb2 -","2","1","","Wang, Ruirui; Yao, Binling; Bai, Feifei; Wang, Wen; Li, Licun; Ma, Yue; Wang, Qinglun; Zhao, Bin; Zhang, Yuanzhu","A seven-coordinated DyIII single-ion magnet with C2v symmetry constructed by a multidentate Schiff-base ligand","CrystEngComm","2021","23","8","1718","1722","10.1039/D0CE01826K","","","0.71073","MoKα","","0.0479","0.032","","","0.0656","0.0709","","","","","","1.035","","","","has coordinates","262557","2021-03-05","01:43:47",""
"7242162","7.6162","0.0002","9.0782","0.0002","33.1663","0.0009","97.562","0.002","91.13","0.002","93.405","0.002","2268.33","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","1,2-bis(2-methyl-5-(4-undecyloxyphenyl)-3-thienyl)perfluorocyclopentene","","- C49 H62 F6 O2 S2 -","- C49 H62 F6 O2 S2 -","- C98 H124 F12 O4 S4 -","2","1","","Higashiguchi, Takuya; Kitagawa, Daichi; Kobatake, Seiya","Anisotropic bending and twisting behaviour of a twin crystal composed of a diarylethene","CrystEngComm","2021","23","34","5795","5800","10.1039/D0CE01705A","","","0.71075","MoKα","","0.0667","0.0578","","","0.1514","0.1582","","","","","","1.13","","","","has coordinates","268692","2021-09-06","10:33:11",""
"7242163","9.448","0.007","11.423","0.009","30.49","0.02","90","","90","","90","","3291","4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C120 H176 N16 O32 -","8","1","","Morita, Shunya; Yoshimura, Tomoyuki; Matsuo, Jun-ichi","Catalytic intermolecular aldol reactions of transient amide enolates in domino Michael/aldol reactions of nitroalkanes, acrylamides, and aldehydes","Green Chemistry","2021","23","3","1160","1164","10.1039/D0GC04111D","","","0.71075","MoKα","","0.2338","0.1122","","","0.233","0.2951","","","","","","1.107","","","","has coordinates","262665","2021-03-05","02:12:38",""
"7242164","7.669","0.0002","9.8456","0.0004","15.919","0.0006","88.165","0.003","87.926","0.003","73.153","0.003","1149.35","0.07","100.01","0.1","100.01","0.1","","","","","","","Rostov-on-Don, Russia","5","P -1","-P 1","2","5,7-di(tert-butyl)-2-(4,7-dichloro-8-methyl-2-quinolyl)-4-nitro-1,3-tropolone","5,7-di(tert-butyl)-2-(4,7-dichloro-8-methyl-2-quinolyl)-4-nitro-1,3-tropolone","","- C25 H26 Cl2 N2 O4 -","- C25 H26 Cl2 N2 O4 -","- C50 H52 Cl4 N4 O8 -","2","1","","Gusakov, Evgeniy A.; Topchu, Iuliia A.; Mazitova, Aleksandra M.; Dorogan, Igor V.; Bulatov, Emil R.; Serebriiskii, Ilya G.; Abramova, Zinaida I.; Tupaeva, Inna O.; Demidov, Oleg P.; Toan, Duong Ngoc; Lam, Tran Dai; Bang, Duong Nghia; Boumber, Yanis A.; Sayapin, Yurii A.; Minkin, Vladimir I.","Design, synthesis and biological evaluation of 2-quinolyl-1,3-tropolone derivatives as new anti-cancer agents","RSC Advances","2021","11","8","4555","4571","10.1039/D0RA10610K","","x-ray","1.54184","CuKα","","0.0331","0.0325","","","0.0851","0.0855","","","","","","1.064","","","","has coordinates","261183","2021-01-24","05:14:48",""
"7242165","12.1101","0.0015","15.0255","0.0018","15.7251","0.0019","75.136","0.001","67.643","0.001","87.203","0.002","2553.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H55 Cl2 Cu2 N9 O4 -","- C58 H51 Cl2 Cu2 N9 O4 -","- C116 H102 Cl4 Cu4 N18 O8 -","2","1","","Velasco, Lucia; Llanos, Leonel; Levin, Pedro; Vega, Andres; Yu, Jin; Zhang, Xiaoyi; Lemus, Luis A.; Aravena, Daniel; Moonshiram, Dooshaye","Structure and Excited-State Dynamics of Dimeric Copper(I) photosensitizers Investigated by Time-resolved X-ray and Optical Transient Absorption Spectroscopy","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06080A","","","0.71073","MoKα","","0.0682","0.0498","","","0.141","0.1589","","","","","","1.026","","","","has coordinates","261212","2021-01-26","04:39:09",""
"7242166","16.369","0.003","17.804","0.003","25.19","0.007","90","","90","","90","","7341","3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H52 Ba3 N2 O16 -","- C64 H52 Ba3 N2 O16 -","- C256 H208 Ba12 N8 O64 -","4","1","","Wang, Meng; Liu, Jiao; Jin, Jing; Wu, Dan; Yang, Guoping; Zhang, Wen-Yan; Wang, Yao-Yu","A new 3D luminescent Ba-organic framework with high open metal sites: CO2 fixation, luminescence sensing, and dye sorption","CrystEngComm","2021","23","3","663","670","10.1039/D0CE01604G","","","0.71073","MoKα","","0.0356","0.0341","","","0.1067","0.1082","","","","","","1.077","","","","has coordinates","261246","2021-01-27","02:40:29",""
"7242167","8.632","0.007","19.326","0.019","12.434","0.008","90","","97.75","0.03","90","","2055","3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C62 H90 Co2 N10 O8 P4 S8 -","2","1","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1152","0.068","","","0.1507","0.1737","","","","","","0.958","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242168","24.5759","0.0011","39.5254","0.0018","7.5072","0.0003","90","","90","","90","","7292.3","0.5","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C240 H352 Co8 N48 O32 P16 S32 -","8","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0199","0.0197","","","0.0545","0.0546","","","","","","1.113","","","","has coordinates","263719","2021-04-05","14:33:10",""
"7242169","23.624","0.005","9.1342","0.0019","18.34","0.004","90","","102.254","0.008","90","","3867.4","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H45 Co N5 O4 P2 S4 -","- C31 H45 Co N5 O4 P2 S4 -","- C124 H180 Co4 N20 O16 P8 S16 -","4","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.1191","0.061","","","0.1456","0.177","","","","","","1.035","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242170","12.6723","0.0006","19.8452","0.0009","7.445","0.0004","90","","90","","90","","1872.3","0.16","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C30 H44 Co N6 O4 P2 S4 -","- C30 H44 Co N6 O4 P2 S4 -","- C60 H88 Co2 N12 O8 P4 S8 -","2","0.5","","Kataeva, Olga; Metlushka, Kirill; Ivshin, Kamil; Yamaleeva, Zilya; Zinnatullin, Ruzal; Nikitina, Kristina; Badeeva, Elena; Khrizanforova, Vera; Budnikova, Yulia; Naumann, Marco; Wellm, Christoph; Alfonsov, Alexey; Kataev, Vladislav; Büchner, Bernd; Knupfer, Martin","Supramolecular chirality in the crystals of mononuclear and polymeric cobalt(ii) complexes with enantiopure and racemic N-thiophosphorylated thioureas","CrystEngComm","2021","23","10","2081","2090","10.1039/D0CE01871F","","","0.71073","MoKα","","0.0227","0.0221","","","0.0587","0.0591","","","","","","1.074","","","","has coordinates,has disorder","263719","2021-04-05","14:33:10",""
"7242171","27.2403","0.001","27.2403","0.001","31.01","0.002","90","","90","","120","","19927.7","1.6","296","2","296.15","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30 H24 N6 Ru Se9 Sn4 -","- C30 H24 N6 Ru Se9 Sn4 -","- C540 H432 N108 Ru18 Se162 Sn72 -","18","1","","Zhang, Tao; Hu, Yue-Qiao; Li, Qian-Wen; Chen, Wei-Peng; Zheng, Yan-Zhen","Coupling an organic photosensitizer and an inorganic framework into a single-phase material that shows visible-light photocurrent response","CrystEngComm","2021","23","9","1881","1884","10.1039/D0CE01685C","","","0.71073","MoKα","","0.0317","0.0293","","","0.0711","0.0726","","","","","","1.031","","","","has coordinates","263723","2021-04-05","14:34:11",""
"7242172","8.677","0.002","9.036","0.004","10.283","0.004","77.57","0.03","78.49","0.03","78.96","0.019","762.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H13 N13 O6 -","- C9 H13 N13 O6 -","- C18 H26 N26 O12 -","2","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","synchrotron","","0.0448","0.0391","","","0.099","0.1044","","","","","","1.0697","","","","has coordinates","263724","2021-04-05","14:34:19",""
"7242173","21.16","0.05","13.182","0.009","11.89","0.02","90","","105.45","0.18","90","","3197","10","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 N30 O11.5 -","- C16 H29 N30 O11.5 -","- C64 H116 N120 O46 -","4","1","","Cheng, Yanfei; Chen, Xiang; Yang, Na; Zhang, Yazhou; Ma, Haixia; Guo, Zhaoqi","Sandwich-like low-sensitive nitroamine explosives stabilized by hydrogen bonds and π‒π stacking interactions","CrystEngComm","2021","23","9","1953","1960","10.1039/D0CE01882A","","","1.34138","GaKα","","0.1039","0.0769","","","0.2011","0.2248","","","","","","1.043","","","","has coordinates","263724","2021-04-05","14:34:28",""
"7242174","8.7512","0.0006","9.7054","0.0006","12.4718","0.0009","67.684","0.006","74.454","0.006","65.499","0.006","883.98","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","- C32 H32 Cu2 N4 O20 -","1","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0431","0.0333","","","0.0768","0.0824","","","","","","1.056","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242175","12.3838","0.0006","7.2105","0.0003","20.8942","0.0009","90","","105.847","0.005","90","","1794.81","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O10 Zn -","- C16 H16 N2 O10 Zn -","- C64 H64 N8 O40 Zn4 -","4","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","","","0.71073","MoKα","","0.0276","0.025","","","0.063","0.0645","","","","","","1.11","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242176","9.3282","0.0005","9.0226","0.0005","9.2963","0.0005","90","","95.931","0.006","90","","778.23","0.07","298","2","298","","100","","100","","","","UFMG","5","P 1 21/c 1","-P 2ybc","14","Cufenox","","","- C16 H12 Cu N2 O8 -","- C16 H12 Cu N2 O8 -","- C32 H24 Cu2 N4 O16 -","2","0.5","","da Cunha, Tamyris T.; da Silveira, Cleverton O. C.; Barbosa, Vitor M. M.; Oliveira, Willian X. C.; da Silva Júnior, Eufrânio N.; Ferreira, Fabio F.; Pedroso, Emerson F.; Pereira, Cynthia L. M.","Ferromagnetic coupling in a dicopper(ii) oxamate complex bridged by carboxylate groups","CrystEngComm","2021","23","9","1885","1897","10.1039/D0CE01742F","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01457","2.674","","","","","","","has coordinates","263730","2021-04-05","14:35:21",""
"7242177","17.8273","0.0006","17.8273","0.0006","17.8273","0.0006","90","","90","","90","","5665.7","0.3","100","2","100","2","","","","","","","","5","P 43 3 2","P 4acd 2ab 3","212","","","","- C2 H12 N6 O4 S -","- C2 H12 N6 O4 S -","- C40 H240 N120 O80 S20 -","20","0.833333","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0384","0.0371","","","0.1163","0.1178","","","","","","1.199","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242178","7.1728","0.0004","11.1002","0.0007","19.361","0.0012","90","","100.265","0.002","90","","1516.84","0.16","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O10 S2 -","- C22 H38 N8 O10 S2 -","- C44 H76 N16 O20 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.039","0.0336","","","0.0762","0.0785","","","","","","1.025","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242179","10.8776","0.0004","10.8776","0.0004","20.4184","0.0007","90","","90","","90","","2415.95","0.15","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C9 H34 N10 O8 S2 -","- C9 H34 N10 O8 S2 -","- C36 H136 N40 O32 S8 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0268","0.0254","","","0.062","0.0628","","","","","","1.09","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242180","26.0251","0.0008","22.0693","0.0006","12.5545","0.0004","90","","90","","90","","7210.7","0.4","140","2","140","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H87 N34 O26.5 S6 -","- C21 H87 N34 O26.5 S6 -","- C84 H348 N136 O106 S24 -","4","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0642","0.0482","","","0.1309","0.142","","","","","","1.045","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242181","12.3826","0.0009","11.1225","0.0007","7.7723","0.0005","90","","102.385","0.002","90","","1045.53","0.12","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H26 N10 O9 S2 -","- C8 H26 N10 O9 S2 -","- C16 H52 N20 O18 S4 -","2","0.5","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0223","0.0216","","","0.055","0.0554","","","","","","1.076","","","","has coordinates,has disorder","262586","2021-03-05","01:48:42",""
"7242182","7.4737","0.0006","11.8491","0.0011","13.0179","0.0013","90","","93.723","0.003","90","","1150.39","0.18","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H28 N10 O9 S2 -","- C9 H28 N10 O9 S2 -","- C18 H56 N20 O18 S4 -","2","1","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.034","0.0297","","","0.068","0.0701","","","","","","1.056","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242183","10.0469","0.001","10.0469","0.001","17.318","0.0017","90","","90","","120","","1513.9","0.3","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C8 H24 N10 O8 S2 -","- C7.9998 H24 N10.0002 O8 S2 -","- C23.9994 H72 N30.0006 O24 S6 -","3","0.166667","","Brummel, Beau R.; Lee, Kinsey G.; Kolis, Joseph W.; Whitehead, Daniel C.; McMillen, Colin D.","Guanidinium sulfates as directors of noncentrosymmetric structures","CrystEngComm","2021","23","7","1643","1656","10.1039/D0CE01817A","","","0.71073","MoKα","","0.0265","0.0257","","","0.0629","0.0632","","","","","","1.091","","","","has coordinates","262586","2021-03-05","01:48:42",""
"7242191","11.1974","0.0003","12.7343","0.0003","12.9086","0.0003","64.468","0.001","73.24","0.001","64.474","0.001","1486.83","0.07","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H25 N7 O6 S Zn -","- C30 H25 N7 O6 S Zn -","- C60 H50 N14 O12 S2 Zn2 -","2","1","","Yao, Shu-Li; Xiong, Yu-Chen; Tian, Xue-Mei; Liu, Sui-Jun; Xu, Hui; Zheng, Teng-Fei; Chen, Jing-Lin; Wen, He-Rui","A multifunctional benzothiadiazole-based fluorescence sensor for Al3+, Cr3+ and Fe3+","CrystEngComm","2021","23","9","1898","1905","10.1039/D1CE00060H","","","0.71073","MoKα","","0.0553","0.0405","","","0.0945","0.1034","","","","","","1.016","","","","has coordinates","263722","2021-04-05","14:34:03",""
"7242192","11.6686","0.0018","4.5292","0.0007","25.933","0.004","90","","102.908","0.005","90","","1335.9","0.4","161","2","161","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1034","0.093","","","0.2381","0.243","","","","","","1.249","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242193","14.522","0.003","12.084","0.003","8.162","0.002","90","","90","","90","","1432.3","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H6 F4 I N O -","- C15 H6 F4 I N O -","- C60 H24 F16 I4 N4 O4 -","4","1","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.0477","0.0444","","","0.108","0.1111","","","","","","1.087","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242194","14.293","0.005","7.17","0.003","23.932","0.008","90","","92.238","0.011","90","","2450.7","1.6","101","2","101","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H6 F5 N O -","- C15 H6 F5 N O -","- C120 H48 F40 N8 O8 -","8","2","","Jamadar, Akshoy; Karan, Chandan Kumar; Biswas, Subhendu; Das, Anindita","Structural influence on stimuli-responsive halogen-bonded luminescent supramolecular polymers from heteroditopic isomers","CrystEngComm","2021","23","8","1695","1699","10.1039/D1CE00101A","","","0.71073","MoKα","","0.1561","0.0845","","","0.1691","0.1946","","","","","","1.089","","","","has coordinates","262559","2021-03-05","01:44:02",""
"7242195","17.672","0.002","18.819","0.003","26.029","0.004","80.998","0.002","72.959","0.002","65.534","0.002","7527.1","1.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H198 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","- C84 H82 Mn6 N28 Na2 O276 P10 W60 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0749","0.0459","","","0.0918","0.1051","","","","","","1.006","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242196","21.182","0.004","16.487","0.003","28.78","0.004","90","","130.213","0.009","90","","7675","2","296","2","296","2","","","","","","","","9","P 1 c 1","P -2yc","7","","","","- C60 H104 Cl0 Cu5 N20 Na O134 P5 W30 -","- C60 H52 Cu5 N20 Na O134 P5 W30 -","- C120 H104 Cu10 N40 Na2 O268 P10 W60 -","2","1","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0654","0.0552","","","0.1295","0.1353","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242197","29.418","0.005","21.615","0.004","25.107","0.004","90","","99.316","0.003","90","","15754","5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 N20 Na O129 P5 W30 Zn3 -","- C60 H56 N20 Na O129 P5 W30 Zn3 -","- C240 H224 N80 Na4 O516 P20 W120 Zn12 -","4","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0903","0.054","","","0.1081","0.1217","","","","","","1.042","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242198","16.234","0.006","16.833","0.006","17.107","0.007","67.181","0.006","64.121","0.006","82.689","0.007","3872","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H88 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","- C48 H46 Co2 N16 Na O129 P5 W30 -","1","0.5","","Zhu, HaoTian; Tang, WenSi; Ma, YuanYuan; Wang, YongHui; Tan, HuaQiao; Li, YangGuang","Preyssler-type polyoxometalate-based crystalline materials for the electrochemical detection of H2O2","CrystEngComm","2021","23","10","2071","2080","10.1039/D1CE00059D","","","0.71073","MoKα","","0.0725","0.0447","","","0.1","0.1146","","","","","","1.013","","","","has coordinates,has disorder","263721","2021-04-05","14:33:36",""
"7242199","35.3301","0.0011","10.8822","0.0003","7.5873","0.0002","90","","90","","90","","2917.08","0.14","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C112 H128 N48 O32 -","8","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.0743","0.0467","","","0.0941","0.1078","","","","","","1.077","","","","has coordinates","263734","2021-04-05","14:36:29",""
"7242200","7.0401","0.0002","21.032","0.0008","12.0394","0.0005","90","","90.15","0.012","90","","1782.64","0.11","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N7 O4 -","- C17 H21 N7 O4 -","- C68 H84 N28 O16 -","4","1","","Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song","Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property","CrystEngComm","2021","23","11","2235","2248","10.1039/D0CE01647K","","","0.71073","MoKα","","0.1197","0.0578","","","0.1155","0.1435","","","","","","1.047","","","","has coordinates,has disorder","263734","2021-04-05","14:36:29",""
"7242201","14.7118","0.0006","9.3818","0.0004","14.7793","0.0007","90","","91.266","0.002","90","","2039.39","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 Cl N O2 Ru -","- C21 H32 Cl N O2 Ru -","- C84 H128 Cl4 N4 O8 Ru4 -","4","1","","Phearman, Alexander S.; Moore, Jewelianna M.; Bhagwandin, Dayanni D.; Goldberg, Jonathan M.; Heinekey, D. Michael; Goldberg, Karen I.","(Hexamethylbenzene)Ru catalysts for the Aldehyde-Water Shift reaction","Green Chemistry","2021","23","4","1609","1615","10.1039/D0GC03809A","","","0.71073","MoKα","","0.0168","0.0161","","","0.0418","0.0423","","","","","","1.063","","","","has coordinates","262663","2021-03-05","02:12:24",""
"7242202","6.5462","0.0006","27.28","0.002","14.4106","0.0012","90","","90.549","0.003","90","","2573.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 B2 O4 -","- C25 H36 B2 O4 -","- C100 H144 B8 O16 -","4","1","","Zhang, Yahui; Zhao, Xiangyu; Bi, Ce; Lu, Wenqi; Song, Mengyuan; Wang, Dongdong; Qing, Guangyan","Selective electrocatalytic hydroboration of aryl alkenes","Green Chemistry","2021","23","4","1691","1699","10.1039/D0GC03890C","","","0.71073","MoKα","","0.1952","0.1499","","","0.3733","0.3965","","","","","","1.001","","","","has coordinates,has disorder","262664","2021-03-05","02:12:30",""
"7242203","12.2477","0.0007","14.0636","0.0008","19.8182","0.0011","73.903","0.004","83.442","0.004","82.315","0.003","3239.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 F18 N7 O6 P5 Rh -","- C52 H51 F18 N7 O6 P5 Rh -","- C104 H102 F36 N14 O12 P10 Rh2 -","2","1","","Freimann, Sven A.; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles","RSC Advances","2021","11","10","5537","5547","10.1039/D0RA09319J","","x-ray","1.54178","CuKα","","0.1189","0.1061","","","0.2968","0.3092","","","","","","1.071","","","","has coordinates,has disorder","261334","2021-01-31","05:07:51",""
"7242204","12.5277","0.0007","14.356","0.0008","15.7458","0.0009","91.845","0.002","110.58","0.002","110.494","0.002","2444.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41.25 N10.25 O22.75 P2 Rh -","- C42 H41.25 N10.25 O22.75 P2 Rh -","- C84 H82.5 N20.5 O45.5 P4 Rh2 -","2","1","","Freimann, Sven A.; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles","RSC Advances","2021","11","10","5537","5547","10.1039/D0RA09319J","","x-ray","1.54178","CuKα","","0.049","0.0486","","","0.1365","0.1371","","","","","","1.085","","","","has coordinates,has disorder","261334","2021-01-31","05:07:51",""
"7242205","9.45","0.008","10.573","0.01","28.94","0.02","90","","90","","90","","2892","4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TEA2VBH","Bis-tetraethylammonium vanadium(iv)bis-hydroxyiminodiacetate","","- C24 H50 N4 O11 V -","- C24 H50 N4 O11 V -","- C96 H200 N16 O44 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0368","0.0323","","","0.0722","0.074","","","","","","1.054","","","","has coordinates","261335","2021-01-31","05:08:51",""
"7242206","9.5136","0.0008","11.4193","0.001","13.5999","0.0011","67.468","0.002","79.634","0.002","67.087","0.002","1256.19","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Tetrapropylammonium vanadium(v)bis-hydroxyiminodiacetate","","- C20 H36 N3 O10 V -","- C20 H36 N3 O10 V -","- C40 H72 N6 O20 V2 -","2","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0525","0.0428","","","0.0973","0.1059","","","","","","1.055","","","","has coordinates","261335","2021-01-31","05:08:52",""
"7242207","14.6589","0.0011","9.2683","0.0006","24.4521","0.0016","90","","91.334","0.002","90","","3321.2","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-n-butylammonium vanadium(v)bis-hydroxyiminodiacetate","","- C26 H47 N4 O10 V -","- C26 H47 N4 O10 V -","- C104 H188 N16 O40 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0597","0.048","","","0.1223","0.1342","","","","","","1.096","","","","has coordinates","261335","2021-01-31","05:08:52",""
"7242208","12.0215","0.0012","17.5162","0.0017","22.902","0.002","90","","95.183","0.003","90","","4802.8","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-tetra-n-butylammonium vanadium(iv)bis-hydroxyiminodiacetate","","- C40 H82 N4 O11 V -","- C40 H82 N4 O11 V -","- C160 H328 N16 O44 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.1026","0.0797","","","0.212","0.2386","","","","","","1.07","","","","has coordinates,has disorder","261335","2021-01-31","05:08:52",""
"7242209","9.6704","0.0008","18.4228","0.0016","6.7919","0.0006","90","","100.184","0.002","90","","1190.95","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 Nd2 O14 -","- C22 H14 N6 Nd2 O14 -","- C44 H28 N12 Nd4 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0308","0.0242","","","0.056","0.0585","","","","","","1.021","","","","has coordinates","263735","2021-04-05","14:36:35",""
"7242210","9.5741","0.0008","18.3271","0.0015","6.7762","0.0006","90","","100.057","0.001","90","","1170.72","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Eu2 N6 O14 -","- C22 H14 Eu2 N6 O14 -","- C44 H28 Eu4 N12 O28 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.022","0.0203","","","0.0454","0.0461","","","","","","1.085","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242211","9.6045","0.001","18.37","0.002","6.7842","0.0007","90","","100.076","0.0018","90","","1178.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N6 O14 Sm2 -","- C22 H14 N6 O14 Sm2 -","- C44 H28 N12 O28 Sm4 -","2","0.5","","Yuan, Fei; Ma, Hai-Xia; Yuan, Chun-Mei; Zhou, Chun-Sheng; Hu, Huai-Ming; Kumar, Abhinav; Muddassir, Mohd","Syntheses of a series of lanthanide metal‒organic frameworks for efficient UV-light-driven dye degradation: experiment and simulation","CrystEngComm","2021","23","12","2404","2413","10.1039/D0CE01245A","","","0.71073","MoKα","","0.0363","0.0266","","","0.0613","0.0655","","","","","","0.975","","","","has coordinates","263735","2021-04-05","14:36:36",""
"7242212","16.154","0.0015","7.1493","0.0007","23.597","0.002","90","","103.89","0.003","90","","2645.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H50 Br4 N8 O5 -","- C52.0064 H50.016 Br4 N8 O5.0016 -","- C104.013 H100.032 Br8 N16 O10.0032 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0489","0.0461","","","0.1361","0.1412","","","","","","1.083","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242213","7.6814","0.0017","14.159","0.003","22.547","0.005","90","","91.184","0.006","90","","2451.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 Br4 N8 O4 -","- C56 H50 Br4 N8 O4 -","- C112 H100 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0311","0.0297","","","0.0849","0.0859","","","","","","1.013","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242214","7.6473","0.0012","14.096","0.002","22.535","0.004","90","","91.643","0.004","90","","2428.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Br4 N8 O4 -","- C48 H40 Br4 N8 O4 -","- C96 H80 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0475","0.041","","","0.1258","0.144","","","","","","1.284","","","","has coordinates","262588","2021-03-05","01:48:57",""
"7242215","7.6615","0.0006","14.1104","0.0011","22.4415","0.0017","90","","91.574","0.002","90","","2425.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Br4 N8 O4 -","- C56 H48 Br4 N8 O4 -","- C112 H96 Br8 N16 O8 -","2","0.5","","Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Guest-dependent single-crystal-to-single-crystal transformations in porous adamantane-bearing macrocycles","CrystEngComm","2021","23","7","1539","1543","10.1039/D0CE01782E","","","1.54178","CuKα","","0.0284","0.0269","","","0.0749","0.076","","","","","","1.038","","","","has coordinates,has disorder","262588","2021-03-05","01:48:57",""
"7242216","7.4001","0.0001","26.1446","0.0006","10.7253","0.0002","90","","93.977","0.001","90","","2070.06","0.07","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","o-cresol_urea","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C64 H96 N16 O16 -","8","2","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0754","0.0517","","","0.1457","0.1652","","","","","","1.037","","","","has coordinates","262592","2021-03-05","01:49:27",""
"7242217","17.4483","0.0006","6.0743","0.0002","7.2533","0.0002","90","","96.229","0.003","90","","764.21","0.04","160","0.1","160","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-cresol_oxalic acid","","- C8 H9 O3 -","- C8 H9 O3 -","- C32 H36 O12 -","4","1","","Wang, Na; Wang, Jingkang; Huang, Xin; Wang, Ting; Li, Xin; Yang, Jinyue; Bao, Ying; Yin, Qiuxiang; Hao, Hongxun","A selective cocrystallization separation method based on non-covalent interactions and its application","CrystEngComm","2021","23","7","1550","1554","10.1039/D0CE01799J","","x-ray","1.54184","CuKα","","0.0531","0.0454","","","0.0999","0.104","","","","","","1.054","","","","has coordinates,has disorder","262592","2021-03-05","01:49:27",""
"7242218","5.6416","0.0002","5.8788","0.0002","18.0049","0.0008","95.374","0.003","95.693","0.004","96.475","0.003","587.08","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 Cl F3 N O2 -","- C10 H11 Cl F3 N O2 -","- C20 H22 Cl2 F6 N2 O4 -","2","1","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","1.54184","CuKα","","0.0855","0.0724","","","0.1829","0.1917","","","","","","1.037","","","","has coordinates","263797","2021-04-05","15:05:22",""
"7242219","6.099","0.0001","7.7041","0.0001","25.2722","0.0004","90","","94.075","0.002","90","","1184.47","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N O2 -","- C12 H16 Cl N O2 -","- C48 H64 Cl4 N4 O8 -","4","1","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","0.71073","MoKα","","0.0418","0.0341","","","0.0835","0.0884","","","","","","1.071","","","","has coordinates,has disorder","263797","2021-04-05","15:05:23",""
"7242220","5.7769","0.0003","7.6286","0.0005","21.5338","0.001","90","","96.167","0.005","90","","943.5","0.09","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","1.54184","CuKα","","0.0577","0.0432","","","0.1094","0.1245","","","","","","1.056","","","","has coordinates","263797","2021-04-05","15:05:23",""
"7242221","18.9356","0.0003","3.81317","0.0001","21.672","0.0005","90","","101.702","0.0019","90","","1532.29","0.06","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C64 H64 N16 O16 -","8","1","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","1.54184","CuKα","","0.044","0.0378","","","0.099","0.105","","","","","","1.043","","","","has coordinates","263797","2021-04-05","15:05:23",""
"7242222","5.7548","0.0003","10.5744","0.0005","10.5916","0.0006","110.243","0.005","102.912","0.005","100.879","0.005","563.94","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C24 H28 Cl2 N2 O4 -","2","1","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","1.54184","CuKα","","0.0425","0.0377","","","0.0973","0.1015","","","","","","1.051","","","","has coordinates,has disorder","263797","2021-04-05","15:05:23",""
"7242223","9.0379","0.0003","10.044","0.0003","11.0835","0.0003","90","","99.123","0.003","90","","993.4","0.05","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","1.54184","CuKα","","0.0604","0.0447","","","0.1086","0.122","","","","","","1.054","","","","has coordinates","263797","2021-04-05","15:05:23",""
"7242224","7.6334","0.0002","8.7609","0.0003","14.2366","0.0003","81.705","0.002","88.677","0.002","73.562","0.003","903.45","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C7 H12 O6 -","- C7 H12 O6 -","- C28 H48 O24 -","4","2","","Kassin, Victor-Emmanuel H.; Morodo, Romain; Toupy, Thomas; Jacquemin, Isaline; Van Hecke, Kristof; Robiette, Raphaël; Monbaliu, Jean-Christophe M.","A modular, low footprint and scalable flow platform for the expedient α-aminohydroxylation of enolizable ketones","Green Chemistry","2021","23","6","2336","2351","10.1039/D0GC04395H","","x-ray","1.54184","CuKα","","0.047","0.0419","","","0.113","0.1176","","","","","","1.046","","","","has coordinates","263797","2021-04-05","15:05:23",""
"7242225","9.6049","0.0001","7.6367","0.0001","9.6337","0.0001","90","","90","","90","","706.629","0.014","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H9 Cl I N O -","- C3 H9 Cl I N O -","- C12 H36 Cl4 I4 N4 O4 -","4","0.5","","Zarechnaya, Olga M.; Anisimov, Aleksei A.; Belov, Eugenii Yu; Burakov, Nikolai I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A.","Polycentric binding in complexes of trimethylamine-N-oxide with dihalogens","RSC Advances","2021","11","11","6131","6145","10.1039/D0RA08165E","","","0.71073","MoKα","","0.014","0.014","","","0.0343","0.0343","","","","","","1.281","","","","has coordinates","261512","2021-02-04","21:23:48",""
"7242226","26.536","0.004","26.536","0.004","26.536","0.004","90","","90","","90","","18686","5","93","","93","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C74 H80 B2 N4 Zn -","- C74 H80 B2 N4 Zn -","- C888 H960 B24 N48 Zn12 -","12","0.25","","Takaki, Koyo; Sakuda, Eri; Ito, Akitaka; Horiuchi, Shinnosuke; Arikawa, Yasuhiro; Umakoshi, Keisuke","Bridging-arylene effects on spectroscopic and photophysical properties of arylborane‒dipyrrinato zinc(ii) complexes","RSC Advances","2021","11","11","6259","6267","10.1039/D0RA09029H","","","0.71075","MoKα","","0.0592","0.0587","","","0.1207","0.1209","","","","","","1.28","","","","has coordinates","261513","2021-02-04","21:24:15",""
"7242227","6.015","0.001","6.015","0.001","4.68","0.001","90","","90","","120","","146.64","0.05","127","2","127","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","(NH4)2[ReF6]","Ammonium Hexafluoridorhenate(IV)","","- F6 N2 Re -","- F6 N2 Re -","- F6 N2 Re -","1","0.0833333","","Louis-Jean, James; Balasekaran, Samundeeswari M.; Lawler, Keith V.; Sanchis-Perucho, Adrián; Martínez-Lillo, José; Smith, Dean; Forster, Paul M.; Salamat, Ashkan; Poineau, Frederic","Coexistence of metamagnetism and slow relaxation of magnetization in ammonium hexafluoridorhenate","RSC Advances","2021","11","11","6353","6360","10.1039/D0RA10325J","","","0.71073","MoKα","","0.0282","0.0282","","","0.0764","0.0764","","","","","","1.457","","","","has coordinates","261514","2021-02-04","21:24:39",""
"7242228","11.6354","0.0005","14.5969","0.0005","9.3401","0.0003","90","","98.173","0.002","90","","1570.22","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.71073","MoKα","","0.0817","0.0544","","","0.1152","0.124","","","","","","1.005","","","","has coordinates","261515","2021-02-04","21:25:55",""
"7242229","9.918","0.002","13.013","0.003","12.963","0.0018","90","","91.984","0.018","90","","1672","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.7107","MoKα","","0.1932","0.1089","","","0.1743","0.2282","","","","","","1.131","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242230","25.515","0.005","7.71","0.003","18.24","0.004","90","","108.277","0.017","90","","3407.2","1.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.7107","MoKα","","0.0894","0.0637","","","0.132","0.1529","","","","","","1.101","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242231","8.1493","0.0012","9.642","0.0017","11.4398","0.001","74.396","0.01","88.752","0.01","78.9","0.017","849.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N2 O6.5 -","- C16 H19 N2 O6.5 -","- C32 H38 N4 O13 -","2","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.7107","MoKα","","0.0641","0.0541","","","0.1526","0.1676","","","","","","1.098","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242232","23.7495","0.0015","23.7495","0.0015","4.8467","0.0003","90","","90","","90","","2733.7","0.3","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.71073","MoKα","","0.0663","0.0524","","","0.1147","0.1201","","","","","","1.005","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242233","6.2882","0.0002","22.9444","0.0005","9.3448","0.0002","90","","96.832","0.002","90","","1338.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Di-tert-butyl 3,6-bis(4-methoxyphenyl)-1,4-dioxopyrrolo[3,4- c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","- C60 H64 N4 O16 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","0.6889","synchrotron","","0.0645","0.0479","","","0.1168","0.1237","","","","","","1.08","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242234","11.49","0.0002","10.8917","0.0001","11.4382","0.0002","90","","103.253","0.001","90","","1393.32","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-methoxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C64 H80 N4 O8 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0899","0.0914","","","","","","1.037","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242235","11.3208","0.0002","8.58917","0.00016","13.192","0.0003","90","","108.388","0.002","90","","1217.25","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-hydroxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C28 H32 N2 O4 -","- C28 H32 N2 O4 -","- C56 H64 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0452","0.0395","","","0.0997","0.1042","","","","","","1.06","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242236","12.4391","0.0017","15.1213","0.0015","9.5874","0.0008","90","","96.47","0.01","90","","1791.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Dihexyl-3,6-bis(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C40 H52 N2 O6 -","- C40 H52 N2 O6 -","- C80 H104 N4 O12 -","2","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1027","0.085","","","0.2398","0.2621","","","","","","1.069","","","","has coordinates,has disorder","262555","2021-03-05","01:43:21",""
"7242237","16.4073","0.0009","10.3312","0.0004","21.7327","0.001","90","","91.113","0.005","90","","3683.2","0.3","120","2","120","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Di-tert-butyl 3,6-bis(4-((tert-butoxycarbonyl)oxy)phenyl)-1,4-dioxopyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate","","- C38 H44 N2 O12 -","- C38 H44 N2 O12 -","- C152 H176 N8 O48 -","4","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.053","0.0452","","","0.1122","0.1184","","","","","","1.031","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242238","5.2797","0.0014","7.831","0.002","16.028","0.003","76.61","0.02","85.29","0.02","76.64","0.02","626.9","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dihexyl-3,6-bis(4-hydroxyphenyl)-2,5-dihydropyrrolo[3,4- c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","1","0.5","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.1663","0.088","","","0.1686","0.2184","","","","","","0.983","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242239","11.036","0.0008","11.6239","0.0006","11.4808","0.001","90","","118.259","0.011","90","","1297.2","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-Bis(4-methoxyphenyl)-2,5-bis((S)-2-methylbutyl)-2,5- dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C60 H72 N4 O8 -","2","1","","Humphreys, Joshua; Pop, Flavia; Hume, Paul A.; Murphy, Alanna S.; Lewis, William; Davies, E. Stephen; Argent, Stephen P.; Amabilino, David B.","Solid state structure and properties of phenyl diketopyrrolopyrrole derivatives","CrystEngComm","2021","23","8","1796","1814","10.1039/D1CE00039J","","x-ray","1.54184","CuKα","","0.0541","0.0525","","","0.1382","0.1411","","","","","","1.044","","","","has coordinates","262555","2021-03-05","01:43:21",""
"7242240","12.428","0.003","13.933","0.003","18.288","0.004","90","","90","","90","","3166.7","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Ca N2 O15 -","- C22 H50 Ca N2 O15 -","- C88 H200 Ca4 N8 O60 -","4","1","","Han, Dandan; Du, Shichao; Wu, Songgu; Ouyang, Ruiling; Gong, Junbo","Optimizing the morphology of calcium d-pantothenate by controlling phase transformation processes","CrystEngComm","2021","23","10","2162","2173","10.1039/D0CE01803A","","","0.71073","MoKα","","0.1205","0.0777","","","0.1636","0.1847","","","","","","1.031","","","","has coordinates","263718","2021-04-05","14:32:58",""
"7242241","13.1851","0.0003","11.0699","0.0003","8.081","0.0002","90","","102.35","0.0011","90","","1152.19","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag Cl2 N3 O4 -","- C8 H6 Ag Cl2 N3 O4 -","- C32 H24 Ag4 Cl8 N12 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0608","0.0372","","","0.076","0.0838","","","","","","1.057","","","","has coordinates,has disorder","263729","2021-04-05","14:35:09",""
"7242242","3.804","0.0012","7.186","0.002","20.386","0.006","97.28","0.02","93.93","0.02","98.52","0.02","544.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Br N4 O3 -","- C8 H6 Ag Br N4 O3 -","- C16 H12 Ag2 Br2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.1532","0.0556","","","0.0747","0.094","","","","","","1","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242243","3.7261","0.0002","7.1007","0.0004","19.4928","0.0011","97.342","0.003","94.485","0.003","98.505","0.003","503.4","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag F N4 O3 -","- C8 H6 Ag F N4 O3 -","- C16 H12 Ag2 F2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0487","0.0383","","","0.0979","0.1038","","","","","","1.071","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242244","8.0342","0.0006","21.6112","0.0015","12.453","0.0009","90","","90.03","","90","","2162.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Ag Cl I2 N6 O4 -","- C16 H12 Ag Cl I2 N6 O4 -","- C64 H48 Ag4 Cl4 I8 N24 O16 -","4","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0624","0.0393","","","0.0783","0.0821","","","","","","1.007","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242245","9.3818","0.0002","7.9318","0.0001","33.2918","0.0006","90","","90","","90","","2477.39","0.08","277","2","277","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Ag Br Cl N3 O4 -","- C8 H6 Ag Br Cl N3 O4 -","- C64 H48 Ag8 Br8 Cl8 N24 O32 -","8","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0403","0.034","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242246","3.7598","0.0005","7.1464","0.001","20.287","0.003","97.388","0.003","94.146","0.003","98.6","0.002","532.16","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Ag Cl N4 O3 -","- C8 H6 Ag Cl N4 O3 -","- C16 H12 Ag2 Cl2 N8 O6 -","2","1","","Cheng, Fu-Hung; Liu, Yu-Hsiang; Lee, Wei-Te; Hu, Ji-Hong; Hu, Hui-Ling; Mahat Chhetri, Pradhumna; Chen, Jhy-Der","Silver(i) coordination polymers based on halogenated cyanoformamidine: roles of oxyanions and halogen atoms in the structural diversity","CrystEngComm","2021","23","9","1961","1968","10.1039/D1CE00025J","","","0.71073","MoKα","","0.0717","0.0573","","","0.1447","0.1554","","","","","","1.068","","","","has coordinates","263729","2021-04-05","14:35:09",""
"7242247","13.157","0.009","11.92","0.008","19.644","0.013","90","","108.564","0.018","90","","2920","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 N4 O6 Zn2 -","- C26 H40 N4 O6 Zn2 -","- C104 H160 N16 O24 Zn8 -","4","0.5","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.1389","0.0884","","","0.2427","0.2866","","","","","","0.989","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242248","8.3694","0.0013","11.2558","0.0018","15.878","0.003","104.975","0.004","101.287","0.004","97.972","0.004","1388.5","0.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N10 O2 Zn2 -","- C22 H34 N10 O2 Zn2 -","- C44 H68 N20 O4 Zn4 -","2","1","","Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain","CrystEngComm","2021","23","9","1918","1928","10.1039/D0CE01840F","","","0.71073","MoKα","","0.0812","0.051","","","0.1327","0.1628","","","","","","1.055","","","","has coordinates","263726","2021-04-05","14:34:42",""
"7242249","6.7011","0.0011","9.1071","0.0011","28.951","0.003","90","","92.176","0.01","90","","1765.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N5 O -","- C20 H19 N5 O -","- C80 H76 N20 O4 -","4","1","","Akulov, Alexey A.; Varaksin, Mikhail V.; Tsmokalyuk, Anton N.; Charushin, Valery N.; Chupakhin, Oleg N.","Blue-light-promoted radical C‒H azolation of cyclic nitrones enabled by Selectfluor®","Green Chemistry","2021","23","5","2049","2057","10.1039/D1GC00175B","","","0.71073","MoKα","","0.1457","0.0638","","","0.1434","0.1986","","","","","","1.002","","","","has coordinates","263796","2021-04-05","15:05:12",""
"7242250","10.1788","0.0003","10.1788","0.0003","6.0633","0.0002","90","","90","","120","","544.04","0.03","300","2","300","2","","","","","","","","5","P 63","P 6c","173","","","","- Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89 -","- Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825 -","- Cd0.746 Cl2.07 Ga2.0008 La6 S11.93 -","4","0.666667","","Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang","La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold","CrystEngComm","2021","23","10","2133","2137","10.1039/D0CE01852J","","","0.71073","MoKα","","0.0182","0.0165","","","0.0348","0.0352","","","","","","1.122","","","","has coordinates,has disorder","265937","2021-06-05","18:06:28",""
"7242251","14.3718","0.0004","5.0528","0.0002","19.9057","0.0006","90","","92.002","0.002","90","","1444.63","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 S -","- C14 H12 Br N3 O2 S -","- C56 H48 Br4 N12 O8 S4 -","4","1","","Boujdi, Khalid; El Brahmi, Nabil; Graton, Jérôme; Dubreuil, Didier; Collet, Sylvain; Mathé-Allainmat, Monique; Akssira, Mohamed; Lebreton, Jacques; El Kazzouli, Saïd","A regioselective C7 bromination and C7 palladium-catalyzed Suzuki‒Miyaura cross-coupling arylation of 4-substituted NH-free indazoles","RSC Advances","2021","11","12","7107","7114","10.1039/D0RA08598G","","","1.54184","CuKα","","0.038","0.035","","","0.0887","0.0909","","","","","","1.093","","","","has coordinates","261879","2021-02-11","05:31:10",""
"7242252","10.7593","0.0003","10.8776","0.0003","16.3514","0.0004","90","","104.633","0.003","90","","1851.62","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O P -","- C25 H18 O P -","- C100 H72 O4 P4 -","4","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0467","0.0407","","","0.1075","0.1112","","","","","","1.033","","","","has coordinates","261880","2021-02-11","05:31:59",""
"7242253","18.1201","0.0003","13.7081","0.0002","25.8676","0.0004","90","","93.24","0.002","90","","6415.04","0.17","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H39 F18 Lu O8 P2 -","- C65 H39 F18 Lu O8 P2 -","- C260 H156 F72 Lu4 O32 P8 -","4","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0444","0.0351","","","0.1185","0.1282","","","","","","1.059","","","","has coordinates","261880","2021-02-11","05:32:08",""
"7242254","21.8547","0.0005","15.3407","0.0002","23.4512","0.0006","90","","97.198","0.002","90","","7800.4","0.3","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C130 H78 F36 Lu2 O16 P4 -","- C130 H78 F36 Lu2 O16 P4 -","- C260 H156 F72 Lu4 O32 P8 -","2","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0664","0.053","","","0.1339","0.1417","","","","","","1.025","","","","has coordinates","261880","2021-02-11","05:32:10",""
"7242255","11.5093","0.0002","13.0753","0.0002","10.9809","0.0002","90","","112.31","0.002","90","","1528.79","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N5 O -","- C17 H19 N5 O -","- C68 H76 N20 O4 -","4","1","","El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc","Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues","RSC Advances","2021","11","12","6952","6957","10.1039/D0RA10553H","","","1.54184","CuKα","","0.0379","0.0356","","","0.0935","0.0959","","","","","","1.041","","","","has coordinates","261881","2021-02-11","05:33:05",""
"7242256","21.0136","0.0003","8.3987","0.0001","18.1668","0.0003","90","","100.948","0.002","90","","3147.85","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br N5 O -","- C18 H16 Br N5 O -","- C144 H128 Br8 N40 O8 -","8","1","","El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc","Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues","RSC Advances","2021","11","12","6952","6957","10.1039/D0RA10553H","","","1.54184","CuKα","","0.0233","0.0216","","","0.0557","0.057","","","","","","1.047","","","","has coordinates","261881","2021-02-11","05:33:14",""
"7242257","10.9556","0.0001","8.1734","0.0001","16.6676","0.0002","90","","98.876","0.001","90","","1474.62","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N5 O -","- C17 H19 N5 O -","- C68 H76 N20 O4 -","4","1","","El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc","Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues","RSC Advances","2021","11","12","6952","6957","10.1039/D0RA10553H","","","1.54184","CuKα","","0.0357","0.035","","","0.09","0.0908","","","","","","1.059","","","","has coordinates","261881","2021-02-11","05:33:17",""
"7242258","13.6976","0.0002","15.5866","0.0003","28.4803","0.0005","90","","91.167","0.001","90","","6079.25","0.18","170","1","170","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C216 H312 N24 O72 -","8","2","","Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick","Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06128J","","","1.54178","CuKα","","0.0632","0.055","","","0.1488","0.1565","","","","","","1.037","","","","has coordinates","261909","2021-02-12","05:08:31",""
"7242259","18.2873","0.0003","18.2873","0.0003","18.2873","0.0003","90","","90","","90","","6115.74","0.17","200","1","200","1","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C27 H39 N3 O9 -","- C27 H39 N3 O9 -","- C216 H312 N24 O72 -","8","0.333333","","Raynal, Matthieu; Li, Yan; Troufflard, Claire; Przybylski, Cédric; Gontard, Geoffrey; Maistriaux, Thomas; Idé, Julien; Lazzaroni, Roberto; Bouteiller, Laurent; Brocorens, Patrick","Experimental and computational diagnosis of the fluxional nature of a benzene-1,3,5-tricarboxamide-based hydrogen-bonded dimer","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06128J","","","1.54178","CuKα","","0.0462","0.0406","","","0.1045","0.1098","","","","","","1.031","","","","has coordinates","261909","2021-02-12","05:08:32",""
"7242260","14.0149","0.0016","7.6562","0.0009","18.38","0.002","90","","101.242","0.004","90","","1934.3","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfonamide chalcone","(E)-3-(2-methoxyphenyl)-1-(2-(phenylsulfonylamine)phenyl)prop-2-en-1-one","","- C21 H16 N2 O5 S -","- C21 H16 N2 O5 S -","- C84 H64 N8 O20 S4 -","4","1","","Custodio, Jean; d'Oliveira, Giulio Demetrius Creazo; Gotardo, Fernando; Cocca, Leandro; Boni, Leonardo De; Perez, Caridad; Napolitano, Hamilton; Osório, Francisco; Valverde, Clodoaldo","Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06469F","","","0.71073","MoKα","","0.0857","0.0528","","","0.1066","0.1193","","","","","","1.047","","","","has coordinates","261910","2021-02-12","05:09:03",""
"7242261","23.723","0.002","18.8503","0.0019","15.0119","0.0013","90","","102.003","0.004","90","","6566.3","1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4.5 O12 Zn2 -","- C34 H24 N4.5 O12 Zn2 -","- C272 H192 N36 O96 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.0791","0.0565","","","0.1383","0.1554","","","","","","1.075","","","","has coordinates,has disorder","263732","2021-04-05","14:35:47",""
"7242262","24.717","0.003","19.189","0.003","15.197","0.002","90","","105.906","0.006","90","","6931.9","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 N4.5 O10.5 Zn2 -","- C37 H26.5 N4.5 O10.5 Zn2 -","- C296 H212 N36 O84 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1351","0.0826","","","0.185","0.2313","","","","","","1.133","","","","has coordinates,has disorder","263732","2021-04-05","14:35:57",""
"7242263","24.379","0.002","18.81","0.002","15.0638","0.0013","90","","104.484","0.004","90","","6688.2","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H22.5 Br1.5 N3 O8 Zn2 -","- C34 H20.5 Br1.5 N3 O8 Zn2 -","- C272 H164 Br12 N24 O64 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.1176","0.077","","","0.1804","0.2069","","","","","","1.119","","","","has coordinates,has disorder","263732","2021-04-05","14:35:59",""
"7242264","24.8175","0.0017","19.1673","0.0017","15.1781","0.0011","90","","106.266","0.004","90","","6931","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H27.5 Br1.5 N3 O7.5 Zn2 -","- C37 H26.5 Br1.5 N3 O7.5 Zn2 -","- C296 H212 Br12 N24 O60 Zn16 -","8","1","","Chuang, Po-Min; Huang, Yun-Wen; Liu, Yu-Lin; Wu, Jing-Yun","The influence of linker substitution on the fluorescence responsive sensing of isostructural coordination polymers: visual turn-on, ratiometric, and turn-off sensing in water","CrystEngComm","2021","23","11","2222","2234","10.1039/D0CE01825B","","","0.71073","MoKα","","0.089","0.0719","","","0.1665","0.1826","","","","","","1.067","","","","has coordinates,has disorder","263732","2021-04-05","14:36:08",""
"7242265","9.39175","0.00004","9.39175","0.00004","6.8552","0.00003","90","","90","","120","","523.653","0.004","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","terbium calcium silicate oxide apatite","","- Ca2 O26 Si6 Tb8 -","- Ca2.0022 O26 Si6 Tb7.9978 -","- Ca2.0022 O26 Si6 Tb7.9978 -","1","0.0833333","","Zykin, Mikhail A.; Dyakonov, Andrey K.; Eliseev, Artem A.; Trusov, Lev A.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin; Kazin, Pavel E.","Tb-based silicate apatites showing slow magnetization relaxation with identical parameters for the Tb3+ and Dy3+ counter ions","RSC Advances","2021","11","12","6926","6933","10.1039/D1RA00613D","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0131","0.0127","","0.0193","0.0193","","","","1.85","","","","","","","has coordinates","261954","2021-02-15","05:10:22",""
"7242266","16.7218","0.0002","19.244","0.0003","20.251","0.0003","90","","99.659","0.001","90","","6424.28","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl N O Pd Te -","- C16 H16 Cl N O Pd Te -","- C256 H256 Cl16 N16 O16 Pd16 Te16 -","16","4","","Arora, Aayushi; Oswal, Preeti; Rao, Gyandshwar K.; Kumar, Sushil; Singh, Ajai K.; Kumar, Arun","Catalytically active nanosized Pd9Te4 (telluropalladinite) and PdTe (kotulskite) alloys: first precursor-architecture controlled synthesis using palladium complexes of organotellurium compounds as single source precursors","RSC Advances","2021","11","13","7214","7224","10.1039/D0RA08732G","","x-ray","0.71073","MoKα","","0.0444","0.0331","","","0.0739","0.0841","","","","","","1.0431","","","","has coordinates","261955","2021-02-15","05:10:57",""
"7242267","7.9079","0.0008","8.4514","0.001","8.5568","0.0007","83.934","0.008","87.438","0.008","86.644","0.009","567.27","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Cl2 N Pd Te -","- C8 H11 Cl2 N Pd Te -","- C16 H22 Cl4 N2 Pd2 Te2 -","2","1","","Arora, Aayushi; Oswal, Preeti; Rao, Gyandshwar K.; Kumar, Sushil; Singh, Ajai K.; Kumar, Arun","Catalytically active nanosized Pd9Te4 (telluropalladinite) and PdTe (kotulskite) alloys: first precursor-architecture controlled synthesis using palladium complexes of organotellurium compounds as single source precursors","RSC Advances","2021","11","13","7214","7224","10.1039/D0RA08732G","","","0.71073","MoKα","","0.0478","0.0355","","","0.0725","0.0821","","","","","","1.059","","","","has coordinates","261955","2021-02-15","05:10:57",""
"7242268","14.0266","0.001","24.0079","0.0016","16.5999","0.0012","90","","100.791","0.002","90","","5491.2","0.7","296","2","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C64 H64 Cu4 Ge N16 O40 S16 W12 -","- C128 H128 Cu8 Ge2 N32 O80 S32 W24 -","2","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1851","0.0695","","","0.1238","0.161","","","","","","1.003","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242269","12.374","0.003","15.539","0.004","19.761","0.005","86.897","0.005","87.383","0.005","69.637","0.005","3555.5","1.6","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","- C64 H76 Co4 Ge2 N16 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0942","0.0498","","","0.0926","0.1084","","","","","","0.958","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242270","12.315","0.003","15.474","0.004","19.504","0.005","86.664","0.005","87.32","0.005","69.631","0.005","3477","1.5","273","2","273.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","- C64 H76 Ge2 N16 Ni4 O86 S16 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1395","0.0565","","","0.1007","0.1282","","","","","","0.968","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242271","24.4397","0.0007","14.9911","0.0007","23.8988","0.0009","90","","116.637","0.001","90","","7826.7","0.5","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H68 B Cu2 N16 O43 W12 -","- C44 H68 B Cu2 N16 O43 W12 -","- C176 H272 B4 Cu8 N64 O172 W48 -","4","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.0354","0.0257","","","0.0508","0.0534","","","","","","1.03","","","","has coordinates","263738","2021-04-05","14:37:38",""
"7242272","12.3151","0.0019","15.487","0.002","19.695","0.003","86.76","0.004","87.368","0.004","69.774","0.003","3517.7","0.9","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","- C64 H68 Co4 N16 O82 S16 Si2 W24 -","1","0.5","","Wang, Chen; Ying, Jun; Zhang, Xin-yue; Zhang, Bao-yue; Tian, Ai-xiang; Wang, Xiu-li","Multifunctional photoelectric sensors and catalysts for CO2RR and Cr(vi) solution based on a series of POM-based materials","CrystEngComm","2021","23","12","2424","2431","10.1039/D0CE01811B","","","0.71073","MoKα","","0.1893","0.0707","","","0.1381","0.1806","","","","","","0.924","","","","has coordinates,has disorder","263738","2021-04-05","14:37:38",""
"7242273","8.0137","0.0009","11.6967","0.0013","13.9362","0.0015","72.124","0.001","81.673","0.001","78.364","0.001","1212.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","br-kz-br","","- C28 H21 Br2 N3 -","- C28 H21 Br2 N3 -","- C56 H42 Br4 N6 -","2","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0462","0.0347","","","0.0873","0.0932","","","","","","1.049","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242274","7.3087","0.0004","11.598","0.0007","14.7149","0.0008","98.253","0.005","93.797","0.005","100.037","0.005","1210.18","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H40 Br6 N6 -","- C56 H40 Br6 N6 -","- C56 H40 Br6 N6 -","1","0.5","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","1.54186","CuKα","","0.0481","0.0361","","","0.0887","0.094","","","","","","0.946","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242275","17.509","0.009","12.679","0.007","12.592","0.007","90","","105.956","0.007","90","","2688","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zhu06","brkznbr2","","- C30 H27 Br N4 -","- C30 H27 Br N4 -","- C120 H108 Br4 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0933","0.0701","","","0.2071","0.2285","","","","","","1.039","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242276","17.292","0.004","13.172","0.003","12.572","0.003","90","","106.655","0.002","90","","2743.4","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N4 -","- C30 H26 Br2 N4 -","- C120 H104 Br8 N16 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0861","0.0573","","","0.1714","0.1866","","","","","","1.104","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242277","14.9068","0.0015","13.0177","0.0013","12.5244","0.0013","90","","108.611","0.001","90","","2303.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","kzben","kzben","","- C28 H23 N3 -","- C28 H23 N3 -","- C112 H92 N12 -","4","1","","Chen, Pengfei; Yin, Yuanye; Ni, Yingyong; Zhu, Huichao; Huang, Jianyan; Yang, Jiaxiang; Yang, Jianjun; Kong, Lin","Molecular engineering of carbazole‒acrylonitrile fluorophores: substituent-dependent optical properties and mechanochromism","CrystEngComm","2021","23","11","2289","2296","10.1039/D1CE00012H","","","0.71073","MoKα","","0.0588","0.047","","","0.1352","0.1497","","","","","","1.041","","","","has coordinates","263733","2021-04-05","14:36:22",""
"7242278","7.3602","0.0003","10.9308","0.0003","20.5402","0.0008","90","","97.231","0.003","90","","1639.38","0.1","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cl Fe Hg N O S2 -","- C14 H16 Cl Fe Hg N O S2 -","- C56 H64 Cl4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0408","0.0318","","","0.0546","0.0571","","","","","","1.051","","","","has coordinates","263736","2021-04-05","14:36:43",""
"7242279","11.8081","0.0002","7.406","0.0001","19.7888","0.0003","90","","97.731","0.002","90","","1714.82","0.05","150","2","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Fe Hg I N O S2 -","- C14 H16 Fe Hg I N O S2 -","- C56 H64 Fe4 Hg4 I4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","1.54184","CuKα","","0.0504","0.0471","","","0.1349","0.1378","","","","","","1.031","","","","has coordinates,has disorder","263736","2021-04-05","14:36:44",""
"7242280","7.4965","0.0003","10.9988","0.0004","20.2524","0.0008","90","","90","","90","","1669.86","0.11","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C14 H16 Br Fe Hg N O S2 -","- C14 H16 Br Fe Hg N O S2 -","- C56 H64 Br4 Fe4 Hg4 N4 O4 S8 -","4","1","","Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav","Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies","CrystEngComm","2021","23","12","2414","2423","10.1039/D0CE01867H","","x-ray","0.71073","MoKα","","0.0287","0.0259","","","0.0527","0.0537","","","","","","1.069","","","","has coordinates","263736","2021-04-05","14:36:44",""
"7242281","10.9041","0.0005","12.2722","0.0005","13.4566","0.0005","69.298","0.004","78.815","0.004","88.35","0.004","1650.91","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N5 O14 -","- C31 H35 N5 O14 -","- C62 H70 N10 O28 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0582","0.0479","","","0.1289","0.1402","","","","","","1.018","","","","has coordinates,has disorder","265973","2021-06-05","18:13:55",""
"7242282","8.3259","0.0002","12.0387","0.0003","12.3941","0.0003","83.826","0.002","85.681","0.002","83.373","0.002","1224.35","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H31 N3 O8 -","- C24 H31 N3 O8 -","- C48 H62 N6 O16 -","2","1","","Yu, Hongmei; Zhang, Yong; Zhang, Baoxi; Wang, Ying; Zhang, Li; Zhang, Hailu; Gong, Ningbo; Lu, Yang; Du, Guanhua","Salt or/and cocrystal? The case of the antidepressant drug venlafaxine","CrystEngComm","2021","23","14","2665","2672","10.1039/D0CE01851A","","","1.54184","CuKα","","0.0527","0.0427","","","0.1076","0.1169","","","","","","1.027","","","","has coordinates","265973","2021-06-05","18:13:56",""
"7242283","12.909","0.0004","31.7496","0.0012","12.5191","0.0004","90","","103.998","0.002","90","","4978.7","0.3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 Br4 Cl2 N4 O4 Re2 -","- C41 H50 Br4 Cl2 N4 O4 Re2 -","- C164 H200 Br16 Cl8 N16 O16 Re8 -","4","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.1248","0.0509","","","0.0992","0.1214","","","","","","1.007","","","","has coordinates,has disorder","262019","2021-02-17","05:19:58",""
"7242284","32.6007","0.0005","12.2199","0.0001","18.8003","0.0003","90","","101.704","0.001","90","","7333.89","0.18","200","2","200","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H34 F6 N4 O2 P Re -","- C30 H34 F6 N4 O2 P Re -","- C240 H272 F48 N32 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0442","0.0422","","","0.1171","0.119","","","","","","1.065","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242285","15.1687","0.0003","17.1375","0.0003","12.0964","0.0002","90","","90","","90","","3144.5","0.1","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Br N4 O2 Re -","- C24 H30 Br N4 O2 Re -","- C96 H120 Br4 N16 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0237","0.0234","","","0.0614","0.0615","","","","","","1.116","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242286","12.3996","0.0003","13.8863","0.0003","19.1424","0.0005","90","","100.747","0.002","90","","3238.21","0.14","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 F6 N6 O2 P Re -","- C28 H36 F6 N6 O2 P Re -","- C112 H144 F24 N24 O8 P4 Re4 -","4","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.0359","0.0288","","","0.0659","0.0698","","","","","","1.044","","","","has coordinates","262019","2021-02-17","05:19:59",""
"7242287","12.4068","0.0008","13.9121","0.0006","16.1781","0.0007","90","","90","","90","","2792.4","0.2","250","2","250","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H25 Br Cl4 N2 O2 Re -","- C21 H25 Br Cl4 N2 O2 Re -","- C84 H100 Br4 Cl16 N8 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.1118","0.0778","","","0.2133","0.2417","","","","","","1.033","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242288","14.2929","0.0003","17.3769","0.0003","10.1717","0.0002","90","","90","","90","","2526.31","0.08","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H30 Br N4 O2 Re -","- C24 H30 Br N4 O2 Re -","- C96 H120 Br4 N16 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0234","0.0227","","","0.0566","0.0574","","","","","","1.116","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242289","13.5302","0.0002","34.6388","0.0007","15.2486","0.0002","90","","90","","90","","7146.6","0.2","200","2","200","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C25 H29 Br N3 O2 Re -","- C25 H29 Br N3 O2 Re -","- C200 H232 Br8 N24 O16 Re8 -","8","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0457","0.0439","","","0.1308","0.1329","","","","","","1.094","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242290","18.8689","0.0003","13.4662","0.0002","28.4268","0.0005","90","","90","","90","","7223","0.2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H39 Br N2 O2 P Re -","- C38 H39 Br N2 O2 P Re -","- C304 H312 Br8 N16 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0228","0.0204","","","0.0516","0.0528","","","","","","1.024","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242291","32.1948","0.001","12.3447","0.0003","28.1669","0.0009","90","","144.094","0.001","90","","6565.1","0.4","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 F6 N5 O2 P Re -","- C29 H35 F6 N5 O2 P Re -","- C232 H280 F48 N40 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.0694","0.0438","","","0.1009","0.1105","","","","","","1.06","","","","has coordinates","262019","2021-02-17","05:19:59",""
"7242292","16.983","0.003","5.7953","0.0009","19.334","0.003","90","","111.694","0.011","90","","1768.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N4 O4 -","- C18 H17 F3 N4 O4 -","- C72 H68 F12 N16 O16 -","4","1","","Elagawany, Mohamed; Maram, Lingaiah; Elgendy, Bahaa","Novel synthesis of benzotriazolyl alkyl esters: an unprecedented CH2 insertion","RSC Advances","2021","11","13","7564","7569","10.1039/D0RA10413B","","","0.71073","MoKα","","0.1562","0.0655","","","0.1408","0.1787","","","","","","1.008","","","","has coordinates","262052","2021-02-18","05:20:33",""
"7242293","7.5133","0.0002","15.9736","0.0006","22.5132","0.0008","90","","94.998","0.003","90","","2691.64","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cd Cl4 N6 -","- C26 H24 Cd Cl4 N6 -","- C104 H96 Cd4 Cl16 N24 -","4","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Lobko, Yevheniia V.; Linnik, Rostyslav P.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic‒inorganic hybrid tetrachlorocadmates as promising fluorescent agents for cross-linked polyurethanes: synthesis, crystal structures and extended performance analysis","RSC Advances","2021","11","13","7713","7722","10.1039/D0RA10787E","","","0.71073","MoKα","","0.0788","0.0627","","","0.1328","0.1411","","","","","","1.045","","","","has coordinates","262084","2021-02-19","05:23:56",""
"7242294","9.4184","0.0003","10.7646","0.0004","10.7332","0.0004","99.055","0.003","110.834","0.004","90.861","0.003","1001.39","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cd Cl4 N4 -","- C16 H18 Cd Cl4 N4 -","- C32 H36 Cd2 Cl8 N8 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Lobko, Yevheniia V.; Linnik, Rostyslav P.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic‒inorganic hybrid tetrachlorocadmates as promising fluorescent agents for cross-linked polyurethanes: synthesis, crystal structures and extended performance analysis","RSC Advances","2021","11","13","7713","7722","10.1039/D0RA10787E","","x-ray","0.71073","MoKα","","0.056","0.0375","","","0.0761","0.0847","","","","","","1.033","","","","has coordinates","262084","2021-02-19","05:23:57",""
"7242295","12.7815","0.0003","12.7815","0.0003","12.6563","0.0003","90","","90","","120","","1790.61","0.07","100","0.3","100","0.3","","","","","","","","5","P 32","P 32","145","","","","- C24 H20 O8 P2 Zn -","- C24 H20 O8 P2 Zn -","- C72 H60 O24 P6 Zn3 -","3","1","","Dębowski, Maciej; Florjańczyk, Zbigniew; Ostrowski, Andrzej; Guńka, Piotr A.; Zachara, Janusz; Krztoń-Maziopa, Anna; Chazarkiewicz, Jakub; Iuliano, Anna; Plichta, Andrzej","1D and 2D hybrid polymers based on zinc phenylphosphates: synthesis, characterization and applications in electroactive materials","RSC Advances","2021","11","14","7873","7885","10.1039/D0RA09493E","","","0.71073","MoKα","","0.0253","0.0244","","","0.0553","0.0559","","","","","","1.023","","","","has coordinates","262085","2021-02-19","05:24:28",""
"7242296","22.2701","0.0006","22.2701","0.0006","13.1106","0.0004","90","","90","","120","","5631.2","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C27 H14 N6 O11 S Zn3 -","- C27 H14 N6 O11 S Zn3 -","- C162 H84 N36 O66 S6 Zn18 -","6","1","","Li, Le-Qian; Yao, Shu-Li; Tian, Xue-Mei; Zheng, Teng-Fei; Li, Jin-Yan; Liu, Sui-Jun; Chen, Jing-Lin; Yu, Mei-Hui; Wen, He-Rui","A fluorescence red-shift and turn-on sensor for acetylacetone derived from ZnII-based metal‒organic framework with new topology","CrystEngComm","2021","23","13","2532","2537","10.1039/D1CE00127B","","","0.71073","MoKα","","0.0807","0.0766","","","0.2091","0.2146","","","","","","1.033","","","","has coordinates","265969","2021-06-05","18:13:00",""
"7242297","15.5231","0.0005","3.8267","0.0001","23.9744","0.0008","90","","93.432","0.001","90","","1421.58","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C56 H48 Cl8 N8 O16 -","8","1","","Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng","Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids","Green Chemistry","2021","23","8","2986","2991","10.1039/D0GC04407E","","","0.71073","MoKα","","0.0345","0.0305","","","0.0815","0.0861","","","","","","1.064","","","","has coordinates","264909","2021-05-05","08:48:30",""
"7242298","7.9048","0.0001","11.2276","0.0001","19.3205","0.0002","90","","90","","90","","1714.73","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C68 H104 N8 O16 -","4","1","","Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng","Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids","Green Chemistry","2021","23","8","2986","2991","10.1039/D0GC04407E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.071","0.0712","","","","","","1.037","","","","has coordinates","264909","2021-05-05","08:48:33",""
"7242299","13.293","0.003","18.175","0.004","22.565","0.005","104.83","0.03","103.52","0.03","90.14","0.03","5113","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C52.25 H45 B2 F2 Fe N7 O9 S2 -","- C52.25 H45 B2 F2 Fe N7 O9 S2 -","- C209 H180 B8 F8 Fe4 N28 O36 S8 -","4","2","","Selin, Roman O.; Klemt, Insa; Chernii, Viktor Ya.; Losytskyy, Mykhaylo Yu.; Chernii, Svitlana; Mular, Andrzej; Gumienna-Kontecka, Elzbieta; Kovalska, Vladyslava B.; Voloshin, Yan Z.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Mokhir, Andriy","Synthesis and spectral characterization of the first fluorescein-tagged iron(ii) clathrochelates, their supramolecular interactions with globular proteins, and cellular uptake","RSC Advances","2021","11","14","8163","8177","10.1039/D0RA10502C","","","0.7927","synchrotron","","0.2246","0.0959","","","0.1669","0.2272","","","","","","0.992","","","","has coordinates,has disorder","262182","2021-02-24","05:30:30",""
"7242300","10.568","0.002","13.475","0.003","21.853","0.004","90","","92.35","0.03","90","","3109.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 N24 O5 P4 -","- C60 H64 N24 O5 P4 -","- C120 H128 N48 O10 P8 -","2","0.5","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0359","0.0354","","","0.0941","0.0947","","","","","","1.043","","","","has coordinates,has disorder","262184","2021-02-24","05:31:44",""
"7242301","11.5393","0.0016","8.6391","0.0006","8.8358","0.0009","90","","95.746","0.011","90","","876.41","0.16","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0931","0.0734","","","0.2243","0.2824","","","","","","1.171","","","","has coordinates","262184","2021-02-24","05:31:44",""
"7242302","10.004","0.0014","10.004","0.0014","28.42","0.006","90","","90","","120","","2463.2","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N6 O P -","- C15 H15 N6 O P -","- C90 H90 N36 O6 P6 -","6","0.333333","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0375","0.0373","","","0.1088","0.109","","","","","","1.085","","","","has coordinates","262184","2021-02-24","05:31:45",""
"7242303","8.513","0.0017","15.816","0.003","26.981","0.005","90","","93.06","0.03","90","","3627.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl3.05 Co N12 O2 P2 -","- C30 H32 Cl3.053 Co N12 O2 P2 -","- C120 H128 Cl12.212 Co4 N48 O8 P8 -","4","1","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0576","0.0492","","","0.1503","0.1598","","","","","","1.037","","","","has coordinates","262184","2021-02-24","05:31:45",""
"7242304","10.625","0.002","18.707","0.004","20.479","0.004","90","","98.25","0.03","90","","4028.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 N14 O5 P2 -","- C36 H46 N14 O5 P2 -","- C144 H184 N56 O20 P8 -","4","1","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0402","0.0399","","","0.1065","0.1069","","","","","","1.06","","","","has coordinates","262184","2021-02-24","05:31:45",""
"7242305","10.4277","0.0003","8.5846","0.0002","22.3869","0.0005","90","","98.044","0.001","90","","1984.3","0.09","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 F N2 O3 -","- C21 H25 F N2 O3 -","- C84 H100 F4 N8 O12 -","4","1","","Peng, Wan; Liu, Qiaohong; Yin, Fucheng; Shi, Cunjian; Ji, Limei; Qu, Lailiang; Wang, Cheng; Luo, Heng; Kong, Lingyi; Wang, Xiaobing","Rhodium(iii) catalyzed olefination and deuteration of tetrahydrocarbazole","RSC Advances","2021","11","14","8356","8361","10.1039/D1RA00236H","","","1.54178","CuKα","","0.056","0.0483","","","0.1256","0.1354","","","","","","1.04","","","","has coordinates,has disorder","262185","2021-02-24","05:32:30",""
"7242306","36.4661","0.0005","36.4661","0.0005","36.4661","0.0005","90","","90","","90","","48491.8","1.2","293","","293","","","","","","","","","3","F d -3 c :2","-F 4ud 2vw 3","228","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C2304 H1728 O384 -","96","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0634","0.0537","","","0.1678","0.1811","","","","","","1.072","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242307","20.3993","0.0004","8.82171","0.00015","9.7628","0.00017","90","","95.1304","0.0017","90","","1749.84","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0407","0.0392","","","0.1076","0.1093","","","","","","1.078","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242308","20.3982","0.0004","8.72673","0.0002","9.6682","0.0002","90","","95.154","0.002","90","","1714.07","0.06","120.1","0.1","120.1","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","DHBD","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0375","0.0354","","","0.0952","0.0975","","","","","","1.063","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242309","10.4718","0.0006","10.6341","0.0005","11.1086","0.0006","80.52","0.004","82.65","0.005","83.754","0.005","1205.24","0.11","293","","293","","","","","","","","","3","P 1","P 1","1","BHDB","5,5?-bis(4-hydroxyphenyl)-2,2?-dihydroxy-1,1?-biphenyl","","- C27 H26.5 O6.25 -","- C27 H26.5 O6.25 -","- C54 H53 O12.5 -","2","2","","Dyk, Konrad; Baran, Łukasz; Rżysko, Wojciech; Stankevič, Marek; Kamiński, Daniel M.","Interplay between the crystal stability and the energy of the molecular conformation","CrystEngComm","2021","23","14","2683","2694","10.1039/D0CE01673J","","x-ray","1.54184","CuKα","","0.0994","0.0802","","","0.2037","0.2485","","","","","","1.075","","","","has coordinates","265972","2021-06-05","18:13:46",""
"7242310","17.71","0.001","10.746","0.0006","14.6712","0.0009","90","","106.321","0.006","90","","2679.6","0.3","114.6","0.4","114.6","0.4","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0423","0.0307","","","0.0734","0.0775","","","","","","1.063","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242311","8.7592","0.0007","9.3448","0.0006","9.8941","0.0007","110.237","0.006","110.252","0.007","103.825","0.006","651.02","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C24 H16 Mn2 N12 O10 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0676","0.0696","","","","","","1.071","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242312","21.4986","0.001","7.1737","0.0003","17.4036","0.0008","90","","93.698","0.004","90","","2678.5","0.2","140","0.7","140","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Mn N6 O5 -","- C12 H8 Mn N6 O5 -","- C96 H64 Mn8 N48 O40 -","8","1","","Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li","Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties","CrystEngComm","2021","23","12","2396","2403","10.1039/D1CE00064K","","x-ray","0.71073","MoKα","","0.0317","0.0262","","","0.0657","0.0686","","","","","","1.03","","","","has coordinates","263739","2021-04-05","14:37:51",""
"7242313","6.3079","0.0013","10.573","0.002","11.415","0.002","67.21","0.03","78.84","0.03","76.16","0.03","677.2","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0772","0.0606","","","0.162","0.1746","","","","","","1.058","","","","has coordinates,has disorder","265966","2021-06-05","18:12:25",""
"7242314","5.9981","0.0012","11.148","0.002","12.073","0.002","108.98","0.03","101.57","0.03","105.27","0.03","699.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N2 O3 -","- C15 H15 F N2 O3 -","- C30 H30 F2 N4 O6 -","2","1","","Gak Simić, Kristina; Đorđević, Ivana; Lazić, Anita; Radovanović, Lidija; Petković-Benazzouz, Marija; Rogan, Jelena; Trišović, Nemanja; Janjić, Goran","On the supramolecular outcomes of fluorination of cyclohexane-5-spirohydantoin derivatives","CrystEngComm","2021","23","13","2606","2622","10.1039/D0CE01841D","","","0.71073","MoKα","","0.0733","0.0482","","","0.1073","0.1198","","","","","","1.031","","","","has coordinates,has disorder","265966","2021-06-05","18:12:26",""
"7242315","13.3082","0.0008","11.9672","0.0008","17.9425","0.0011","90","","90","","90","","2857.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H20 I2 N2 -","- C10 H20 I2 N2 -","- C80 H160 I16 N16 -","8","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.045","0.0314","","","0.0415","0.0437","","","","","","1.118","","","","has coordinates","263737","2021-04-05","14:37:07",""
"7242316","15.261","0.0019","9.3873","0.0012","31.291","0.004","90","","101.966","0.002","90","","4385.3","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 I6 N2 O -","- C10 H22 I6 N2 O -","- C80 H176 I48 N16 O8 -","8","2","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.0829","0.0579","","","0.0887","0.0947","","","","","","1.178","","","","has coordinates","263737","2021-04-05","14:37:09",""
"7242317","8.1345","0.0012","8.6866","0.0016","13.065","0.001","95.775","0.009","98.828","0.01","96.093","0.01","900.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","","","0.71073","MoKα","","0.2991","0.052","","","0.1192","0.2235","","","","","","0.596","","","","has coordinates","263737","2021-04-05","14:37:18",""
"7242318","8.15439","0.00012","8.70472","0.00013","13.0978","0.0002","95.739","0.001","98.8219","0.0009","96.07","0.0009","907.14","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H20 I4 N2 -","- C10 H20 I4 N2 -","- C20 H40 I8 N4 -","2","1","","Mezentsev-Cherkes, Ivan A.; Shestimerova, Tatiana A.; Medved'ko, Aleksei V.; Kalinin, Mikhail A.; Kuznetsov, Alexey N.; Wei, Zheng; Dikarev, Evgeny V.; Vatsadze, Sergey Z.; Shevelkov, Andrei V.","Synthesis and supramolecular organization of the iodide and triiodides of a polycyclic adamantane-based diammonium cation: the effects of hydrogen bonds and weak I⋯I interactions","CrystEngComm","2021","23","12","2384","2395","10.1039/D0CE01730B","powder diffraction","x-ray","1.54059","CuKa","","0.0259","0.0259","","0.0342","0.0342","","","","1.32","","","","","","","has coordinates","263737","2021-04-05","14:37:20",""
"7242319","16.581","0.006","9.216","0.003","25.101","0.009","90","","90.099","0.011","90","","3836","2","200","1","200","1","","","","","","","","3","P 1 21 1","P 2yb","4","","2,5-bis(4-((2,7-diethyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.0616","0.0464","","","0.1073","0.1203","","","","","","1.092","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242320","5.5891","0.0011","56.499","0.012","19.86","0.004","90","","91.756","0.005","90","","6268","2","200","1","200","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-bis(4-((2,7-dioctyl-9H-fluoren-9-ylidene)methyl)phenyl)thiophene","","- C76 H92 S -","- C76 H92 S -","- C304 H368 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","0.71073","MoKα","","0.1536","0.1155","","","0.3063","0.3391","","","","","","1.081","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242321","16.5329","0.0004","9.1211","0.0002","24.9977","0.0006","90","","90.694","0.001","90","","3769.33","0.15","80","2","80","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C52 H44 S -","- C52 H44 S -","- C208 H176 S4 -","4","2","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.0945","0.071","","","0.1836","0.2066","","","","","","1.038","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242322","5.6172","0.0004","56.654","0.004","19.3396","0.0013","90","","91.715","0.002","90","","6151.8","0.7","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H92 S -","- C75.608 H91.16 S -","- C302.432 H364.64 S4 -","4","1","","Sonina, Alina A.; Becker, Christina S.; Kuimov, Anatoly D.; Shundrina, Inna K.; Komarov, Vladislav Yu.; Kazantsev, Maxim S.","Alkyl-substituted bis(4-((9H-fluoren-9-ylidene)methyl)phenyl)thiophenes: weakening of intermolecular interactions and additive-assisted crystallization","CrystEngComm","2021","23","14","2654","2664","10.1039/D0CE01794A","","","1.54178","CuKα","","0.1874","0.1573","","","0.4883","0.5528","","","","","","1.053","","","","has coordinates,has disorder","265975","2021-06-05","18:15:31",""
"7242323","10.6894","0.0013","10.6948","0.0014","13.7194","0.0017","90","","91.046","0.002","90","","1568.2","0.3","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Xu, Jun; Huang, Lin; He, Lei; Ni, Zhigang; Shen, Jiabin; Li, Xiaoling; Chen, Kaixian; Li, Wanmei; Zhang, Pengfei","A combination of heterogeneous catalysis and photocatalysis for the olefination of quinoxalin-2(1H)-ones with ketones in water: a green and efficient route to (Z)-enaminones","Green Chemistry","2021","23","5","2123","2129","10.1039/D0GC04235H","","","0.71073","MoKα","","0.0533","0.0397","","","0.101","0.1121","","","","","","1.038","","","","has coordinates","263795","2021-04-05","15:05:07",""
"7242324","16.8962","0.0013","15.3037","0.0013","19.884","0.0015","90","","100.126","0.002","90","","5061.4","0.7","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu2 Mo8 N12 O36 -","- C24 H32 Cu2 Mo8 N12 O36 -","- C96 H128 Cu8 Mo32 N48 O144 -","4","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0752","0.0393","","","0.0773","0.0897","","","","","","0.991","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242325","17.631","0.002","11.086","0.0013","21.185","0.003","90","","102.41","0.002","90","","4044","0.9","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 Cu2 Mo8 N6 O35 -","- C15 H30 Cu2 Mo8 N6 O35 -","- C60 H120 Cu8 Mo32 N24 O140 -","4","1","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0325","","","0.0632","0.0719","","","","","","0.989","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242326","8.6017","0.0009","10.1464","0.0012","11.7076","0.0012","103.573","0.002","94.473","0.002","94.334","0.002","985.58","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","- C14 H28 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.1325","0.0522","","","0.0893","0.1144","","","","","","0.917","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242327","8.5646","0.0004","10.2203","0.0005","12.2734","0.0006","104.382","0.001","92.503","0.001","96.492","0.001","1031.11","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","- C16 H32 Cu Mo8 N6 O34 -","1","0.5","","Wang, Xiu-Li; Cui, Zi-Wei; Lin, Hong-Yan; Chang, Zhi-Han","The rational design of four multifunctional octamolybdate-based complexes for detecting different ions and removing organic dyes from aqueous solution","CrystEngComm","2021","23","10","2113","2121","10.1039/D1CE00009H","","x-ray","0.71073","MoKα","K-L~3~","0.0403","0.0299","","","0.0619","0.0667","","","","","","1.02","","","","has coordinates","263720","2021-04-05","14:33:21",""
"7242328","7.9474","0.0012","17.258","0.003","21.615","0.003","86.131","0.002","89.164","0.002","89.851","0.002","2957.6","0.8","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","4","","Wang, Yu-Hao; Zhang, De-Hua; Cao, Ze-Hun; Li, Wang-Lai; Huang, Yi-Yong","A formal [3 + 3] cycloaddition of allenyl imide and activated ketones for the synthesis of tetrasubstituted 2-pyrones","RSC Advances","2021","11","15","8867","8870","10.1039/D0RA10686K","","","0.71073","MoKα","","0.1649","0.122","","","0.2111","0.2308","","","","","","1.21","","","","has coordinates","262293","2021-02-27","05:16:13",""
"7242329","15.40316","0.00012","7.20606","0.00003","15.43887","0.00009","90","","116.871","0.0009","90","","1528.62","0.02","170","0.15","170","0.15","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","","Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides","Green Chemistry","2021","23","6","2420","2426","10.1039/D1GC00027F","","x-ray","1.54184","CuKα","","0.0328","0.0326","","","0.0873","0.0874","","","","","","1.066","","","","has coordinates","263798","2021-04-05","15:05:29",""
"7242330","8.5976","0.0008","10.8141","0.0009","15.2294","0.0014","90","","90","","90","","1416","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides","Green Chemistry","2021","23","6","2420","2426","10.1039/D1GC00027F","","","0.71073","MoKα","","0.085","0.0577","","","0.1067","0.1143","","","","","","1.022","","","","has coordinates","263798","2021-04-05","15:05:32",""
"7242331","11.9399","0.0015","12.4842","0.0014","13.9049","0.0016","93.014","0.004","101.308","0.004","101.102","0.004","1985.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H39 Cl Dy N5 O8 -","- C35 H39 Cl Dy N5 O8 -","- C70 H78 Cl2 Dy2 N10 O16 -","2","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0742","0.0471","","","0.1021","0.11","","","","","","1.006","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242332","16.3957","0.001","9.7879","0.0006","20.6189","0.0014","90","","110.783","0.002","90","","3093.6","0.3","304","2","304","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Dy N6 O5 -","- C33 H31 Dy N6 O5 -","- C132 H124 Dy4 N24 O20 -","4","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0185","0.0168","","","0.0412","0.0419","","","","","","1.129","","","","has coordinates","265978","2021-06-05","18:16:29",""
"7242333","36.505","0.008","21.596","0.004","27.632","0.006","90","","129.627","0.008","90","","16778","6","303","2","303","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93 H75 Dy2 N5 O10 -","- C93 H75 Dy2 N5 O10 -","- C744 H600 Dy16 N40 O80 -","8","1","","Xu, Shao-Min; An, Zhong-Wu; Zhang, Wei; Zhang, Yi-Quan; Yao, Min-Xia","Ligand field and anion-driven structures and magnetic properties of dysprosium complexes","CrystEngComm","2021","23","15","2825","2834","10.1039/D1CE00115A","","","0.71073","MoKα","","0.0315","0.0236","","","0.0542","0.0567","","","","","","1.052","","","","has coordinates,has disorder","265978","2021-06-05","18:16:29",""
"7242334","34.86","0.006","11.53","0.0019","14.156","0.003","90","","102.602","0.006","90","","5552.7","1.8","273","2","273.15","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C12 H101 Al3 Mo18 N18 O107 Zn5 -","- C12 H52 Al3 Mo18 N18 O92 Zn5 -","- C24 H104 Al6 Mo36 N36 O184 Zn10 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0443","0.0369","","","0.1009","0.1055","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:51",""
"7242335","10.6722","0.0006","20.4675","0.0011","11.8026","0.0006","90","","106.806","0.001","90","","2468","0.2","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H53 Cr Mo6 N4 O40 Zn2 -","- C10 H30 Cr Mo6 N4 O40 Zn2 -","- C20 H60 Cr2 Mo12 N8 O80 Zn4 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0346","0.0301","","","0.0819","0.0836","","","","","","1.084","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242336","5.9548","0.0007","12.6735","0.0015","26.997","0.003","90","","91.812","0.002","90","","2036.4","0.4","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 Cr Cu2 Mo6 N8 O24 -","- C22 H28 Cr Cu2 Mo6 N8 O24 -","- C44 H56 Cr2 Cu4 Mo12 N16 O48 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.058","0.0399","","","0.0954","0.1033","","","","","","1.015","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242337","10.5413","0.0003","18.9773","0.0006","13.4274","0.0004","90","","113.055","0.001","90","","2471.55","0.13","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H55 Cr Cu2 Mo6 N4 O49 -","- C10 H48 Cr Cu2 Mo6 N4 O49 -","- C20 H96 Cr2 Cu4 Mo12 N8 O98 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0317","0.0253","","","0.0652","0.0677","","","","","","1.045","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242338","13.9321","0.0007","15.22","0.0008","16.7345","0.0009","77.324","0.001","70.349","0.001","80.349","0.001","3243.3","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H126 Cu6 Mo18 N24 O96 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","- C60 H92 Cu6 Mo18 N24 O84 Te3 -","1","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0937","0.0462","","","0.1039","0.1222","","","","","","1.012","","","","has coordinates","288155","2023-12-07","17:20:22",""
"7242339","10.6306","0.0006","17.2039","0.001","14.0285","0.0008","90","","108.196","0.001","90","","2437.3","0.2","273","2","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C10 H26 Co2 Cr Mo6 N4 O38 -","- C20 H52 Co4 Cr2 Mo12 N8 O76 -","2","0.5","","Ying, Jun; Zhang, Baoyue; Tian, Aixiang; Wang, Xiuli","A series of A- and B-type Anderson compounds with Al, Te and Cr as centers by tuning different ligands: syntheses, electrochemical, photocatalytic and CO2RR properties","CrystEngComm","2021","23","13","2572","2581","10.1039/D1CE00185J","","","0.71073","MoKα","","0.0693","0.0381","","","0.0841","0.0939","","","","","","1.022","","","","has coordinates","265968","2021-06-05","18:12:52",""
"7242340","14.4368","0.0011","4.9452","0.0004","12.9747","0.001","90","","94.74","0.004","90","","923.13","0.12","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H34 O9 -","- C16 H34 O9 -","- C32 H68 O18 -","2","0.5","","Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.","Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials","RSC Advances","2021","11","16","9410","9420","10.1039/D1RA00804H","","","0.71073","MoKα","","0.0663","0.0593","","","0.1522","0.157","","","","","","1.062","","","","has coordinates","262379","2021-03-03","06:36:48",""
"7242341","4.7565","0.0002","25.9753","0.0013","6.1401","0.0003","90","","94.072","0.003","90","","756.7","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C30 H44 O12 -","2","1","","Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.","Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials","RSC Advances","2021","11","16","9410","9420","10.1039/D1RA00804H","","","0.71073","MoKα","","0.0509","0.0446","","","0.1183","0.124","","","","","","1.032","","","","has coordinates","262379","2021-03-03","06:36:51",""
"7242342","8.3209","0.0005","46.084","0.005","5.1719","0.0002","90","","90","","90","","1983.2","0.3","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 F3 N5 O5 S -","- C18 H20 F3 N5 O5 S -","- C72 H80 F12 N20 O20 S4 -","4","1","","Boles, Jessica E.; Ellaby, Rebecca J.; Shepherd, Helena J.; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles (SSAs) as enhancers of antimicrobial agents towards Escherichia coli (E. coli)","RSC Advances","2021","11","16","9550","9556","10.1039/D1RA00998B","","x-ray","1.54184","CuKα","","0.1158","0.0787","","","0.1516","0.1732","","","","","","1.038","","","","has coordinates","262458","2021-03-04","05:34:19",""
"7242343","13.642","0.002","12.843","0.002","13.658","0.002","90","","107.055","0.005","90","","2287.7","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl3 Fe N4 O2 -","- C20 H20 Cl3 Fe N4 O2 -","- C80 H80 Cl12 Fe4 N16 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0475","0.0423","","","0.1266","0.139","","","","","","1.079","","","","has coordinates","262459","2021-03-04","10:33:04",""
"7242344","12.7967","0.001","9.4429","0.0007","17.7657","0.0014","90","","108.017","0.003","90","","2041.5","0.3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Br2 Fe N6 O2 -","- C18 H17 Br2 Fe N6 O2 -","- C72 H68 Br8 Fe4 N24 O8 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","0.71073","MoKα","","0.0498","0.0359","","","0.082","0.089","","","","","","1.027","","","","has coordinates","262459","2021-03-04","10:33:05",""
"7242345","11.3843","0.0005","11.4267","0.0005","11.6597","0.0005","99.91","0.002","106.378","0.002","95.26","0.002","1417.63","0.11","296","2","296","2","","","","","","","","4","P 1","P 1","1","Nil","(2S,3aR,6S,7aR,8S)-2-(iodomethyl)-6,7,7-trimethylhexahydro-2H-3a,6-methanobenzofuran-8-ol","","- C13 H21 I O2 -","- C13 H21 I O2 -","- C52 H84 I4 O8 -","4","4","","Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish","Studies in the rearrangement reactions involving camphorquinone","RSC Advances","2021","11","13","7180","7186","10.1039/D0RA09839F","","","0.71073","MoKα","","0.065","0.0576","","","0.1656","0.1725","","","","","","1.08","","","","has coordinates","262464","2021-03-04","23:46:12",""
"7242346","6.942","0.0008","10.4314","0.0012","16.881","0.002","90","","90","","90","","1222.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3R,4S)-(+)-1,7,7-trimethyl-3-(propa-1,2-dien-lyl)bicyclo[2.2.1]heptane-2,3-diol","","- C13 H20 O2 -","- C10.4 H16 O1.6 -","- C52 H80 O8 -","5","1.25","","Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish","Studies in the rearrangement reactions involving camphorquinone","RSC Advances","2021","11","13","7180","7186","10.1039/D0RA09839F","","","0.71073","MoKα","","0.1013","0.0542","","","0.0975","0.1209","","","","","","1.075","","","","has coordinates","262464","2021-03-04","23:46:13",""
"7242347","3.8023","0.0006","6.168","0.001","14.583","0.002","98.324","0.01","95.514","0.009","95.661","0.009","334.63","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 F4 -","- C18 H10 F4 -","- C18 H10 F4 -","1","0.5","","Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad","Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response","RSC Advances","2021","11","14","7766","7778","10.1039/D0RA08528F","","","0.71073","MoKα","","0.1248","0.0672","","","0.164","0.1876","","","","","","0.997","","","","has coordinates","262465","2021-03-04","23:48:17",""
"7242348","13.5116","0.0009","5.865","0.0004","14.3546","0.001","90","","100.463","0.004","90","","1118.62","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4''-Diphenoxy-2',5'-difluoro-1,1':4',1''-terphenyl","","- C30 H20 F2 O2 -","- C30 H20 F2 O2 -","- C60 H40 F4 O4 -","2","0.5","","Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad","Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response","RSC Advances","2021","11","14","7766","7778","10.1039/D0RA08528F","","","0.71073","MoKα","","0.0952","0.0647","","","0.1791","0.191","","","","","","1.38","","","","has coordinates","262465","2021-03-04","23:48:18",""
"7242349","13.5172","0.0012","7.2166","0.0005","6.7331","0.0006","90","","96.411","0.004","90","","652.69","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F2 -","- C18 H12 F2 -","- C36 H24 F4 -","2","0.5","","Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad","Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response","RSC Advances","2021","11","14","7766","7778","10.1039/D0RA08528F","","","0.71073","MoKα","","0.0919","0.0749","","","0.2028","0.2269","","","","","","1.056","","","","has coordinates","262465","2021-03-04","23:48:18",""
"7242350","47.9882","0.0019","47.9882","0.0019","13.3456","0.001","90","","90","","120","","26616","2","296","2","296.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C35 H27 Eu N3 O16 Zn -","- C29 H11 Eu N O13 Zn -","- C522 H198 Eu18 N18 O234 Zn18 -","18","0.5","","Zhang, Tao; Chen, Hongtai; Lv, Hongxiao; Li, Qiaoling; Zhang, Xiutang","Nanochannel-based heterometallic {ZnIIHoIII}‒organic framework with high catalytic activity for the chemical fixation of CO2","RSC Advances","2021","11","16","9731","9739","10.1039/D1RA00590A","","","0.71073","MoKα","","0.0544","0.0469","","","0.1116","0.1159","","","","","","1.093","","","","has coordinates,has disorder","262737","2021-03-05","05:26:31",""
"7242351","12.3623","0.001","22.09","0.002","16.5066","0.0013","90","","107.211","0.002","90","","4305.8","0.6","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H42 N6 O13 S5 Zn3 -","- C30 H42 N6 O13 S5 Zn3 -","- C120 H168 N24 O52 S20 Zn12 -","4","1","","Siddique, Armeen; I., Mantasha; Rawat, Poonam; Singh, Ram Niwas; Shahid, M.; Trivedi, Sweta; Gautam, Anshu; Zeeshan, Mohd","A new Zn(ii) MOF assembled from metal‒organic cubes (MOCs) as a highly efficient adsorbent for cationic dyes","CrystEngComm","2021","23","11","2316","2325","10.1039/D0CE01577F","","","0.71073","MoKα","","0.0896","0.0824","","","0.2197","0.227","","","","","","1.0389","","","","has coordinates","263731","2021-04-05","14:35:32",""
"7242352","5.4511","0.0004","8.7712","0.0005","21.3404","0.0012","90","","90.438","0.004","90","","1020.31","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0525","0.0496","","","0.1507","0.1539","","","","","","1.074","","","","has coordinates","268680","2021-09-06","10:31:08",""
"7242353","5.3651","0.0003","9.6939","0.0005","42.693","0.003","90","","90","","90","","2220.4","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.067","0.0627","","","0.166","0.1686","","","","","","1.037","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242354","5.3605","0.0004","10.0888","0.0008","21.47","0.0016","90","","97.129","0.005","90","","1152.14","0.15","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C50 H68 O6 -","2","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0666","0.0607","","","0.1594","0.165","","","","","","1.076","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242355","7.0826","0.0002","16.1438","0.0004","20.5765","0.0005","90","","90","","90","","2352.72","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0737","0.0712","","","0.214","0.2179","","","","","","1.087","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242356","8.8941","0.0002","11.081","0.0003","25.582","0.0007","90","","93.029","0.001","90","","2517.72","0.11","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","2","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0896","0.0875","","","0.2505","0.2544","","","","","","1.044","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242357","6.6418","0.0001","15.8771","0.0003","20.7515","0.0004","90","","90","","90","","2188.3","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C23.9998 H31.9995 O2.9999 -","- C95.9992 H127.998 O11.9996 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0413","0.0405","","","0.1162","0.1174","","","","","","1.033","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242358","6.4082","0.0005","15.89","0.0013","20.4115","0.0016","90","","90","","90","","2078.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0419","0.0414","","","0.1156","0.1164","","","","","","1.044","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242359","5.6104","0.0002","9.8196","0.0004","43.1042","0.0017","90","","90","","90","","2374.69","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0461","0.0452","","","0.1146","0.1152","","","","","","1.111","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242360","7.3904","0.0008","19.8941","0.0014","11.3675","0.0011","90","","90.409","0.009","90","","1671.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[3,4-c]pyrazole","","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Ostache, Nicu-Cosmin; Hiebel, Marie-Aude; Fînaru, Adriana-Luminiţa; Allouchi, Hassan; Guillaumet, Gérald; Suzenet, Franck","Access and modulation of substituted 1-methyl-1,6-dihydropyrazolo[3,4-c]pyrazoles","RSC Advances","2021","11","16","9756","9765","10.1039/D1RA00314C","","x-ray","0.71073","MoKα","","0.1309","0.0603","","","0.1233","0.1584","","","","","","0.974","","","","has coordinates","262790","2021-03-06","05:43:06",""
"7242361","10.3684","0.0005","11.7212","0.0006","13.6653","0.0007","96.048","0.004","93.197","0.005","97.803","0.005","1632.07","0.14","295","2","295","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Li N5 O2 -","- C17 H12 Li N5 O2 -","- C68 H48 Li4 N20 O8 -","4","2","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.113","0.056","","","0.1441","0.1859","","","","","","0.851","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242362","22.0886","0.0019","8.7859","0.0004","20.308","0.001","90","","127.702","0.005","90","","3118.2","0.4","295","2","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 N5 Rb -","- C17 H8 N5 Rb -","- C136 H64 N40 Rb8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0574","0.0313","","","0.0679","0.0746","","","","","","0.832","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242363","20.608","0.0005","7.2325","0.0002","23.9944","0.0005","90","","90","","90","","3576.3","0.15","295","2","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H22 K2 N12 -","- C38 H22 K2 N12 -","- C152 H88 K8 N48 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.1611","0.0736","","","0.1604","0.198","","","","","","0.807","","","","has coordinates","265980","2021-06-05","18:17:18",""
"7242364","18.6417","0.0005","6.1755","0.0002","30.2781","0.0011","90","","116.722","0.002","90","","3113.4","0.18","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 N5 Na O -","- C17 H10 N5 Na O -","- C136 H80 N40 Na8 O8 -","8","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0664","0.0435","","","0.1186","0.1338","","","","","","0.929","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242365","12.1276","0.0004","7.2781","0.0002","20.5686","0.0008","90","","100.77","0.003","90","","1783.53","0.1","295","2","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cs N5 O -","- C18 H12 Cs N5 O -","- C72 H48 Cs4 N20 O4 -","4","1","","Chunikhin, Sergey S.; Ershov, Oleg V.; Yatsenko, Alexandr V.; Tafeenko, Viktor A.; Dmitrieva, Natalia E.; Ievlev, Mikhail Yu.","Alkali metal salts of a tetracyanopyridine (TCPy) derivative: structure characterization and luminescence properties","CrystEngComm","2021","23","15","2816","2824","10.1039/D1CE00028D","","","1.54186","CuKα","","0.0584","0.0516","","","0.1311","0.1356","","","","","","0.968","","","","has coordinates","265980","2021-06-05","18:17:19",""
"7242366","20.3657","0.0015","33.018","0.003","10.0713","0.0008","90","","90","","90","","6772.3","1","423","2","423","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0805","0.044","","","0.1112","0.1261","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242367","20.1201","0.0018","32.676","0.003","10.0411","0.0008","90","","90","","90","","6601.5","1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C36 H32 O6 P2 S -","- C36 H32 O6 P2 S -","- C288 H256 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.0501","0.0379","","","0.0989","0.1046","","","","","","1.004","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242368","20.087","0.003","32.633","0.005","10.0097","0.0018","90","","90","","90","","6561.3","1.8","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H30 D2 O6 P2 S -","- C36 H30 D2 O6 P2 S -","- C288 H240 D16 O48 P16 S8 -","8","0.5","","Xu, Wen-Tao; Liu, Jun-Chao; Zeng, Yu-Ling; Zhang, Hua; Wang, Zhong-Xia","Competing hydrogen-bonding interactions in a high-Tc organic molecular-ionic crystal with evident nonlinear optical response","CrystEngComm","2021","23","13","2509","2512","10.1039/D0CE01875A","","","0.71073","MoKα","","0.2133","0.0785","","","0.1566","0.2011","","","","","","1.001","","","","has coordinates","265967","2021-06-05","18:12:37",""
"7242369","10.5801","0.0019","16.028","0.004","17.16","0.004","71.903","0.007","72.493","0.006","77.17","0.008","2611.2","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","PAC24.5","","","- C62 H72 S3 -","- C62 H72 S3 -","- C124 H144 S6 -","2","1","","Anghel, Cătălin C.; Stroia, Ioan; Pop, Alexandra; Bende, Atilla; Grosu, Ion; Hădade, Niculina D.; Roncali, Jean","An attempt to synthesize a terthienyl-based analog of indacenedithiophene (IDT): unexpected synthesis of a naphtho[2,3-b]thiophene derivative","RSC Advances","2021","11","17","9894","9900","10.1039/D1RA00659B","","","0.71073","MoKα","","0.0825","0.0545","","","0.1286","0.1474","","","","","","1.046","","","","has coordinates","262907","2021-03-09","05:33:31",""
"7242370","4.7441","0.0004","9.5883","0.0009","12.077","0.0011","73.421","0.005","89.483","0.005","86.045","0.006","525.23","0.08","296","2","296","2","","","","","","","","7","P 1","P 1","1","","Ethyl 2-[5-(4-bromophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- 1,3-thiazole-4-carboxylate","","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","- C21 H17 Br Cl N3 O2 S -","1","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0499","0.0346","","","0.0713","0.0766","","","","","","1.032","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242371","23.994","0.004","5.058","0.0009","20.359","0.003","90","","90","","90","","2470.8","0.7","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","2-(5-(4-Chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N'-[(E)-(2-hydroxy -3-methoxyphenyl)methylidene]-1,3-thiazole-4-carbohydrazide","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.1335","0.0465","","","0.0628","0.0779","","","","","","0.915","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242372","7.3329","0.0004","11.3359","0.0007","13.3196","0.0007","105.658","0.003","92.689","0.002","97.255","0.003","1053.76","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","1-{2-[3-(4-Bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one","","- C22 H20 Br N3 O2 S -","- C22 H20 Br N3 O2 S -","- C44 H40 Br2 N6 O4 S2 -","2","1","","Ahmed, Muhammad Naeem; Madni, Murtaza; Anjum, Shaista; Andleeb, Saiqa; Hameed, Shahid; Khan, Abdul Majeed; Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Gil, Diego M.; Frontera, Antonio","Crystal engineering with pyrazolyl-thiazole derivatives: structure-directing role of π-stacking and σ-hole interactions","CrystEngComm","2021","23","18","3276","3287","10.1039/D1CE00256B","","","0.71073","MoKα","","0.0809","0.0396","","","0.084","0.0982","","","","","","1.019","","","","has coordinates","265989","2021-06-05","18:19:53",""
"7242373","6.3282","0.0008","9.8266","0.0012","39.383","0.005","90","","90","","90","","2449","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru","Actuation performance of a photo-bending crystal modeled by machine learning-based regression","CrystEngComm","2021","23","34","5839","5847","10.1039/D1CE00208B","","","0.71075","MoKα","","0.1083","0.0589","","","0.131","0.1545","","","","","","1","","","","has coordinates,has disorder","268696","2021-09-06","10:34:19",""
"7242374","15.458","0.002","14.634","0.003","23.965","0.004","90","","90","","90","","5421.2","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H48 N16 O8 Zn4 -","- C50 H48 N16 O8 Zn4 -","- C200 H192 N64 O32 Zn16 -","4","0.5","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.1335","0.0803","","","0.2361","0.2794","","","","","","1.108","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242375","8.7813","0.0011","15.1028","0.0018","11.4147","0.0014","90","","99.628","0.004","90","","1492.5","0.3","273","2","273","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C27 H28 N8 O4 Zn2 -","- C27 H28 N8 O4 Zn2 -","- C54 H56 N16 O8 Zn4 -","2","1","","Basak, Tanmoy; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Differentiating intramolecular spodium bonds from coordination bonds in two polynuclear zinc(ii) Schiff base complexes","CrystEngComm","2021","23","14","2703","2710","10.1039/D1CE00214G","","","0.71073","MoKα","","0.0725","0.0553","","","0.1337","0.147","","","","","","1.06","","","","has coordinates","265976","2021-06-05","18:15:49",""
"7242376","19.4312","0.0008","21.9435","0.0008","14.1557","0.0007","90","","92.787","0.007","90","","6028.7","0.4","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0704","0.0548","","","0.1568","0.1665","","","","","","1.071","","","","has coordinates","264895","2021-05-05","08:29:17",""
"7242377","19.2114","0.0007","21.9406","0.0009","13.9778","0.0005","90","","92.151","0.003","90","","5887.6","0.4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0534","0.0441","","","0.1199","0.1264","","","","","","1.07","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242378","19.2154","0.0004","21.7934","0.0004","13.8564","0.0004","90","","92.334","0.007","90","","5797.8","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71075","MoKα","","0.0463","0.0399","","","0.0932","0.0961","","","","","","1.067","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242379","19.3817","0.0006","21.9198","0.0007","14.0784","0.0005","90","","92.693","0.003","90","","5974.5","0.3","250","","250","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(bpp)2](TFA)2","[Fe(bpp)2](CF3COO)2","","- C26 H18 F6 Fe N10 O4 -","- C26 H18 F6 Fe N10 O4 -","- C208 H144 F48 Fe8 N80 O32 -","8","1","","Sugiyarto, Kristian Handoyo; Onggo, Djulia; Akutsu, Hiroki; Reddy, Varimalla Raghavendra; Sutrisno, Hari; Nakazawa, Yasuhiro; Bhattacharjee, Ashis","Structural, magnetic and Mössbauer spectroscopic studies of the [Fe(3-bpp)2](CF3COO)2 complex: role of crystal packing leading to an incomplete Fe(ii) high spin ⇋ low spin transition","CrystEngComm","2021","23","15","2854","2861","10.1039/D0CE01687J","","","0.71073","MoKα","","0.0529","0.0428","","","0.1182","0.1254","","","","","","1.066","","","","has coordinates","264895","2021-05-05","08:29:18",""
"7242380","19.12","0.005","28.411","0.005","15.383","0.004","90","","100.982","0.018","90","","8203","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Dy3 N9 O20 -","- C52 H25 Dy3 N9 O20 -","- C208 H100 Dy12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1184","0.0985","","","0.2263","0.2391","","","","","","1.283","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242381","19.173","0.003","28.476","0.003","15.403","0.002","90","","100.962","0.011","90","","8256.1","1.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 N9 O20 Tb3 -","- C52 H25 N9 O20 Tb3 -","- C208 H100 N36 O80 Tb12 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1208","0.0966","","","0.2632","0.286","","","","","","1.047","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242382","19.217","0.0013","28.514","0.002","15.3668","0.0011","90","","100.677","0.004","90","","8274.5","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Gd3 N9 O20 -","- C52 H25 Gd3 N9 O20 -","- C208 H100 Gd12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.0736","0.0532","","","0.1356","0.1438","","","","","","1.044","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242383","19.0512","0.0016","28.4046","0.0016","15.4074","0.001","90","","101.195","0.005","90","","8178.9","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C52 H25 Ho3 N9 O20 -","- C52 H25 Ho3 N9 O20 -","- C208 H100 Ho12 N36 O80 -","4","0.5","","Zhan, Cai-Hong; Huang, Dan-Ping; Wang, Yu; Mao, Wei-Tao; Wang, Xiao-Juan; Jiang, Zhan-Guo; Feng, Yun-Long","Four anionic Ln-MOFs for remarkable separation of C2H2‒CH4/CO2‒CH4 and highly sensitive sensing of nitrobenzene","CrystEngComm","2021","23","15","2788","2792","10.1039/D1CE00235J","","","0.71073","MoKα","","0.1099","0.0823","","","0.2078","0.2267","","","","","","1.039","","","","has coordinates,has disorder","265982","2021-06-05","18:18:05",""
"7242384","11.263","0.002","12.253","0.003","36.822","0.007","90","","90","","90","","5081.6","1.8","225","2","225","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","BDP-OH","","- C32 H22 B F2 N3 O2 -","- C32 H22 B F2 N3 O2 -","- C256 H176 B8 F16 N24 O16 -","8","2","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.7","synchrotron","","0.0864","0.0537","","","0.1316","0.1458","","","","","","0.972","","","","has coordinates,has disorder","262987","2021-03-11","05:31:07",""
"7242385","16.04","0.003","17.1","0.003","17.864","0.004","116.45","0.03","103.07","0.03","103.99","0.03","3930","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","BDP-3","","- C46 H34 B F2 N3 O6 S2 -","- C46 H34 B F2 N3 O6 S2 -","- C184 H136 B4 F8 N12 O24 S8 -","4","2","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.7","synchrotron","","0.1383","0.0942","","","0.2975","0.3206","","","","","","1.135","","","","has coordinates,has disorder","262987","2021-03-11","05:31:13",""
"7242386","7.887","0.0016","42.104","0.008","14.974","0.003","90","","91.65","0.03","90","","4970.4","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","BDP-2","","- C56 H44 B F2 N5 O6 S2 -","- C56 H44 B F2 N5 O6 S2 -","- C224 H176 B4 F8 N20 O24 S8 -","4","1","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.71073","MoKα","","0.1163","0.0586","","","0.1599","0.1831","","","","","","0.974","","","","has coordinates","262987","2021-03-11","05:31:20",""
"7242387","17.3","0.004","26.81","0.006","9.422","0.002","90","","102.391","0.004","90","","4268.3","1.6","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 B F2 N7 O14 S2 -","- C44 H26 B F2 N7 O14 S2 -","- C176 H104 B4 F8 N28 O56 S8 -","4","1","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.71073","MoKα","","0.0928","0.0494","","","0.1007","0.1204","","","","","","1.023","","","","has coordinates","262987","2021-03-11","05:31:20",""
"7242388","16.404","0.0017","16.5999","0.0019","29.998","0.004","90","","90","","90","","8168.6","1.7","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H102 F N7 O8 S4 -","- C72 H102 F N7 O8 S4 -","- C288 H408 F4 N28 O32 S16 -","4","1","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","x-ray","1.54178","CuKα","","0.1309","0.0803","","","0.2048","0.2396","","","","","","1.018","","","","has coordinates,has disorder","262988","2021-03-11","05:32:32",""
"7242389","18.5696","0.0004","26.4247","0.0006","6.5248","0.0001","90","","90","","90","","3201.69","0.11","150.03","","150.03","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 O4 S2 -","- C28 H33 N3 O4 S2 -","- C112 H132 N12 O16 S8 -","4","1","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","x-ray","1.54178","CuKα","","0.0879","0.0834","","","0.2191","0.224","","","","","","1.082","","","","has coordinates,has disorder","262988","2021-03-11","05:32:33",""
"7242390","30.948","0.004","6.6912","0.0008","30.949","0.004","90","","119.496","0.004","90","","5578.2","1.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N4 O4 S2 -","- C27 H32 N4 O4 S2 -","- C216 H256 N32 O32 S16 -","8","2","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","","0.71073","MoKα","","0.0771","0.0568","","","0.1334","0.1452","","","","","","1.069","","","","has coordinates,has disorder","262988","2021-03-11","05:32:33",""
"7242391","17.5629","0.0007","18.0137","0.0007","18.846","0.0006","105.518","0.003","96.587","0.003","118.352","0.004","4846","0.4","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H58 Eu2 F18 N4 O12 S3 -","- C94.5 H58 Eu2 F18 N4 O12 S3 -","- C189 H116 Eu4 F36 N8 O24 S6 -","2","1","","Yao, Zhiwei; Zhou, Yanyan; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Ancillary ligand modulated stereoselective self-assembly of triple-stranded Eu(iii) helicate featuring circularly polarized luminescence","RSC Advances","2021","11","18","10524","10531","10.1039/D1RA01583D","","","0.71073","MoKα","","0.0716","0.047","","","0.1242","0.1416","","","","","","1.044","","","","has coordinates,has disorder","262989","2021-03-11","05:33:08",""
"7242392","11.372","0.0011","11.372","0.0011","12.5321","0.0019","90","","90","","120","","1403.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H4 I6 O20 Sr Ti -","- H4.0002 I6 O20 Sr Ti -","- H12.0006 I18 O60 Sr3 Ti3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0221","0.0191","","","0.038","0.039","","","","","","1.053","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242393","11.31","0.03","11.31","0.03","11.36","0.03","90","","90","","120","","1258","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H6 I6 O20 Ti -","- H6 I6 O20 Ti -","- H18 I18 O60 Ti3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0361","0.0259","","","0.036","0.0382","","","","","","0.977","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242394","10.807","0.007","10.807","0.007","11.098","0.007","90","","90","","120","","1122.5","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Sn Sr -","- I6 O18 Sn Sr -","- I18 O54 Sn3 Sr3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0196","0.0172","","","0.0366","0.0374","","","","","","1.095","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242395","15.476","0.009","11.366","0.007","16.349","0.009","90","","90.29","0.017","90","","2876","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O3 -","- C16 H13 N5 O3 -","- C128 H104 N40 O24 -","8","2","","Saha, Sayan; De, Avik; Ghosh, Arijit; Ghosh, Avik; Bera, Kaushik; Das, Krishna Sundar; Akhtar, Sohel; Maiti, Nakul C.; Das, Abhijit Kumar; Das, Benu Brata; Mondal, Raju","Pyridine-pyrazole based Al(iii) ‘turn on’ sensor for MCF7 cancer cell imaging and detection of picric acid","RSC Advances","2021","11","17","10094","10109","10.1039/D1RA00082A","","","0.71073","MoKα","","0.114","0.0635","","","0.1599","0.1896","","","","","","1.116","","","","has coordinates","262991","2021-03-11","05:34:29",""
"7242396","3.9124","0.0003","15.4255","0.0012","11.8549","0.0009","90","","93.293","0.003","90","","714.27","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl N4 -","- C6 H5 Cl N4 -","- C24 H20 Cl4 N16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0714","0.0461","","","0.1137","0.1241","","","","","","1.052","","","","has coordinates","265979","2021-06-05","18:16:41",""
"7242397","11.0127","0.0013","4.6953","0.0007","23.988","0.003","90","","93.872","0.004","90","","1237.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N7 O4 -","- C8 H6 Cl N7 O4 -","- C32 H24 Cl4 N28 O16 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.1559","0.0657","","","0.1433","0.1769","","","","","","1.012","","","","has coordinates,has disorder","265979","2021-06-05","18:16:53",""
"7242398","4.5803","0.0003","27.1194","0.0017","10.7559","0.0007","90","","99.38","0.002","90","","1318.18","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8.25 N6 O7.12 -","- C8 H8 N6 O7.125 -","- C32 H32 N24 O28.5 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","MoKα","","0.0783","0.0565","","","0.1552","0.17","","","","","","1.08","","","","has coordinates","265979","2021-06-05","18:16:58",""
"7242399","3.538","0.002","12.804","0.006","13.613","0.007","64.235","0.012","83.9","0.016","82.879","0.016","550.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N14 O13 -","- C12 H6 N14 O13 -","- C12 H6 N14 O13 -","1","0.5","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Bi, Fuqiang; Liu, Ning; Lu, Ming","Pyrazolo[1,5-a]pyrimidine with similar “amino‒nitro‒amino” arrangement characteristics to TATB: a novel heat-resistant explosive with fused structure","CrystEngComm","2021","23","15","2801","2808","10.1039/D1CE00049G","","","0.71073","","","0.1986","0.1553","","","0.3126","0.3309","","","","","","1.136","","","","has coordinates,has disorder","265979","2021-06-05","18:17:01",""
"7242400","10.1005","0.0002","14.618","0.0004","19.371","0.0005","90","","96.553","0.001","90","","2841.42","0.12","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 N12 O12 S2 Zn2 -","- C44 H36 N12 O12 S2 Zn2 -","- C88 H72 N24 O24 S4 Zn4 -","2","0.5","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0533","0.0414","","","0.1152","0.1196","","","","","","1.111","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242401","9.811","0.002","10.155","0.002","11.055","0.002","81.48","0.03","65.66","0.03","61.82","0.03","883.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N6 Ni O5 -","- C20 H15 N6 Ni O5 -","- C40 H30 N12 Ni2 O10 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0232","0.0222","","","0.0557","0.0563","","","","","","1.034","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242402","8.8834","0.0018","20.288","0.004","13.751","0.003","90","","94.56","0.03","90","","2470.4","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O7 S2 Zn -","- C25 H20 N6 O7 S2 Zn -","- C100 H80 N24 O28 S8 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0375","0.0295","","","0.0747","0.0799","","","","","","1.042","","","","has coordinates","265951","2021-06-05","18:09:54",""
"7242403","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H122 N30 O54 S4.984 Zn5 -","- C936 H976 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0732","0.0566","","","0.1548","0.1692","","","","","","1.043","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242404","56.682","0.011","16.357","0.003","38.802","0.008","90","","131.77","0.03","90","","26831","15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C117 H122 N30 O54 S5 Zn5 -","- C117 H112 N30 O54 S4.984 Zn5 -","- C936 H896 N240 O432 S39.872 Zn40 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Kan, Shou-Ju; Nguyen, Doan Duy-An","Auxiliary ligand-modulated trisimidazole-based coordination polymers: syntheses, structures and photoluminescence properties","CrystEngComm","2021","23","19","3434","3443","10.1039/D1CE00068C","","","0.71073","MoKα","","0.0725","0.0559","","","0.1533","0.168","","","","","","1.021","","","","has coordinates,has disorder","265951","2021-06-05","18:09:54",""
"7242405","15.138","0.003","10.099","0.002","22.516","0.007","90","","90","","90","","3442.2","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H32 Br2 N6 O4 S2 -","- C36 H32 Br2 N6 O4 S2 -","- C144 H128 Br8 N24 O16 S8 -","4","0.5","","Jiang, Shuai; Cao, Wen-Bin; Li, Hai-Yan; Xu, Xiao-Ping; Ji, Shun-Jun","Convenient synthesis of spiroindolenines from tryptamine-derived isocyanides and organic azides by cobalt catalysis in pure water","Green Chemistry","2021","23","7","2619","2623","10.1039/D1GC00270H","","","0.71073","MoKα","","0.1204","0.0555","","","0.1415","0.1881","","","","","","1.061","","","","has coordinates","264912","2021-05-05","08:49:25",""
"7242406","7.3724","0.0002","33.4103","0.0009","11.7744","0.0003","90","","104.009","0.002","90","","2813.94","0.13","296.15","0.02","296.15","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cd2 N8 O21 S4 -","- C52 H48 Cd2 N8 O21 S4 -","- C104 H96 Cd4 N16 O42 S8 -","2","0.5","","Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.","Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes","RSC Advances","2021","11","18","10767","10776","10.1039/D1RA00207D","","","0.71073","MoKα","","0.0602","0.0373","","","0.0707","0.0795","","","","","","1.03","","","","has coordinates,has disorder","263022","2021-03-13","05:25:37",""
"7242407","9.0487","0.0004","10.2616","0.0003","16.0633","0.0004","75.272","0.002","89.528","0.003","66.293","0.004","1313.35","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Co3 N6 O26 S4 -","- C42 H46 Co3 N6 O26 S4 -","- C42 H46 Co3 N6 O26 S4 -","1","0.5","","Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.","Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes","RSC Advances","2021","11","18","10767","10776","10.1039/D1RA00207D","","x-ray","1.54184","CuKα","","0.0907","0.0852","","","0.2365","0.2435","","","","","","1.097","","","","has coordinates","263022","2021-03-13","05:25:47",""
"7242408","15.8633","0.0018","17.2055","0.0019","8.9423","0.0011","90","","100.403","0.008","90","","2400.6","0.5","296.15","0.02","296.15","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ba N2 O10 S2 -","- C16 H14 Ba N2 O10 S2 -","- C64 H56 Ba4 N8 O40 S8 -","4","1","","Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.","Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes","RSC Advances","2021","11","18","10767","10776","10.1039/D1RA00207D","","","0.71073","MoKα","","0.0541","0.0384","","","0.0826","0.0903","","","","","","0.98","","","","has coordinates","263022","2021-03-13","05:25:47",""
"7242409","22.1444","0.0018","14.5741","0.0011","28.23","0.002","90","","102.549","0.002","90","","8893.1","1.2","175","2","175","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 Ce Cu2 N8 O62 P W11 -","- C40 H32 Ce Cu2 N8 O51 P W11 -","- C160 H128 Ce4 Cu8 N32 O204 P4 W44 -","4","1","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0678","0.0469","","","0.1096","0.1205","","","","","","1.098","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242410","36.912","0.004","19.18","0.002","22.158","0.003","90","","90","","90","","15687","3","175","2","175","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C60 H120 Cu2 N12 Nd2 O112 P2 W22 -","- C60 H48 Cu2 N12 Nd2 O92 P2 W22 -","- C240 H192 Cu8 N48 Nd8 O368 P8 W88 -","4","0.5","","Zhang, Rong-Tao; Xiao, Hui-Ping; Li, Zhong; Wang, Min; Xie, Yu-Feng; Ye, Yi-Da; Li, Xin-Xiong; Zheng, Shou-Tian","Two highly stable inorganic‒organic hybrid 3D frameworks based on Cu‒Ln incorporated polyoxometalates for selective dye removal and proton conduction","CrystEngComm","2021","23","16","2973","2981","10.1039/D1CE00218J","","","0.71073","MoKα","","0.0593","0.04","","","0.094","0.1027","","","","","","1.034","","","","has coordinates","265958","2021-06-05","18:11:16",""
"7242411","26.331","0.003","7.176","0.0007","13.4905","0.0014","90","","119.392","0.006","90","","2220.9","0.4","151","","151","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.36 H1.64 N0.36 O0.55 -","- C2.36364 H1.63636 N0.363636 O0.545455 -","- C104 H72 N16 O24 -","44","5.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.0367","0.0324","","","0.0817","0.0862","","","","","","1.051","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242412","4.574","0.0005","10.4956","0.0012","22.772","0.002","90","","93.33","0.004","90","","1091.4","0.2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N4 O6 -","- C26 H18 N4 O6 -","- C52 H36 N8 O12 -","2","0.5","","Cao, Lifu; Tang, Baolei; Yu, Xu; Ye, Kaiqi; Zhang, Hongyu","Intense red emissive organic crystals with elastic bending ability and optical waveguiding behaviour","CrystEngComm","2021","23","34","5758","5762","10.1039/D1CE00192B","","","0.71073","MoKα","","0.1312","0.1045","","","0.2135","0.2241","","","","","","1.23","","","","has coordinates","268678","2021-09-06","10:30:28",""
"7242413","10.4889","0.0006","11.1126","0.0007","13.9538","0.0008","99.969","0.002","111.335","0.002","90.59","0.002","1487.34","0.15","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","- C48 H68 Cd2 N6 O24 P6 -","1","0.5","","Wu, Jing-Yun; Hu, Zhi-Jia; Sung, Hui-Ling","A water-stable molecular cadmium phosphonate bearing 2-(2-pyridyl)benzimidazole as a highly sensitive luminescence sensor for the selective detection of bisphenol AF and bisphenol B","CrystEngComm","2021","23","15","2842","2853","10.1039/D0CE01740J","","","0.71073","MoKα","","0.0874","0.051","","","0.1086","0.1338","","","","","","1.084","","","","has coordinates","265981","2021-06-05","18:17:27",""
"7242414","22.969","0.001","8.1561","0.0003","8.6458","0.0003","90","","100.575","0.004","90","","1592.17","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 O8 S2 -","- C34 H42 O8 S2 -","- C68 H84 O16 S4 -","2","0.5","","Guilbert, Anne A. Y.; Parr, Zachary S.; Kreouzis, Theo; Woods, Duncan J.; Sprick, Reiner Sebastian; Abrahams, I.; Nielsen, Christian; Zbiri, Mohamed","Effect of substituting non-polar chains with polar chains on the structural dynamics of small organic molecule and polymer semiconductors","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00670C","","","1.54184","CuKα","","0.0584","0.0488","","","0.1287","0.1337","","","","","","1.083","","","","has coordinates,has disorder","263060","2021-03-16","05:02:46",""
"7242415","14.353","0.0013","30.106","0.003","26.328","0.002","90","","90","","90","","11376.6","1.8","298","2","298.15","","","","","","","","","5","F m m m","-F 2 2","69","","","","- C22 H18 Cl3 Cu3 N10 -","- C22 H18 Cl3 Cu3 N10 -","- C352 H288 Cl48 Cu48 N160 -","16","0.5","","Wang, Xiao-Qing; Tang, Jing; Ma, Xuehui; Wu, Dan; Yang, Jie","A novel copper(i) metal‒organic framework as a highly efficient and ultrasensitive electrochemical platform for detection of Hg(ii) ions in aqueous solution","CrystEngComm","2021","23","16","3043","3051","10.1039/D1CE00197C","","","0.71073","MoKα","","0.1469","0.0809","","","0.2076","0.2339","","","","","","0.828","","","","has coordinates,has disorder","265959","2021-06-05","18:11:26",""
"7242416","4.8058","0.0005","26.6823","0.0019","7.1899","0.0007","90","","106.575","0.01","90","","883.65","0.15","293","2","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(3-chlorobenzyl)-1H-tetrazole","","- C8 H7 Cl N4 -","- C8 H7 Cl N4 -","- C32 H28 Cl4 N16 -","4","1","","Mittal, Rupali; Kumar, Amit; Awasthi, Satish Kumar","Practical scale up synthesis of carboxylic acids and their bioisosteres 5-substituted-1H-tetrazoles catalyzed by a graphene oxide-based solid acid carbocatalyst","RSC Advances","2021","11","19","11166","11176","10.1039/D1RA01053K","","x-ray","0.71073","MoKα","","0.0832","0.0718","","","0.141","0.1463","","","","","","1.206","","","","has coordinates","263108","2021-03-18","05:29:20",""
"7242417","18.6837","0.0005","14.4095","0.0004","18.9429","0.0005","90","","112.067","0.003","90","","4726.3","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53 H36 Ir N4 O4 -","- C53 H36 Ir N4 O4 -","- C212 H144 Ir4 N16 O16 -","4","1","","Ma, Zequn; Jing, Chaojun; Hang, Deyu; Fan, Hongtao; Duan, Lumeng; Fang, Shuqing; Yan, Li","Synthesis, characterization, and photoelectric properties of iridium(iii) complexes containing an N hetero-dibenzofuran C^N ligand","RSC Advances","2021","11","18","11004","11010","10.1039/D0RA10584H","","x-ray","1.54184","CuKα","","0.0709","0.055","","","0.1469","0.1682","","","","","","1.002","","","","has coordinates","263109","2021-03-18","05:29:42",""
"7242418","13.011","0.007","10.48","0.006","13.837","0.008","90","","112.332","0.008","90","","1745.2","1.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H36 Li5 N5 O5 -","- C38 H35.124 Li5 N5 O5 -","- C76 H70.248 Li10 N10 O10 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.2977","0.1148","","","0.2025","0.276","","","","","","1.04","","","","has coordinates,has disorder","263110","2021-03-18","05:32:23",""
"7242419","10.5688","0.0009","13.1163","0.0011","17.2651","0.0014","102.602","0.0011","91.2345","0.0012","93.5123","0.0012","2329.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H136 Li6 O10 -","- C100 H136 Li6 O10 -","- C100 H136 Li6 O10 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.7749","synchrotron","","0.0995","0.0717","","","0.2039","0.2283","","","","","","1.058","","","","has coordinates,has disorder","263110","2021-03-18","05:32:33",""
"7242420","13.354","0.012","13.959","0.009","17.735","0.014","70.39","0.04","84.17","0.05","62.02","0.03","2744","4","293","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H146 Li6 O23 S8 -","- C96 H120 Li6 O20 S8 -","- C96 H120 Li6 O20 S8 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.6889","synchrotron","","0.2148","0.1086","","","0.2623","0.3294","","","","","","0.892","","","","has coordinates,has disorder","263110","2021-03-18","05:32:37",""
"7242421","13.306","0.002","13.306","0.002","19.079","0.003","90","","90","","90","","3377.9","0.9","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H85 Li5 O18 S4 -","- C56 H77 Li5 O17 S4 -","- C112 H154 Li10 O34 S8 -","2","0.25","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0941","0.0641","","","0.1721","0.1868","","","","","","1.083","","","","has coordinates","263110","2021-03-18","05:32:49",""
"7242422","11.763","0.014","36.82","0.04","13.119","0.016","90","","96.406","0.011","90","","5647","11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 Li2 O10 -","- C60 H88 Li2 O10 -","- C240 H352 Li8 O40 -","4","2","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.6889","synchrotron","","0.1922","0.1497","","","0.4003","0.4514","","","","","","1.047","","","","has coordinates","263110","2021-03-18","05:32:49",""
"7242423","17.8795","0.0013","23.8479","0.0017","17.995","0.0013","90","","111.905","0.0011","90","","7118.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H200 Li8 O34.72 S8 -","- C136 H200 Li8 O34.722 S8 -","- C272 H400 Li16 O69.444 S16 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.1116","0.0973","","","0.2577","0.2797","","","","","","1.07","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242424","13.35","0.008","13.868","0.009","14.564","0.009","114.022","0.007","95.245","0.006","111.486","0.006","2198","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C90.45 H133.36 Li6 O14.77 -","- C80 H110 Li6 O14 -","- C80 H110 Li6 O14 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0969","0.0712","","","0.1912","0.2154","","","","","","1.049","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242425","25.323","0.013","17.655","0.009","26.894","0.014","90","","105.218","0.005","90","","11602","10","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C116 H160 Li8 O17 S8 -","- C112 H152 Li8 O16 S8 -","- C448 H608 Li32 O64 S32 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.2183","0.0982","","","0.2165","0.2721","","","","","","0.929","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242426","38.167","0.003","20.3517","0.0014","18.4867","0.0013","90","","99.9979","0.0005","90","","14141.7","1.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134 H198 Li5 Na O35.28 S8 -","- C124 H178 Li5 Na O32.78 S8 -","- C496 H712 Li20 Na4 O131.12 S32 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0663","0.0632","","","0.1717","0.1762","","","","","","1.054","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242427","10.1136","0.001","9.7173","0.001","24.005","0.003","90","","92.928","0.004","90","","2356.1","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H32 Cd2 N6 O9 S2 -","- C54 H32 Cd2 N6 O9 S2 -","- C108 H64 Cd4 N12 O18 S4 -","2","0.5","","Liu, Liangjuan; Ran, Yungen; Du, Jianlong; Wang, Zhichao; Liu, Mei; Mu, Yajuan","A luminescent Cd(ii) coordination polymer as a multi-responsive fluorescent sensor for Zn2+, Fe3+ and Cr2O72− in water with fluorescence enhancement or quenching","RSC Advances","2021","11","19","11266","11272","10.1039/D0RA10203B","","","0.71073","MoKα","","0.0732","0.0414","","","0.0786","0.0871","","","","","","1.049","","","","has coordinates","263111","2021-03-18","05:34:15",""
"7242428","7.9854","0.0003","9.1752","0.0003","10.0446","0.0004","109.095","0.003","93.499","0.003","114.294","0.003","617.3","0.05","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","- C16.5 H18 Fe Mn N13 O2 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0238","0.0225","","","0.0535","0.0547","","","","","","1.002","","","","has coordinates,has disorder","265970","2021-06-05","18:13:11",""
"7242429","9.4079","0.0002","10.1883","0.0003","23.8729","0.0006","91.19","0.002","93.989","0.002","111.582","0.002","2120","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","- C56 H77 Fe3 Mn3 N39 O11 S6 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0543","0.0478","","","0.1102","0.1162","","","","","","1","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242430","7.61976","0.00012","7.9651","0.00013","10.3658","0.0002","80.7473","0.0015","85.5354","0.0015","87.3833","0.0013","618.702","0.019","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","- C16 H19 Fe Mn N13 O3 S2 -","1","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0281","0.026","","","0.0615","0.0631","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242431","8.1888","0.0001","15.3535","0.0003","18.004","0.0004","111.855","0.002","100.356","0.002","91.24","0.001","2056.93","0.07","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C27 H30 Cl2 Fe Mn2 N20 O S4 -","- C54 H60 Cl4 Fe2 Mn4 N40 O2 S8 -","2","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0605","0.042","","","0.1134","0.1179","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242432","10.20025","0.00011","29.0606","0.0003","17.5583","0.0002","90","","106.475","0.0012","90","","4991.05","0.1","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C33 H36 Fe2 Mn2 N26 O4 S4 -","- C132 H144 Fe8 Mn8 N104 O16 S16 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0335","0.0273","","","0.0674","0.0703","","","","","","1.002","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242433","10.98926","0.00013","15.42554","0.00014","16.6133","0.0002","90","","108.952","0.0013","90","","2663.54","0.06","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Fe Mn N13 O2 S2 -","- C18 H21 Fe Mn N13 O2 S2 -","- C72 H84 Fe4 Mn4 N52 O8 S8 -","4","1","","Sasnovskaya, Valentina D.; Zorina, Leokadiya V.; Simonov, Sergey V.; Talantsev, Artem D.; Mikhailov, Artem A.; Kostin, Gennadiy A.; Yagubskii, Eduard B.","Cyano-bridged polynuclear coordination compounds derived from paramagnetic [Mn(H2daptsc)]2+ and photochromic [Fe(CN)5NO]2− building blocks","CrystEngComm","2021","23","14","2733","2745","10.1039/D0CE01863E","","x-ray","0.71073","MoKα","","0.0256","0.0219","","","0.0541","0.0562","","","","","","1.003","","","","has coordinates","265970","2021-06-05","18:13:12",""
"7242434","10.9869","0.0003","12.0485","0.0004","13.7559","0.0005","115.833","0.004","91.587","0.003","100.906","0.003","1596.83","0.11","106","","106","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0572","0.0356","","","0.0703","0.0757","","","","","","0.994","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242435","11.0467","0.0003","12.0603","0.0003","13.7505","0.0004","64.635","0.003","79.967","0.002","78.865","0.002","1615.5","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0375","","","0.0851","0.0918","","","","","","1.073","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242436","11.0537","0.0003","12.0557","0.0003","13.7262","0.0004","64.89","0.003","80.331","0.002","78.815","0.002","1617.26","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0724","0.0391","","","0.0818","0.0903","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:55",""
"7242437","11.0165","0.0003","12.0569","0.0004","13.7786","0.0004","64.116","0.003","79.239","0.003","78.965","0.002","1605.03","0.09","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0574","0.0337","","","0.0706","0.0762","","","","","","1.032","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242438","10.981","0.0003","12.0448","0.0003","13.7409","0.0004","115.825","0.003","91.535","0.002","100.927","0.002","1593.91","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0508","0.0315","","","0.0677","0.0726","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242439","11.0864","0.0003","12.0734","0.0003","13.7103","0.0004","65.253","0.003","80.773","0.003","78.66","0.002","1627.78","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.0001 N Ni O6 S10 -","- C40 H62 Br2.0002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0713","0.0377","","","0.0875","0.0967","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242440","11.1022","0.0004","12.0838","0.0004","13.7055","0.0005","65.348","0.003","80.897","0.003","78.557","0.003","1632","0.11","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Br N Ni O6 S10 -","- C20 H30 Br N Ni O6 S10 -","- C40 H60 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0828","0.0413","","","0.0922","0.1026","","","","","","1.02","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242441","11.1201","0.0005","12.1021","0.0005","13.7058","0.0007","65.393","0.005","80.958","0.004","78.454","0.004","1637.39","0.15","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0881","0.0431","","","0.0958","0.1082","","","","","","1.031","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242442","11.0117","0.0003","12.0652","0.0003","13.7791","0.0004","115.895","0.003","91.351","0.002","101.004","0.002","1604.69","0.09","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br0.9999 N Ni O6 S10 -","- C40 H62 Br1.9998 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0537","0.0325","","","0.0677","0.0728","","","","","","1.026","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242443","11.0374","0.0003","12.0627","0.0003","13.7656","0.0004","64.349","0.003","79.574","0.002","78.92","0.002","1611.41","0.09","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0558","0.0333","","","0.069","0.0746","","","","","","1.039","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242444","11.076","0.0003","12.0662","0.0003","13.7164","0.0005","65.106","0.003","80.573","0.003","78.719","0.002","1623.84","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0766","0.0405","","","0.0923","0.1033","","","","","","1.019","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242445","11.2167","0.0004","12.1808","0.0004","13.7373","0.0005","65.696","0.003","81.308","0.003","78.012","0.003","1668.72","0.11","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1032","0.047","","","0.1118","0.1318","","","","","","1.008","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242446","11.211","0.0004","12.1703","0.0004","13.7456","0.0005","65.635","0.003","81.252","0.003","78.145","0.003","1667.21","0.11","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.1044","0.0522","","","0.1284","0.151","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242447","11.2193","0.0003","12.3191","0.0002","12.7473","0.0003","92.239","0.002","111.956","0.002","96.066","0.002","1618.98","0.07","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0501","0.0446","","","0.1268","0.1323","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242448","11.2216","0.0003","12.3162","0.0003","12.7541","0.0003","92.155","0.002","111.864","0.002","96.1","0.002","1620.96","0.07","133","","133","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0476","0.0419","","","0.1168","0.1216","","","","","","1.056","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242449","11.2637","0.0002","12.342","0.0001","12.8337","0.0002","91.372","0.001","110.996","0.001","96.45","0.001","1651.13","0.04","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0327","0.031","","","0.0815","0.0831","","","","","","1.034","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242450","11.2714","0.0001","12.3406","0.0001","12.8452","0.0001","91.241","0.001","110.823","0.001","96.452","0.001","1655.78","0.03","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0337","0.0319","","","0.084","0.0854","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242451","11.2107","0.0003","12.315","0.0002","12.7451","0.0003","92.2792","0.0018","112.126","0.002","96.0601","0.0018","1614.84","0.07","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0608","0.0495","","","0.1395","0.1478","","","","","","1.098","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242452","11.3244","0.0005","12.3495","0.0004","12.9385","0.0006","90.918","0.003","110.128","0.004","96.018","0.003","1686.95","0.13","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0976","0.0559","","","0.1553","0.191","","","","","","0.916","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242453","11.1865","0.0005","12.1459","0.0005","13.7395","0.0006","65.63","0.004","81.204","0.004","78.269","0.004","1659.95","0.14","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br1.001 N Ni O6 S10 -","- C40 H62 Br2.002 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0879","0.045","","","0.1086","0.1248","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242454","11.3149","0.0003","12.3589","0.0003","12.909","0.0003","90.9686","0.0019","110.34","0.002","96.269","0.002","1679.59","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.115","0.1287","","","","","","0.996","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242455","11.2452","0.0002","12.3442","0.0002","12.8113","0.0002","91.832","0.001","111.431","0.001","96.243","0.001","1640.65","0.05","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.0367","0.0354","","","0.0998","0.1011","","","","","","1.027","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242456","11.3571","0.0002","12.3603","0.0002","12.9511","0.0003","90.864","0.002","109.988","0.002","95.958","0.002","1696.81","0.06","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0615","0.0398","","","0.1234","0.1397","","","","","","0.975","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242457","11.2803","0.0003","12.3375","0.0002","12.8611","0.0003","91.103","0.002","110.634","0.002","96.375","0.002","1661.43","0.07","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0389","","","0.1292","0.1449","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242458","11.2185","0.0003","12.3084","0.0003","12.7536","0.0003","92.083","0.002","111.733","0.002","96.128","0.002","1621.02","0.07","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0546","0.0438","","","0.1218","0.1293","","","","","","1.068","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242459","11.3046","0.0005","12.3319","0.0004","12.9008","0.0006","90.991","0.003","110.208","0.004","96.173","0.003","1675.11","0.13","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0751","0.0516","","","0.142","0.1641","","","","","","0.986","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242460","11.1694","0.0004","12.1413","0.0004","13.7408","0.0006","65.543","0.004","81.123","0.003","78.362","0.003","1656.09","0.12","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Br N Ni O6 S10 -","- C20 H31 Br N Ni O6 S10 -","- C40 H62 Br2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0783","0.0416","","","0.0958","0.1076","","","","","","1.049","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242461","11.2784","0.0001","12.346","0.0001","12.8619","0.0001","91.145","0.001","110.678","0.001","96.422","0.001","1661.63","0.03","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","1.54184","CuKα","","0.029","0.0271","","","0.0763","0.0776","","","","","","1.054","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242462","11.2892","0.0003","12.3438","0.0003","12.8805","0.0003","91.047","0.002","110.467","0.002","96.326","0.002","1668.26","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0528","0.0366","","","0.1064","0.1176","","","","","","1.015","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242463","11.25474","0.00018","12.34881","0.00018","12.82304","0.00017","91.7415","0.0011","111.291","0.0014","96.3016","0.0012","1645.75","0.05","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 Cl N Ni O6 S10 -","- C20 H31 Cl N Ni O6 S10 -","- C40 H62 Cl2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0445","0.0347","","","0.091","0.0965","","","","","","1.084","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242464","11.1765","0.0004","12.2812","0.0003","12.6527","0.0004","87.364","0.002","68.465","0.003","80.094","0.002","1591.12","0.09","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0427","0.0357","","","0.0936","0.0981","","","","","","1.05","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242465","10.4363","0.0003","12.637","0.0004","12.9511","0.0004","70.974","0.003","79.852","0.002","80.316","0.002","1578.17","0.09","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0466","0.0336","","","0.0838","0.0897","","","","","","1.05","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242466","10.4067","0.0003","12.6314","0.0005","12.9479","0.0004","70.517","0.003","79.892","0.002","80.138","0.003","1567.96","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C19.98 H31 F0.98 N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0461","0.0348","","","0.086","0.0915","","","","","","1.067","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242467","10.4883","0.0002","12.6467","0.0003","12.9675","0.0003","71.543","0.002","79.792","0.002","80.656","0.002","1595.3","0.06","273","","273","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0565","0.0357","","","0.1154","0.1327","","","","","","0.87","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242468","10.3645","0.0003","12.6254","0.0005","12.9123","0.0004","69.835","0.003","79.972","0.003","79.948","0.003","1549.82","0.1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0419","0.0329","","","0.1016","0.1117","","","","","","0.782","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242469","10.3864","0.0002","12.6343","0.0005","12.9338","0.0005","69.944","0.003","79.973","0.003","79.97","0.003","1557.9","0.1","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.0807","0.0857","","","","","","1.055","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242470","10.5115","0.0003","12.6531","0.0004","12.9821","0.0003","71.701","0.002","79.787","0.002","80.782","0.002","1603.24","0.08","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0525","0.0336","","","0.0801","0.0867","","","","","","1.055","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242471","10.3994","0.0003","12.6286","0.0005","12.9431","0.0004","70.317","0.003","79.956","0.002","80.078","0.003","1564.1","0.1","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0425","0.0333","","","0.0832","0.0879","","","","","","1.072","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242472","10.3884","0.0003","12.6271","0.0004","12.9344","0.0004","70.113","0.003","79.966","0.002","80.068","0.002","1559.3","0.09","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0504","0.0383","","","0.0902","0.0961","","","","","","1.011","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242473","10.4754","0.0003","12.6503","0.0004","12.9637","0.0004","71.385","0.003","79.802","0.002","80.55","0.002","1591.61","0.09","253","","253","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0509","0.0343","","","0.081","0.0872","","","","","","1.047","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242474","10.4204","0.0003","12.6319","0.0004","12.9511","0.0004","70.735","0.003","79.898","0.002","80.25","0.002","1572.9","0.09","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.057","0.0414","","","0.1011","0.1094","","","","","","1.016","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242475","10.452","0.0003","12.6374","0.0004","12.9527","0.0004","71.178","0.003","79.806","0.002","80.408","0.002","1582.77","0.09","233","","233","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0485","0.0335","","","0.0804","0.0864","","","","","","1.044","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242476","11.2486","0.0006","12.354","0.0008","12.7375","0.0008","87.498","0.005","69.343","0.006","80.758","0.005","1634.61","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H32 N Ni O6 S10 -","- C20 H32 N Ni O6 S10 -","- C40 H64 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","","0.71073","MoKα","","0.0535","0.0365","","","0.0945","0.102","","","","","","1.051","","","","has coordinates","265974","2021-06-05","18:14:56",""
"7242477","10.5742","0.0007","12.6426","0.0007","13.0305","0.0011","72.446","0.006","79.808","0.006","81.42","0.005","1626.1","0.2","373","","373","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0887","0.0514","","","0.1505","0.177","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242478","10.5377","0.0003","12.6697","0.0003","13.0079","0.0004","71.903","0.002","79.822","0.002","80.956","0.002","1615.05","0.08","313","","313","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0532","0.0354","","","0.0855","0.0938","","","","","","1.042","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242479","10.5475","0.0003","12.6632","0.0003","13.0124","0.0004","72.091","0.003","79.842","0.003","81.154","0.002","1618.65","0.08","333","","333","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.0578","0.0383","","","0.0986","0.1077","","","","","","1.077","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242480","10.5673","0.0004","12.6724","0.0004","13.0358","0.0006","72.219","0.004","79.801","0.004","81.293","0.003","1627.17","0.12","353","","353","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H31 F N Ni O6 S10 -","- C20 H31 F N Ni O6 S10 -","- C40 H62 F2 N2 Ni2 O12 S20 -","2","1","","Hasuo, Naohiro; Takahashi, Kiyonori; Hisaki, Ichiro; Kokado, Kenta; Nakamura, Takayoshi","Molecular motion of halogenated ethylammonium/[18]crown-6 supramolecular ions in nickel dithiolate magnetic crystals","CrystEngComm","2021","23","14","2756","2763","10.1039/D1CE00253H","","x-ray","0.71073","MoKα","","0.071","0.0459","","","0.1373","0.1559","","","","","","0.911","","","","has coordinates,has disorder","265974","2021-06-05","18:14:56",""
"7242481","6.8191","0.0003","6.8191","0.0003","12.7035","0.0011","90","","90","","120","","511.57","0.05","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","- H6 Na3 O27 S6 Y3 -","1","0.166667","","Wu, Chao; Lin, Lin; Wu, Tianhui; Huang, Zhipeng; Zhang, Chi","Deep-ultraviolet transparent alkali metal‒rare earth metal sulfate NaY(SO4)2·H2O as a nonlinear optical crystal: synthesis and characterization","CrystEngComm","2021","23","16","2945","2951","10.1039/D1CE00226K","","","0.71073","MoKα","","0.017","0.0157","","","0.0385","0.0389","","","","","","1.061","","","","has coordinates","265960","2021-06-05","18:11:32",""
"7242482","14.6401","0.0003","8.4503","0.0002","13.3398","0.0003","90","","112.159","0.003","90","","1528.42","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C68 H60 N20 O12 -","4","1","","Liao, Lieqiang; Jia, Xinjian; Lou, Haoxiang; Zhong, Jinlian; Liu, Huijin; Ding, Shunming; Chen, Chao; Hong, Sanguo; Luo, Xuzhong","Supramolecular gel formation regulated by water content in organic solvents: self-assembly mechanism and biomedical applications","RSC Advances","2021","11","19","11519","11528","10.1039/D1RA00647A","","","1.54178","CuKα","","0.1897","0.1837","","","0.4051","0.4077","","","","","","1.207","","","","has coordinates","263201","2021-03-20","05:29:05",""
"7242483","16.0449","0.0001","17.5436","0.0001","20.4435","0.0001","90","","90","","90","","5754.54","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Br2 Zr -","- C32 H42 Br2 Zr -","- C256 H336 Br16 Zr8 -","8","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","","1.54184","CuKα","","0.0314","0.0293","","","0.0774","0.0794","","","","","","1.041","","","","has coordinates","263202","2021-03-20","05:31:05",""
"7242484","40.4192","0.0006","11.2901","0.0001","17.8001","0.0003","90","","102.217","0.002","90","","7938.9","0.2","150","2","150.01","0.1","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C46 H56 Zr -","- C46 H56 Zr -","- C368 H448 Zr8 -","8","2","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.106","0.105","","","0.2535","0.254","","","","","","1.206","","","","has coordinates","263202","2021-03-20","05:31:12",""
"7242485","23.524","0.0007","12.9247","0.0003","25.9982","0.0008","90","","112.71","0.004","90","","7291.7","0.4","150","2","150.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H56 Zr -","- C47.5 H56 Zr -","- C380 H448 Zr8 -","8","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.032","0.0252","","","0.0606","0.0634","","","","","","1.034","","","","has coordinates","263202","2021-03-20","05:31:12",""
"7242486","14.3118","0.0002","13.6443","0.0002","20.5174","0.0004","90","","109.185","0.002","90","","3784.01","0.12","150","2","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Zr -","- C46 H56 Zr -","- C184 H224 Zr4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.032","0.0277","","","0.0708","0.0754","","","","","","1.049","","","","has coordinates","263202","2021-03-20","05:31:12",""
"7242487","12.4928","0.0001","14.8315","0.0001","14.5898","0.0001","90","","98.31","","90","","2674.92","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Br2 Zr -","- C30 H38 Br2 Zr -","- C120 H152 Br8 Zr4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","","0.71073","MoKα","","0.0346","0.0288","","","0.0702","0.0723","","","","","","1.054","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242488","11.2859","0.0001","15.3811","0.0002","16.5363","0.0002","90","","94.569","0.001","90","","2861.41","0.06","150","2","149.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 Zr -","- C32 H42 Cl2 Zr -","- C128 H168 Cl8 Zr4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0341","0.0245","","","0.0561","0.0602","","","","","","1.012","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242489","10.6474","0.0013","5.8091","0.0007","24.587","0.002","90","","90","","90","","1520.8","0.3","150","2","150.01","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0767","0.056","","","0.1466","0.1661","","","","","","0.979","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242490","5.8532","0.0001","24.6468","0.0005","10.7323","0.0002","90","","99.656","0.002","90","","1526.34","0.05","150","2","150","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0564","0.0494","","","0.1467","0.153","","","","","","1.069","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242491","21.893","0.008","9.298","0.004","11.082","0.004","90.07","0.005","92.648","0.005","92.006","0.006","2252.1","1.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.0861","0.0542","","","0.1157","0.1278","","","","","","1.033","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242492","21.229","0.003","9.6695","0.0009","11.1075","0.001","90","","91.327","0.004","90","","2279.5","0.4","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","1","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.054","0.0432","","","0.1075","0.1159","","","","","","1.027","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242493","21.833","0.019","9.359","0.007","11.086","0.009","90.328","0.017","92.39","0.02","91.79","0.02","2262","3","148","2","148","2","","","","","","","","4","P -1","-P 1","2","Diphenhydramine citrate salt","2-(Benzhydryloxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate","","- C23 H29 N O8 -","- C23 H29 N O8 -","- C92 H116 N4 O32 -","4","2","","Wang, Kunlin; Wang, Chenguang; Mishra, Manish Kumar; Young, Victor G.; Sun, Changquan Calvin","Reversible facile single-crystal-to-single-crystal polymorphic transition accompanied by unit cell volume expansion and twinning","CrystEngComm","2021","23","14","2648","2653","10.1039/D1CE00055A","","","0.71073","MoKα","","0.1762","0.1363","","","0.3543","0.3834","","","","","","0.965","","","","has coordinates","265971","2021-06-05","18:13:23",""
"7242494","9.2129","0.0009","9.9156","0.001","17.7795","0.0018","80.589","0.003","77.092","0.003","64.355","0.003","1423.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 N11 O5 S2 Zn2 -","- C18 H31 N11 O5 S2 Zn2 -","- C36 H62 N22 O10 S4 Zn4 -","2","1","","Mondal, Ipsita; Frontera, Antonio; Chattopadhyay, Shouvik","On the importance of RH3C⋯N tetrel bonding interactions in the solid state of a dinuclear zinc complex with a tetradentate Schiff base ligand","CrystEngComm","2021","23","18","3391","3397","10.1039/D0CE01864C","","","0.71073","MoKα","","0.0322","0.028","","","0.0718","0.0751","","","","","","1.05","","","","has coordinates,has disorder","265984","2021-06-05","18:18:31",""
"7242495","12.6045","0.0005","27.3658","0.001","20.1424","0.0007","90","","91.799","0.001","90","","6944.3","0.4","120","2","119.98","","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C106 H150 B8 Cu4 F8 Fe2 N32 O15 S6 W2 -","- C212 H300 B16 Cu8 F16 Fe4 N64 O30 S12 W4 -","2","0.5","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.0761","0.0547","","","0.1447","0.1599","","","","","","1.117","","","","has coordinates,has disorder","265947","2021-06-05","18:08:32",""
"7242496","22.8904","0.0007","22.8904","0.0007","27.7745","0.0009","90","","90","","120","","12603.3","0.7","150","2","150.02","","","","","","","","","9","P -3 c 1","-P 3 2""c","165","","","","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C114 H140 B8 Cu6 Fe3 N36 O26 S8 W2 -","- C228 H280 B16 Cu12 Fe6 N72 O52 S16 W4 -","2","0.166667","","Li, Jie; Tan, Yi; Cao, Chen; Wang, Zhi-Kang; Niu, Zheng; Song, Ying-Lin; Lang, Jian-Ping","One-dimensional and two-dimensional coordination polymers from cluster modular construction","CrystEngComm","2021","23","17","3160","3166","10.1039/D1CE00206F","","","0.71073","MoKα","","0.1048","0.0689","","","0.2023","0.2535","","","","","","1.172","","","","has coordinates,has disorder","265947","2021-06-05","18:08:41",""
"7242497","22.3221","0.0006","11.774","0.0003","16.2459","0.0004","90","","90.15","0.001","90","","4269.74","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N4 Na O10 -","- C46 H44 Dy N4 Na O10 -","- C184 H176 Dy4 N16 Na4 O40 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0964","0.0471","","","0.0881","0.1019","","","","","","1.085","","","","has coordinates","265940","2021-06-05","18:07:15",""
"7242498","10.9971","0.0004","29.7015","0.001","14.676","0.0004","90","","111.441","0.001","90","","4461.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Dy N5 Na2 O13 -","- C46 H44 Dy N5 Na2 O13 -","- C184 H176 Dy4 N20 Na8 O52 -","4","1","","Wang, Hui-Sheng; Zhang, Ke; Wang, Jia; Hu, Zhaobo; Song, You; Zhang, Zaichao; Pan, Zhi-Quan","Regulating the distortion degree of the square antiprism coordination geometry in Dy‒Na single ion magnets","CrystEngComm","2021","23","17","3175","3184","10.1039/D1CE00146A","","","0.71073","MoKα","","0.0553","0.0349","","","0.0712","0.0765","","","","","","1.024","","","","has coordinates","265940","2021-06-05","18:07:16",""
"7242499","34.9669","0.0003","14.8136","0.0001","30.7587","0.0002","90","","101.597","0.001","90","","15607.3","0.2","100.15","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C112.5 H93 Cl5 I12 N24 O8 Zn6 -","- C112.5 H93 Cl5 I12 N24 O8 Zn6 -","- C450 H372 Cl20 I48 N96 O32 Zn24 -","4","1","","Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki","Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins","RSC Advances","2021","11","19","11606","11609","10.1039/D1RA00915J","","x-ray","1.54184","CuKα","","0.0976","0.0884","","","0.2857","0.3029","","","","","","1.225","","","","has coordinates,has disorder","263233","2021-03-23","05:38:11",""
"7242500","8.91118","0.00016","11.0174","0.0002","15.8907","0.0011","90","","90","","90","","1560.12","0.12","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki","Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins","RSC Advances","2021","11","19","11606","11609","10.1039/D1RA00915J","","","1.54187","CuKα","","0.0342","0.0319","","","0.0698","0.0707","","","","","","1.09","","","","has coordinates","263233","2021-03-23","05:38:14",""
"7242501","19.149","0.004","10.772","0.002","23.154","0.005","90","","90","","90","","4776","1.7","113.15","","113.15","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C10.25 H13 Cu0.5 O5.25 -","- C10.25 H13 Cu0.5 O5.25 -","- C164 H208 Cu8 O84 -","16","1","","Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie","A novel two-dimensional metal‒organic framework as a recyclable heterogeneous catalyst for the dehydrogenative oxidation of alcohol and the N-arylation of azole compounds","RSC Advances","2021","11","19","11739","11744","10.1039/D1RA00248A","","","0.71073","MoKα","","0.0957","0.0903","","","0.2145","0.2176","","","","","","1.151","","","","has coordinates,has disorder","263234","2021-03-23","05:38:50",""
"7242502","12.713","0.0011","16.7745","0.0015","14.7977","0.0013","90","","91.265","0.004","90","","3154.9","0.5","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 Eu2 N6 O25 -","- C15 H38 Eu2 N6 O25 -","- C60 H152 Eu8 N24 O100 -","4","0.5","","Feng, Lu; Zeng, Tian-Yu; Hou, Hao-Bo; Zhou, Hong; Tian, Jian","Theoretical hydrogen bonding calculations and proton conduction for Eu(iii)-based metal‒organic framework","RSC Advances","2021","11","19","11495","11499","10.1039/D1RA01528A","","","0.71073","MoKα","","0.081","0.0392","","","0.0598","0.07","","","","","","0.998","","","","has coordinates,has disorder","263235","2021-03-23","05:39:15",""
"7242503","4.0051","0.0003","10.1298","0.0008","16.3327","0.0012","90","","92.222","0.003","90","","662.13","0.09","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H13 F O4 -","- C17 H13 F O4 -","- C34 H26 F2 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen; Lin, Chun-Yi","A novel one-pot synthesis of flavones","RSC Advances","2021","11","19","11655","11662","10.1039/D1RA00534K","","","0.71073","MoKα","","0.0307","0.0288","","","0.0799","0.0827","","","","","","1.118","","","","has coordinates","263236","2021-03-23","05:39:37",""
"7242504","13.8913","0.0019","29.698","0.004","17.353","0.002","90","","104.522","0.002","90","","6930.2","1.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H88 O12 -","- C88 H88 O12 -","- C352 H352 O48 -","4","1","","Takahashi, Masaki; Tsuji, Naoya; Yazaki, Kohei; Sei, Yoshihisa; Obata, Makoto","A fluorescent calix[4]arene with naphthalene units at the upper rim exhibits long fluorescence emission lifetime without fluorescence quenching","RSC Advances","2021","11","19","11651","11654","10.1039/D1RA01743H","","","0.71073","MoKα","","0.1188","0.0731","","","0.197","0.2251","","","","","","1.045","","","","has coordinates","263237","2021-03-23","05:40:01",""
"7242505","9.533","0.0003","9.6406","0.0003","11.2374","0.0004","73.591","0.003","89.342","0.003","70.111","0.003","927.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Mn N2 O8 -","- C18 H18 Mn N2 O8 -","- C36 H36 Mn2 N4 O16 -","2","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0429","0.0422","","","0.1181","0.1188","","","","","","1.052","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242506","20.5062","0.0003","6.4692","0.0001","27.8762","0.0003","90","","95.957","0.001","90","","3678.05","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cd2 Cl2 N4 O9 -","- C36 H23 Cd2 Cl2 N4 O9 -","- C144 H92 Cd8 Cl8 N16 O36 -","4","0.5","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0446","0.0431","","","0.1295","0.1311","","","","","","1.065","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242507","6.3178","0.0002","19.3847","0.0008","27.9152","0.0011","90","","90","","90","","3418.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","1.54184","CuKα","","0.0889","0.0627","","","0.1516","0.171","","","","","","1.109","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242508","18.542","0.004","14.847","0.003","27.876","0.006","90","","90","","90","","7674","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H28 N4 Ni2 O12 -","- C36 H28 N4 Ni2 O12 -","- C288 H224 N32 Ni16 O96 -","8","1","","Yin, Meng-Ru; Yan, Qing-Qing; Li, Bin; Yong, Guo-Ping","1D ladder and 2D bilayer coordination polymers constructed from a new T-shaped ligand: luminescence, magnetic and CO2 gas adsorption properties","CrystEngComm","2021","23","17","3196","3203","10.1039/D1CE00257K","","","0.71073","MoKα","","0.0512","0.0491","","","0.1611","0.1641","","","","","","1.021","","","","has coordinates","265946","2021-06-05","18:08:12",""
"7242509","5.7323","0.0003","9.019","0.0005","17.3597","0.001","90","","90","","90","","897.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0304","0.0283","","","0.0707","0.0717","","","","","","1.051","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242510","5.4954","0.0004","8.4298","0.0005","9.3517","0.0006","90","","90","","90","","433.22","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.059","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242511","5.759","0.003","5.772","0.003","12.492","0.007","90","","90","","90","","415.2","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0614","0.0493","","","0.1184","0.1226","","","","","","1.063","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242512","12.3598","0.0005","12.8606","0.0005","15.4574","0.0006","81.976","0.001","75.455","0.001","70.669","0.001","2239.9","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl N O4 S -","- C25 H22 Cl N O4 S -","- C100 H88 Cl4 N4 O16 S4 -","4","2","","Liu, Chengkou; Lin, Yang; Cai, Chen; Yuan, Chengcheng; Fang, Zheng; Guo, Kai","Continuous-flow electro-oxidative coupling of sulfides with activated methylene compounds leading to sulfur ylides","Green Chemistry","2021","23","8","2956","2961","10.1039/D1GC00226K","","","0.71073","MoKα","","0.0884","0.0691","","","0.1813","0.203","","","","","","1","","","","has coordinates","264911","2021-05-05","08:49:14",""
"7242513","7.5763","0.0008","8.5961","0.0009","10.7211","0.001","100.721","0.003","99.964","0.003","91.329","0.004","674.59","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C24 H20 F6 N6 O8 -","2","1","","Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L.","Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00793A","","","0.71073","MoKα","","0.052","0.0425","","","0.1098","0.1163","","","","","","1.068","","","","has coordinates","263288","2021-03-24","05:15:49",""
"7242514","11.1754","0.0005","10.0868","0.0004","23.6466","0.001","90","","101.827","0.0019","90","","2608.95","0.19","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C96 H80 F24 N24 O32 -","8","1","","Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L.","Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00793A","","","0.71073","MoKα","","0.0457","0.0371","","","0.0924","0.0976","","","","","","1.06","","","","has coordinates","263288","2021-03-24","05:15:50",""
"7242515","45.506","0.009","9.888","0.002","8.1578","0.0016","90","","93.89","0.03","90","","3662.3","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl2 Fe2 Mn N0 O7 -","- C34 H30 Cl2 Fe2 Mn O7 -","- C136 H120 Cl8 Fe8 Mn4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0803","0.0733","","","0.194","0.2014","","","","","","1.287","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242516","42.625","0.008","10.241","0.002","8.9462","0.0018","90","","94.72","0.03","90","","3892","1.3","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C46 H32 Cl2 Fe2 Mn N2 O4 -","- C184 H128 Cl8 Fe8 Mn4 N8 O16 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.113","0.0532","","","0.081","0.103","","","","","","1.016","","","","has coordinates,has disorder","265945","2021-06-05","18:08:01",""
"7242517","45.368","0.009","9.959","0.002","8.0659","0.0016","90","","94.54","0.03","90","","3632.9","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl2 Fe2 N0 Ni O7 -","- C34 H26 Cl2 Fe2 Ni O7 -","- C136 H104 Cl8 Fe8 Ni4 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.094","0.0697","","","0.1776","0.1999","","","","","","0.934","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242518","10.381","0.002","11.074","0.002","13.337","0.003","96.62","0.03","95.19","0.03","92.49","0.03","1514.5","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","- C60 H46 Cl2 F4 Fe2 N12 Ni2 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0659","0.0472","","","0.0812","0.089","","","","","","1.079","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242519","45.267","0.009","9.929","0.002","8.0513","0.0016","90","","94.33","0.03","90","","3608.4","1.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 Co Fe2 N0 O7 -","- C34 H24 Cl2 Co Fe2 O7 -","- C136 H96 Cl8 Co4 Fe8 O28 -","4","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.0714","0.0664","","","0.1662","0.1727","","","","","","1.003","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242520","10.349","0.002","11.287","0.002","13.426","0.003","96.99","0.03","94.89","0.03","92.12","0.03","1549.2","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","- C60 H46 Cl2 Co2 F4 Fe2 N12 O6 -","1","0.5","","Khan, Misbha Rafiq; Niu, Xiaoge; Chen, Tianling; Liu, Yan; Liu, Zhongyi; Liu, Bin; Zhang, Yuxia; Li, Jinpeng","Structural diversity and magnetic properties of six ferrocenyl monocarboxylate Mn(ii), Ni(ii) and Co(ii) complexes with 1D aqua, carboxyl or dinuclear hydroxyl bridges","CrystEngComm","2021","23","17","3185","3195","10.1039/D1CE00189B","","","0.71073","MoKα","","0.073","0.061","","","0.1628","0.1758","","","","","","0.895","","","","has coordinates","265945","2021-06-05","18:08:01",""
"7242521","9.33","0.002","10.12","0.003","12.688","0.003","101.561","0.008","90.354","0.01","98.996","0.008","1158.4","0.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0223","0.0202","","","0.0521","0.0533","","","","","","1.064","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242522","9.353","0.006","10.076","0.006","12.911","0.008","97.09","0.02","96.377","0.019","100.882","0.016","1174.4","1.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N2 O6 -","- C26 H20 Cd N2 O6 -","- C52 H40 Cd2 N4 O12 -","2","1","","Yang, Fan; Li, Ni Ya; Ge, Ye; Liu, Dong","Single-crystal to single-crystal transformation of a coordination chain to a two-dimensional coordination network through a photocycloaddition reaction","CrystEngComm","2021","23","15","2783","2787","10.1039/D1CE00230A","","","0.71073","MoKα","","0.0393","0.0315","","","0.0626","0.0649","","","","","","1.121","","","","has coordinates","264896","2021-05-05","08:29:27",""
"7242523","9.6073","0.0002","10.1391","0.0003","11.8289","0.0003","98.77","0.002","112.985","0.002","106.117","0.002","973.74","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cp-1","1","","- C21 H19 N3 O6 Zn -","- C21 H19 N3 O6 Zn -","- C42 H38 N6 O12 Zn2 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0305","0.0301","","","0.0789","0.0792","","","","","","1.068","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242524","9.5717","0.0005","10.0806","0.0004","11.8057","0.0006","99.281","0.004","112.617","0.005","105.83","0.004","965.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Co N3 O6 -","- C21 H19 Co N3 O6 -","- C42 H38 Co2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0651","0.062","","","0.1693","0.1713","","","","","","1.063","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242525","9.5406","0.0003","10.0775","0.0003","11.9021","0.0004","100.467","0.003","112.109","0.003","104.281","0.003","978.23","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Mn N3 O6 -","- C21 H19 Mn N3 O6 -","- C42 H38 Mn2 N6 O12 -","2","1","","Sun, Shuang-Li; Sun, Xi-Yu; Sun, Qian; Gao, En-Qing","Highly efficient fluorescent chemosensor for nitro antibiotic detection based on luminescent coordination polymers with 2,6-di(4-carboxyphenyl)pyrazine","CrystEngComm","2021","23","17","3167","3174","10.1039/D1CE00245G","","","1.54184","CuKα","","0.0354","0.0345","","","0.0965","0.0971","","","","","","1.156","","","","has coordinates","265943","2021-06-05","18:07:43",""
"7242526","12.5878","0.0006","12.6544","0.0006","13.1098","0.0006","106.319","0.003","105.558","0.002","107.521","0.003","1763.44","0.16","100","","100","","","","","","","","","4","P -1","-P 1","2","","Bismuth 2-phenylisobutyrate","","- C38 H49 Bi O8 -","- C38 H49 Bi O8 -","- C76 H98 Bi2 O16 -","2","1","","Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian","Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds","Green Chemistry","2021","23","7","2747","2755","10.1039/D1GC00446H","","","0.71073","MoKα","","0.0501","0.0412","","","0.0944","0.0986","","","","","","1.079","","","","has coordinates","264913","2021-05-05","08:49:44",""
"7242527","13.3571","0.0003","14.0806","0.0003","18.593","0.0003","90","","95.0534","0.0009","90","","3483.3","0.12","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H96 Bi2 Li4 N2 O20 -","- C54 H96 Bi2 Li4 N2 O20 -","- C108 H192 Bi4 Li8 N4 O40 -","2","0.5","","Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian","Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds","Green Chemistry","2021","23","7","2747","2755","10.1039/D1GC00446H","","","0.71073","MoKα","","0.0268","0.0227","","","0.0548","0.0562","","","","","","1.054","","","","has coordinates","264913","2021-05-05","08:49:46",""
"7242528","16.1427","0.0002","13.2582","0.0002","18.584","0.0002","90","","110.087","0.0006","90","","3735.47","0.08","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H102 Bi2 Li4 N4 O20 -","- C58 H102 Bi2 Li4 N4 O20 -","- C116 H204 Bi4 Li8 N8 O40 -","2","0.5","","Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian","Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds","Green Chemistry","2021","23","7","2747","2755","10.1039/D1GC00446H","","","0.71073","MoKα","","0.0215","0.0183","","","0.0409","0.0418","","","","","","1.079","","","","has coordinates","264913","2021-05-05","08:49:46",""
"7242529","14.3713","0.0002","17.9791","0.0002","15.3608","0.0002","90","","92.508","0.001","90","","3965.17","0.09","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H116 Bi2 Li4 N2 O20 -","- C64 H116 Bi2 Li4 N2 O20 -","- C128 H232 Bi4 Li8 N4 O40 -","2","0.5","","Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian","Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds","Green Chemistry","2021","23","7","2747","2755","10.1039/D1GC00446H","","","0.71073","MoKα","","0.0224","0.0182","","","0.0413","0.0429","","","","","","1.012","","","","has coordinates,has disorder","264913","2021-05-05","08:49:46",""
"7242530","24.0601","0.0012","18.8535","0.0009","22.3563","0.0012","90","","92.989","0.003","90","","10127.4","0.9","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C106 H119 Bi2 Li4 N3 O20 -","- C106 H119 Bi2 Li4 N3 O20 -","- C424 H476 Bi8 Li16 N12 O80 -","4","1","","Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian","Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds","Green Chemistry","2021","23","7","2747","2755","10.1039/D1GC00446H","","","0.71073","MoKα","","0.0385","0.0298","","","0.0669","0.07","","","","","","1.031","","","","has coordinates","264913","2021-05-05","08:49:46",""
"7242531","24.7978","0.0008","16.4792","0.0005","24.6871","0.0008","90","","103.624","0.001","90","","9804.5","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 Bi2 Li4 N2 O20 -","- C104 H116 Bi2 Li4 N2 O20 -","- C416 H464 Bi8 Li16 N8 O80 -","4","1","","Levent, Emre; Sala, Oliver; Wilm, Lukas F. B.; Löwe, Pawel; Dielmann, Fabian","Heterobimetallic complexes composed of bismuth and lithium carboxylates as polyurethane catalysts ‒ alternatives to organotin compounds","Green Chemistry","2021","23","7","2747","2755","10.1039/D1GC00446H","","","0.71073","MoKα","","0.0335","0.0235","","","0.0501","0.053","","","","","","1.015","","","","has coordinates,has disorder","264913","2021-05-05","08:49:46",""
"7242532","24.437","0.003","24.437","0.003","7.3579","0.0008","90","","90","","90","","4393.9","0.9","296.15","","296.15","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C24 H18 F3 N3 O2 -","- C24 H18 F3 N3 O2 -","- C192 H144 F24 N24 O16 -","8","1","","Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin","Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations","Green Chemistry","2021","23","8","2944","2949","10.1039/D1GC00889G","","","0.71073","MoKα","","0.1369","0.0753","","","0.2175","0.245","","","","","","1.109","","","","has coordinates,has disorder","264910","2021-05-05","08:48:44",""
"7242533","8.754","0.005","18.911","0.01","11.952","0.005","90","","104.763","0.013","90","","1913.3","1.7","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N3 O S -","- C23 H19 N3 O S -","- C92 H76 N12 O4 S4 -","4","1","","Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin","Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations","Green Chemistry","2021","23","8","2944","2949","10.1039/D1GC00889G","","","0.71073","MoKα","","0.0989","0.0501","","","0.1163","0.1386","","","","","","1.025","","","","has coordinates","264910","2021-05-05","08:48:47",""
"7242534","13.632","0.018","13.694","0.018","22.48","0.03","98.57","0.03","95.81","0.03","92.8","0.03","4120","9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 N3 O S -","- C23 H14 N3 O S -","- C184 H112 N24 O8 S8 -","8","4","","Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin","Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations","Green Chemistry","2021","23","8","2944","2949","10.1039/D1GC00889G","","","0.71073","MoKα","","0.2273","0.0746","","","0.1651","0.2275","","","","","","0.921","","","","has coordinates","264910","2021-05-05","08:48:57",""
"7242535","16.7906","0.0007","16.7906","0.0007","24.3807","0.001","90","","90","","120","","5952.6","0.4","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","[Mn3]2ppmd","","- C93 H93 Cl26 Mn6 N15 O28 -","- C87 H81 Cl14 Mn6 N15 O27.9998 -","- C174 H162 Cl28 Mn12 N30 O55.9996 -","2","0.166667","","Christou, George; Wernsdorfer, Wolfgang; Ghosh, Tuhin; Abboud, Khalil A.; Marbey, Jonathan; Hill, Stephen","Exchange-biased Quantum Tunnelling of Magnetization in a [Mn3]2 Dimer of Single-Molecule Magnets with Rare Ferromagnetic Inter-Mn3 Coupling","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06611G","","","0.71073","MoKα","","0.0665","0.0421","","","0.1037","0.1112","","","","","","1.04","","","","has coordinates,has disorder","263349","2021-03-26","05:15:54",""
"7242536","13.483","0.003","14.312","0.003","20.482","0.004","90","0.03","101.02","0.03","90","0.03","3879.5","1.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 Cl4 Co2 N24 O26 -","- C66 H68 Cl4 Co2 N24 O26 -","- C132 H136 Cl8 Co4 N48 O52 -","2","0.5","","Gao, Hang; Liu, Ka; Chang, Jin; Zhang, Juan","A cobalt complex with 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine: antiferromagnetic couple governed single-molecule-magnet behaviour","RSC Advances","2021","11","20","12183","12187","10.1039/D0RA10828F","","","1.34139","GaKα","","0.0654","0.0467","","","0.1106","0.1249","","","","","","1.049","","","","has coordinates","263350","2021-03-26","05:41:37",""
"7242537","5.6819","0.0005","7.7529","0.0007","14.9654","0.0012","93.713","0.003","97.789","0.003","95.423","0.003","648.22","0.1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 F O2 -","- C16 H12 F2 O -","- C32 H24 F4 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1175","0.056","","","0.1084","0.1353","","","","","","1.021","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242538","12.4423","0.0004","24.3784","0.0008","8.8538","0.0003","90","","114.025","0.001","90","","2452.91","0.14","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Cl2 F0.25 O6 -","- C30 H18 Cl2 F4 O2 -","- C120 H72 Cl8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0326","0.0294","","","0.0702","0.0726","","","","","","1.049","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242539","13.6767","0.0005","8.6874","0.0003","11.331","0.0004","90","","107.084","0.001","90","","1286.89","0.08","116","2","116.06","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C32 H22 F6 O2 -","- C32 H22 F6 O2 -","- C64 H44 F12 O4 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0559","0.0542","","","0.1156","0.1162","","","","","","1.271","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242540","13.9052","0.0011","3.7985","0.0003","23.3553","0.0018","90","","105.147","0.005","90","","1190.74","0.16","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 F3 O -","- C15 H9 F3 O -","- C60 H36 F12 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1904","0.1028","","","0.1856","0.2145","","","","","","1.211","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242541","9.0972","0.0009","11.7453","0.0013","13.5987","0.0015","115.013","0.004","92.409","0.004","91.562","0.004","1313.9","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 F4 O4 -","- C32 H24 F4 O4 -","- C64 H48 F8 O8 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0832","0.0466","","","0.0996","0.1199","","","","","","1.013","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242542","4.0121","0.0003","23.1292","0.0019","13.5026","0.0013","90","","96.284","0.003","90","","1245.47","0.18","298","2","297.89","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C60 H40 Br4 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1323","0.0773","","","0.1985","0.2314","","","","","","1.12","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242543","5.9906","0.0011","26.824","0.006","8.121","0.0018","90","","100.511","0.005","90","","1283.1","0.5","144","2","144.53","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 F4 O2 -","- C32 H24 F4 O2 -","- C64 H48 F8 O4 -","2","0.5","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1433","0.0848","","","0.2171","0.27","","","","","","1.002","","","","has coordinates,has disorder","268695","2021-09-06","10:34:10",""
"7242544","10.5214","0.0004","3.9362","0.0001","30.9616","0.0012","90","","91.344","0.002","90","","1281.9","0.08","298","2","297.89","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 F2 O2 -","- C16 H12 F2 O2 -","- C64 H48 F8 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0705","0.0476","","","0.1127","0.1277","","","","","","1.04","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242545","5.5139","0.0004","7.8716","0.0007","15.1925","0.0012","94.221","0.004","95.914","0.003","93.999","0.004","652.12","0.09","196","2","196.4","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 F3 O -","- C16 H11 F3 O -","- C32 H22 F6 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0835","0.0456","","","0.1124","0.1361","","","","","","1.039","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242546","25.053","0.003","5.7339","0.0008","8.0226","0.001","90","","95.745","0.005","90","","1146.7","0.3","100","2","100.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0632","0.0425","","","0.0787","0.0856","","","","","","1.051","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242547","25.2955","0.0018","11.9432","0.0009","34.778","0.002","90","","90","","90","","10506.8","1.2","100","2","99.92","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H20 Br2 F2 O2 -","- C30 H20 Br2 F2 O2 -","- C480 H320 Br32 F32 O32 -","16","2","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.0523","0.0336","","","0.068","0.0741","","","","","","1.016","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242548","5.8739","0.0007","7.4217","0.0009","14.0384","0.0018","90.767","0.005","97.082","0.004","92.597","0.004","606.59","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br F O -","- C15 H10 Br F O -","- C30 H20 Br2 F2 O2 -","2","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.033","0.0317","","","0.0876","0.0886","","","","","","1.06","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242549","12.606","0.005","24.432","0.01","9.056","0.003","90","","114.764","0.011","90","","2532.7","1.7","100","2","99.98","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H18 Br2 F4 O2 -","- C30 H18 Br2 F4 O2 -","- C120 H72 Br8 F16 O8 -","4","1","","Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran","Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals","CrystEngComm","2021","23","34","5856","5868","10.1039/D1CE00086A","","","0.71073","MoKα","","0.1053","0.0456","","","0.0777","0.0908","","","","","","0.952","","","","has coordinates","268695","2021-09-06","10:34:10",""
"7242550","12.06169","0.00012","15.09891","0.00015","21.2481","0.0002","90","","99.4856","0.001","90","","3816.76","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 Cl3 N4 S2 -","- C36 H57 Cl3 N4 S2 -","- C144 H228 Cl12 N16 S8 -","4","1","","Pomorski, Robert; García-Valverde, María; Quesada, Roberto; Chmielewski, Michał J.","Transmembrane anion transport promoted by thioamides","RSC Advances","2021","11","20","12249","12253","10.1039/D1RA01646F","","x-ray","1.54184","CuKα","","0.0457","0.0419","","","0.1179","0.1228","","","","","","1.063","","","","has coordinates","263387","2021-03-27","05:24:37",""
"7242551","7.5789","0.0018","9.937","0.002","11.529","0.003","106.045","0.006","104.318","0.007","99.588","0.006","782.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","{tetraaqua-bis(2,2'-dipyridylamine)-bis(mu-pyrazole-3,5-dicarbarboxylato)tricopper(II)}","","","- C30 H28 Cu3 N10 O12 -","- C30 H28 Cu3 N10 O12 -","- C30 H28 Cu3 N10 O12 -","1","0.5","","Klongdee, Fatima; Leelasubcharoen, Somying; Youngme, Sujittra; Boonmak, Jaursup","Sonochemical synthesis of a trinuclear Cu(ii) complex with open coordination sites for the differentiable optical detection of volatile amines","RSC Advances","2021","11","20","12218","12226","10.1039/D1RA01151K","","","0.71073","MoKα","","0.1535","0.0894","","","0.2246","0.2598","","","","","","1.071","","","","has coordinates","263388","2021-03-27","05:24:53",""
"7242552","4.0612","0.0005","25.692","0.004","8.6053","0.0011","90","","93.36","0.004","90","","896.3","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 N4 O4 -","- C24 H12 N4 O4 -","- C48 H24 N8 O8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.0872","0.0483","","","0.1084","0.1243","","","","","","1.027","","","","has coordinates","265983","2021-06-05","18:18:22",""
"7242553","13.339","0.005","5.493","0.002","25.88","0.008","90","","116.314","0.017","90","","1699.8","1.1","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C64 H72 N8 O16 S8 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2195","0.0712","","","0.1352","0.1765","","","","","","0.992","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242554","5.4179","0.0005","20.3687","0.0017","12.2934","0.001","90","","100.926","0.003","90","","1332.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 O6 -","- C30 H26 N6 O6 -","- C60 H52 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.2102","0.108","","","0.2597","0.3167","","","","","","1.037","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242555","5.3112","0.0014","23.855","0.007","11.619","0.003","90","","99.885","0.008","90","","1450.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N6 O6 -","- C34 H30 N6 O6 -","- C68 H60 N12 O12 -","2","0.5","","Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong","The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules","CrystEngComm","2021","23","18","3356","3363","10.1039/D0CE01733G","","","0.71073","MoKα","","0.1801","0.0691","","","0.1169","0.1478","","","","","","1.007","","","","has coordinates","265983","2021-06-05","18:18:23",""
"7242556","10.1841","0.0003","9.5035","0.0004","21.6676","0.0011","90","","91.787","0.004","90","","2096.07","0.15","288.63","0.1","288.63","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H18 Cd N2 O5.5 -","- C22 H16 Cd N2 O5.5 -","- C88 H64 Cd4 N8 O22 -","4","1","","Qin, Wen-Jing; Zhang, Ji-Rui; Tian, Xu-Ke; Yang, Xiao-Gang; Guo, Yu-Ming","Donor‒acceptor structure of a coordination polymer with long-lived room temperature phosphorescence and angle-dependent polarized emission","CrystEngComm","2021","23","17","3094","3098","10.1039/D1CE00303H","","x-ray","0.71073","MoKα","","0.076","0.0601","","","0.1801","0.1916","","","","","","1.063","","","","has coordinates,has disorder","265944","2021-06-05","18:07:49",""
"7242557","8.2434","0.0004","13.7798","0.0007","16.7261","0.0008","90","","96.059","0.003","90","","1889.34","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cl2 N14 Ni2 O8 -","- C28 H48 Cl2 N14 Ni2 O8 -","- C56 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0789","0.0452","","","0.0912","0.1054","","","","","","1.015","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242558","8.179","0.0006","27.2301","0.0018","9.5177","0.0007","90","","100.369","0.003","90","","2085.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl2 N14 Ni2 O8 -","- C32 H48 Cl2 N14 Ni2 O8 -","- C64 H96 Cl4 N28 Ni4 O16 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.058","0.0368","","","0.0746","0.0824","","","","","","1.059","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242559","8.3729","0.0009","13.604","0.0014","16.8216","0.0019","90","","94.39","0.004","90","","1910.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N10 Ni2 O10 -","- C30 H48 Cl2 N10 Ni2 O10 -","- C60 H96 Cl4 N20 Ni4 O20 -","2","0.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.093","0.0501","","","0.1035","0.1184","","","","","","1.026","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242560","26.3729","0.0018","43.882","0.004","20.6839","0.0016","90","","90","","90","","23937","3","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H52 Cl2 N14 Ni2 O8 -","- C30 H52 Cl2 N14 Ni2 O8 -","- C720 H1248 Cl48 N336 Ni48 O192 -","24","1.5","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.1392","0.0974","","","0.2417","0.2737","","","","","","1.027","","","","has coordinates","265985","2021-06-05","18:18:59",""
"7242561","15.0146","0.0011","15.3326","0.001","18.7906","0.0014","106.124","0.002","106.924","0.002","91.258","0.002","3950.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H115 N25 Ni4 O8 -","- C70 H115 N25 Ni4 O8 -","- C140 H230 N50 Ni8 O16 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.05","0.0323","","","0.0733","0.0811","","","","","","1.026","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242562","15.0212","0.0011","15.3518","0.0012","18.7416","0.0014","106.273","0.003","106.932","0.003","91.228","0.003","3943.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H115 N17 Ni4 O12 -","- C74 H115 N17 Ni4 O12 -","- C148 H230 N34 Ni8 O24 -","2","1","","Adak, Sarmistha; Sun, Yu-Chen; Jana, Narayan Ch.; Brandão, Paula; Wang, Xin-Yi; Panja, Anangamohan","Tuneable structures and magnetic properties of pseudohalo-bridged dinuclear Ni(ii) complexes derived from {N4} and {N3O} donor ligands","CrystEngComm","2021","23","18","3371","3382","10.1039/D1CE00202C","","","0.71073","MoKα","","0.0464","0.0323","","","0.0695","0.0756","","","","","","1.019","","","","has coordinates,has disorder","265985","2021-06-05","18:18:59",""
"7242563","15.6255","0.001","6.0517","0.0004","47.672","0.004","90","","90","","90","","4507.9","0.6","297","2","297","2","","","","","","","","3","P n a 21","P 2c -2n","33","TBOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C232 H192 N32 -","8","2","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","","1.54178","CuKα","","0.0754","0.0637","","","0.173","0.192","","","","","","1.022","","","","has coordinates","264894","2021-05-05","08:28:35",""
"7242564","19.462","0.002","5.2101","0.0004","26.144","0.003","90","","105.318","0.011","90","","2556.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","TBMP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C29 H24 N4 -","- C29 H24 N4 -","- C116 H96 N16 -","4","0.5","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0835","0.0625","","","0.1699","0.1843","","","","","","1.036","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242565","9.4388","0.0006","9.4605","0.0005","12.5876","0.0008","94.094","0.005","103.85","0.005","105.273","0.005","1041.89","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","PHZMP","2,8-bis((E)-2-(pyridin-3-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C56 H48 N8 -","2","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","0.71073","MoKα","","0.0828","0.0625","","","0.1599","0.1832","","","","","","1.033","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242566","4.8535","0.0006","37.442","0.005","11.8808","0.001","90","","101.043","0.01","90","","2119.1","0.4","100","0.1","100","0.1","","","","","","","","3","C 1 c 1","C -2yc","9","PHZOP","2,8-bis((E)-2-(pyridin-2-yl)vinyl)-5,6,11,12-tetrahydrodibenzo[b,f][1,5]diazocine","","- C28 H24 N4 -","- C28 H24 N4 -","- C112 H96 N16 -","4","1","","Wu, Jiasheng; Zou, Jiacheng; Zhuge, Xiangxue; Jia, Zhitai; Lin, Na; Yuan, Chunxue","Design, synthesis, and characterization of pyridine-containing organic crystals with different substitution positions using solvothermal method","CrystEngComm","2021","23","17","3152","3159","10.1039/D1CE00165E","","x-ray","1.54184","CuKα","","0.0812","0.0719","","","0.1877","0.204","","","","","","1.021","","","","has coordinates","264894","2021-05-05","08:28:47",""
"7242567","10.159","0.0008","11.0042","0.0006","11.2516","0.001","74.652","0.006","66.351","0.008","79.654","0.005","1107.27","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 Cd2 N2 O8 -","- C26 H14 Cd2 N2 O8 -","- C52 H28 Cd4 N4 O16 -","2","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.0545","0.0456","","","0.1148","0.1201","","","","","","1.07","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242568","7.6065","0.0001","13.9939","0.0003","20.8616","0.0004","90","","91.09","0.002","90","","2220.2","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd2 O12 -","- C16 H14 Cd2 O12 -","- C64 H56 Cd8 O48 -","4","1","","Wu, Yu; Zhong, Yuyu; Kang, Weiyi; Liu, Yiwei; Yang, Tingting; Zhou, Mi; Zhou, Luyi","Two new luminescent Cd(ii)-based coordination polymers by regulating the asymmetrical tetracarboxylate and auxiliary ligands displaying high sensitivity for Fe3+ and CrO42−","CrystEngComm","2021","23","19","3460","3466","10.1039/D1CE00310K","","x-ray","1.54184","CuKα","","0.037","0.0307","","","0.0787","0.0811","","","","","","1.068","","","","has coordinates","265954","2021-06-05","18:10:23",""
"7242569","21.2513","0.0007","15.2436","0.0005","24.1678","0.0008","90","","106.388","0.001","90","","7511","0.4","150.15","","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 N8 O48 W12 Zn2 -","- C40 H52 N8 O48 W12 Zn2 -","- C160 H208 N32 O192 W48 Zn8 -","4","0.5","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.0299","0.0293","","","0.0695","0.0698","","","","","","1.267","","","","has coordinates,has disorder","268666","2021-09-06","10:27:56",""
"7242570","14.296","0.006","15.241","0.006","16.158","0.007","90","","99.738","0.014","90","","3470","3","273.15","","273.15","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C36 H25 Cu N12 O42 W12 Zn -","- C36 H32 Cu N12 O42 W12 Zn -","- C72 H64 Cu2 N24 O84 W24 Zn2 -","2","1","","Zhang, Ying-Ying; Hu, Mingjun; Shao, Zhichao; Huang, Chao; Qin, Qi; Mi, Liwei","Keggin-type polyoxometalate-containing metal‒organic hybrids as friction materials for triboelectric nanogenerators","CrystEngComm","2021","23","30","5184","5189","10.1039/D1CE00332A","","","0.71073","MoKα","","0.041","0.0366","","","0.0815","0.0844","","","","","","1.038","","","","has coordinates","268666","2021-09-06","10:27:56",""
"7242571","12.5419","0.0005","22.4521","0.0009","11.6246","0.0005","90","","109.951","0.001","90","","3076.9","0.2","296","2","296","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C32 H46 Cu2 Ge N12 O48 W12 -","- C32 H26.94 Cu2 Ge N12 O43.4 W12 -","- C64 H53.88 Cu4 Ge2 N24 O86.8 W24 -","2","0.5","","Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan","Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes","Green Chemistry","2021","23","8","3104","3114","10.1039/D1GC00692D","","","0.71073","MoKα","","0.0774","0.0579","","","0.1378","0.1487","","","","","","1.046","","","","has coordinates","264908","2021-05-05","08:48:19",""
"7242572","12.203","0.005","13.495","0.005","14.262","0.005","104.873","0.005","111.48","0.005","105.681","0.005","1931.3","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 Cu5 Ge N30 O44 W12 -","- C36 H24 Cu5 Ge N30 O46 W12 -","- C36 H24 Cu5 Ge N30 O46 W12 -","1","0.5","","Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan","Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes","Green Chemistry","2021","23","8","3104","3114","10.1039/D1GC00692D","","","0.71069","MoKα","","0.1124","0.0934","","","0.1908","0.2006","","","","","","1.094","","","","has coordinates","264908","2021-05-05","08:48:19",""
"7242573","9.2148","0.0014","28.241","0.005","10.6998","0.0014","90","","109.745","0.004","90","","2620.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl Ir N4 O -","- C32 H22 Cl Ir N4 O -","- C128 H88 Cl4 Ir4 N16 O4 -","4","1","","Pradhan, Kahnu Charan; Kisan, Hemanta K.; Pal, Satyanarayan","Unexpected ortho C‒H bond activation in coordinated 7,8-benzoquinoline: synthesis and characterisation of heteroleptic Ir(iii)-7,8-benzoquinoline complexes","RSC Advances","2021","11","21","12578","12582","10.1039/D1RA00860A","","","0.71073","MoKα","","0.0636","0.0336","","","0.0551","0.0609","","","","","","1.026","","","","has coordinates","263481","2021-03-31","04:42:30",""
"7242574","17.1647","0.0006","17.1647","0.0006","23.1194","0.0011","90","","90","","90","","6811.6","0.5","150","2","150","2","","","","","","","","4","P 41","P 4w","76","","","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C312 H240 N96 O24 -","24","6","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0692","0.0545","","","0.1257","0.1386","","","","","","1.048","","","","has coordinates","265942","2021-06-05","18:07:34",""
"7242575","3.8425","0.0001","21.4042","0.0008","15.2608","0.0006","90","","96.8753","0.0012","90","","1246.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0457","0.0387","","","0.1024","0.1082","","","","","","1.06","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242576","22.1904","0.0017","4.7324","0.0004","27.12","0.002","90","","109.172","0.005","90","","2690","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0506","0.0381","","","0.0891","0.0971","","","","","","1.071","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242577","11.5655","0.001","3.9863","0.0004","28.977","0.003","90","","100.713","0.002","90","","1312.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0757","0.0477","","","0.1119","0.1285","","","","","","1.029","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242578","3.8994","0.0002","21.1784","0.0011","8.9913","0.0005","90","","102.301","0.0017","90","","725.48","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H13 N5 O5 -","- C15 H13 N5 O5 -","- C30 H26 N10 O10 -","2","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.7288","synchrotron","","0.0437","0.041","","","0.0888","0.0913","","","","","","1.073","","","","has coordinates","265942","2021-06-05","18:07:35",""
"7242579","7.4264","0.0004","26.8268","0.0016","5.6645","0.0003","90","","90","","90","","1128.52","0.11","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H9 F N4 O -","- C13 H9 F N4 O -","- C52 H36 F4 N16 O4 -","4","0.5","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","1.54178","CuKα","","0.0351","0.0325","","","0.0771","0.0799","","","","","","1.109","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242580","28.9051","0.0018","3.9102","0.0002","11.6155","0.0007","90","","108.226","0.003","90","","1246.97","0.13","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H11 F N4 O2 -","- C14 H11 F N4 O2 -","- C56 H44 F4 N16 O8 -","4","1","","Reason, Thomas E.; Goka, Benjamin; Krause, Jeanette A.; Fionah, Abelline K.; Zahran, Elsayed M.; Rayat, Sundeep","Cu2O nanoparticle-catalyzed synthesis of diaryl tetrazolones and investigation of their solid-state properties","CrystEngComm","2021","23","17","3220","3229","10.1039/D1CE00119A","","","0.71073","MoKα","","0.0301","0.0286","","","0.0739","0.0755","","","","","","1.054","","","","has coordinates,has disorder","265942","2021-06-05","18:07:35",""
"7242581","8.5565","0.0011","10.5456","0.0016","17.147","0.002","96.105","0.004","99.219","0.004","94.937","0.004","1510.2","0.3","170","2","170.02","","","","","","","","","5","P 1","P 1","1","remdesivir","","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","2","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","x-ray","1.34139","GaKα","","0.2598","0.1215","","","0.2953","0.3938","","","","","","0.996","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242582","10.5286","0.0017","12.809","0.002","11.1106","0.0019","90","","100.022","0.005","90","","1475.5","0.4","170","2","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","Remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Yu, Kaxi; Chen, Shuai; Amgoth, Chander; Tang, Guping; Bai, Hongzhen; Hu, Xiurong","Two polymorphs of remdesivir: crystal structure, solubility, and pharmacokinetic study","CrystEngComm","2021","23","16","2923","2927","10.1039/D1CE00175B","","","0.71073","MoKα","","0.0622","0.0576","","","0.1508","0.1554","","","","","","1.074","","","","has coordinates","265961","2021-06-05","18:11:39",""
"7242583","7.7605","0.0002","7.3336","0.0001","8.9393","0.0002","90","","115.115","0.003","90","","460.66","0.02","293","2","298","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(1.5H2O)","","- Ca H3 Ni2 O10.5 Se3 -","- Ca H3 Ni2 O10.5 Se3 -","- Ca2 H6 Ni4 O21 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0267","0.025","","","0.0645","0.0652","","","","","","1.098","","","","has coordinates,has disorder","265938","2021-06-05","18:06:52",""
"7242584","7.8568","0.0004","7.3734","0.0003","8.9697","0.0006","90","","114.275","0.007","90","","473.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","CaNi2(SeO3)3(2H2O)","","- Ca H4 Ni2 O11 Se3 -","- Ca H3.999 Ni2 O10.999 Se3 -","- Ca2 H7.998 Ni4 O21.998 Se6 -","2","0.5","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0531","0.0358","","","0.0652","0.0701","","","","","","1.033","","","","has coordinates,has disorder","265938","2021-06-05","18:06:53",""
"7242585","7.3759","0.0003","10.9715","0.0005","10.2189","0.0003","90","","90","","90","","826.96","0.06","297","2","297","","","","","","","","","4","C m c m","-C 2c 2","63","","CaNi2(SeO3)3","","- Ca Ni2 O9 Se3 -","- Ca Ni2 O9 Se3 -","- Ca4 Ni8 O36 Se12 -","4","0.25","","Huang, Xing; Zhao, Zhiying; Zhang, Mengsi; He, Zhangzhen","Crystal-to-crystal transformation of a new selenite compound CaNi2(SeO3)3·2H2O induced by dehydration","CrystEngComm","2021","23","17","3126","3132","10.1039/D1CE00190F","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0687","0.0697","","","","","","1.147","","","","has coordinates","265938","2021-06-05","18:06:53",""
"7242586","5.8505","0.0012","11.594","0.002","16.205","0.003","90","","90","","90","","1099.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0888","0.0767","","","0.1348","0.1387","","","","","","1.23","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242587","62.21","0.008","17.713","0.002","5.2259","0.0007","90","","90","","90","","5758.6","1.3","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","ORGANIC","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C256 H224 Cl16 N16 O48 -","16","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.1448","0.0635","","","0.1328","0.173","","","","","","1.009","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242588","8.3175","0.0011","10.2481","0.0016","10.9658","0.0017","90","","98.059","0.005","90","","925.5","0.2","122","2","122","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0725","0.0604","","","0.1858","0.1953","","","","","","1.135","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242589","8.4593","0.0005","5.8691","0.0004","30.718","0.002","90","","97.42","0.002","90","","1512.33","0.17","305","2","305","2","","","","","","","","4","P 1 c 1","P -2yc","7","ORGANIC","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","2","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0661","0.0511","","","0.1309","0.143","","","","","","1.043","","","","has coordinates","263545","2021-04-02","04:26:38",""
"7242590","5.1638","0.0003","19.306","0.0012","27.209","0.002","90","","90","","90","","2712.5","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ORGANIC","","","- C128 H120 N8 O24 -","- C128 H120 N8 O24 -","- C128 H120 N8 O24 -","1","0.25","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.2041","0.0621","","","0.1019","0.1476","","","","","","0.994","","","","has coordinates","263545","2021-04-02","04:26:38",""
"7242591","14.406","0.003","16.682","0.003","25.02","0.005","90","","90","","90","","6013","2","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34.5 N5.5 O7 S2 -","- C22 H34.5 N5.5 O7 S2 -","- C176 H276 N44 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0488","0.0465","","","0.1222","0.1241","","","","","","1.018","","","","has coordinates","265957","2021-06-05","18:11:01",""
"7242592","19.556","0.003","19.556","0.003","17.153","0.003","90","","90","","90","","6559.9","1.8","113","2","113.15","","","","","","","","","5","P 43","P 4cw","78","","","","- C22 H36 N4 O7 S2 -","- C22 H36 N4 O7 S2 -","- C176 H288 N32 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0977","0.079","","","0.2008","0.2148","","","","","","1.066","","","","has coordinates","265957","2021-06-05","18:11:02",""
"7242593","14.1543","0.0003","16.755","0.0004","23.7148","0.0006","90","","90","","90","","5624.1","0.2","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H70 N8 O16 S4 -","- C41 H70 N8 O16 S4 -","- C164 H280 N32 O64 S16 -","4","1","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","x-ray","0.71073","MoKα","","0.046","0.042","","","0.1043","0.1066","","","","","","1.039","","","","has coordinates,has disorder","265957","2021-06-05","18:11:02",""
"7242594","6.9349","0.0019","7.1467","0.0015","9.558","0.002","71.817","0.006","84.968","0.008","70.026","0.008","422.89","0.17","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.2083","0.1819","","","0.4492","0.4751","","","","","","1.653","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242595","6.9361","0.0007","7.1569","0.0006","9.5654","0.0009","71.825","0.003","84.915","0.003","69.902","0.003","423.58","0.07","296","","296","","","","","","","","","4","P -1","-P 1","2","","7-Amino-4-methylcoumarin","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C20 H18 N2 O4 -","2","1","","Sasaki, Toshiyuki; Ranjan, Subham; Takamizawa, Satoshi","A photoluminescent organosuperelastic crystal of 7-amino-4-methylcoumarin","CrystEngComm","2021","23","34","5801","5804","10.1039/D1CE00359C","","","0.71073","MoKα","","0.0803","0.0632","","","0.1731","0.1973","","","","","","1.06","","","","has coordinates","268676","2021-09-06","10:30:02",""
"7242596","13.979","0.002","12.436","0.002","16.164","0.003","90","","90.613","0.003","90","","2809.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Co3 N6 O20 -","- C52 H52 Co3 N6 O20 -","- C104 H104 Co6 N12 O40 -","2","0.5","","Wu, Yun-Long; Yang, Rong-Rong; Yang, Guo-Ping; Yan, Yang-Tian; Su, Xiao-Lei; He, Xin-Hai; Song, Yan-Yan; Ma, Zheng-Sheng; Wang, Yao-Yu","A new porous Co(ii)-metal‒organic framework for high sorption selectivity and affinity to CO2 and efficient catalytic oxidation of benzyl alcohols to benzaldehydes","CrystEngComm","2021","23","20","3717","3723","10.1039/D1CE00250C","","","0.71073","MoKα","","0.0658","0.0478","","","0.1333","0.1447","","","","","","1.06","","","","has coordinates","265962","2021-06-05","18:11:45",""
"7242597","13.0833","0.0003","7.64625","0.00015","24.185","0.0005","90","","90","","90","","2419.42","0.09","150","2","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0478","0.0377","","","0.0943","0.1038","","","","","","1.039","","","","has coordinates","265939","2021-06-05","18:07:04",""
"7242598","11.3261","0.0003","15.5298","0.0004","8.0963","0.0002","90","","105.26","0.003","90","","1373.86","0.06","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0398","0.0347","","","0.0887","0.0942","","","","","","1.034","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242599","14.5352","0.0004","11.5897","0.0003","14.2576","0.0006","90","","102.137","0.003","90","","2348.13","0.14","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C120 H88 N8 O24 -","8","2","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0753","0.0476","","","0.1139","0.1347","","","","","","1.003","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242600","5.55659","0.00018","10.0324","0.0003","22.5154","0.0007","90","","92.49","0.003","90","","1253.96","0.07","150","2","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0475","0.0366","","","0.0949","0.1031","","","","","","1.026","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242601","7.6398","0.001","12.74","0.002","13.6472","0.0019","90","","99.618","0.013","90","","1309.6","0.3","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0942","0.0638","","","0.1526","0.1739","","","","","","1.087","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242602","25.2543","0.001","5.1328","0.0002","9.8457","0.0004","90","","90","","90","","1276.25","0.09","150","2","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Zia, Mehwash; Hameed, Shahid; Frontera, Antonio; Irran, Elisabeth; Naseer, Muhammad Moazzam","Understanding the planar conformations in diarylsubstituted heteroarenes: structural and theoretical insights","CrystEngComm","2021","23","17","3144","3151","10.1039/D1CE00354B","","x-ray","1.54184","CuKα","","0.0462","0.0417","","","0.1054","0.1109","","","","","","1.099","","","","has coordinates","265939","2021-06-05","18:07:05",""
"7242603","12.8565","0.0004","13.5028","0.0005","20.6644","0.0006","72.641","0.003","75.515","0.002","84.414","0.002","3314.1","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene coordination complex with Sr(II)","","","- C61 H79 O39.5 Sr -","- C61 H66 O39.54 Sr -","- C122 H132 O79.08 Sr2 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0948","0.0805","","","0.1923","0.1987","","","","","","1.071","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242604","22.583","0.0011","23.6561","0.0006","26.736","0.0011","90","","95.186","0.005","90","","14224.6","1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carboxylated pillar[5]arene coordination complex with Sr(II) and phenanthroline","","","- C124 H136 N2 O77.5 Sr4 -","- C123.008 H94.506 N2 O77.499 Sr4 -","- C492.032 H378.024 N8 O309.996 Sr16 -","4","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.5418","CuKα","","0.1949","0.1146","","","0.2891","0.368","","","","","","0.997","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242605","13.9854","0.0006","14.3768","0.0005","23.0984","0.0009","73.904","0.003","72.539","0.004","64.366","0.004","3935.1","0.3","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","carboxylated pillar[5]arene exclusion complex with phenanthroline","","","- C82.5 H86 N4 O36.3 -","- C82.472 H76.416 N4 O36.308 -","- C164.944 H152.832 N8 O72.616 -","2","1","","Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana","Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities","CrystEngComm","2021","23","18","3265","3269","10.1039/D1CE00334H","","","1.54184","CuKα","","0.0995","0.0906","","","0.2682","0.278","","","","","","1.042","","","","has coordinates,has disorder","265988","2021-06-05","18:19:44",""
"7242606","13.6055","0.0005","21.8372","0.0008","11.304","0.0004","90","","103.757","0.004","90","","3262.1","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H54 Eu2 N8 O12 -","- C80 H54 Eu2 N8 O12 -","- C160 H108 Eu4 N16 O24 -","2","0.5","","Ruan, Zhong-Yu; Lu, Yong-Fang; Lv, Xi; Wu, Jian-Zhong; Ou, Yong-Cong; Cai, Yue-Peng","Synthesis of a Eu complex based on benzonitrile hydrolysis as the first luminescent probe for clinafloxacin","CrystEngComm","2021","23","19","3602","3608","10.1039/D1CE00315A","","","0.71073","MoKα","","0.0395","0.0314","","","0.0606","0.0642","","","","","","1.077","","","","has coordinates","265955","2021-06-05","18:10:30",""
"7242607","19.048","0.0011","9.6054","0.0004","17.9497","0.0009","90","","116.283","0.003","90","","2944.6","0.3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0327","0.0285","","","0.0564","0.0576","","","","","","1.066","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242608","18.9531","0.0015","9.568","0.0006","17.8641","0.0013","90","","116.077","0.004","90","","2909.8","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0235","0.0217","","","0.0477","0.0482","","","","","","1.095","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242609","19.001","0.011","9.557","0.004","17.951","0.009","90","","116.38","0.03","90","","2920","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0751","0.0564","","","0.1025","0.1093","","","","","","1.064","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242610","19.022","0.002","9.5893","0.0008","17.9373","0.0017","90","","116.148","0.005","90","","2937.1","0.5","102","2","102","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 N20 O29 Pr2 -","- C36 H56 N20 O29 Pr2 -","- C72 H112 N40 O58 Pr4 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0388","0.0338","","","0.0665","0.068","","","","","","1.086","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242611","19.095","0.0013","9.592","0.0006","17.9594","0.0012","90","","116.394","0.004","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 Ce2 N20 O29 -","- C36 H56 Ce2 N20 O29 -","- C72 H112 Ce4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0413","0.0382","","","0.0816","0.083","","","","","","1.114","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242612","19.0674","0.0013","9.5986","0.0006","17.9747","0.0013","90","","116.405","0.003","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H64 La2 N20 O29 -","- C36 H56 La2 N20 O29 -","- C72 H112 La4 N40 O58 -","2","0.5","","Kuk, Yunseung; Ok, Kang Min","Homochiral three-dimensional noncentrosymmetric lanthanide coordination polymers directed by chiral linkers: syntheses, crystal structures, and optical properties","CrystEngComm","2021","23","20","3701","3709","10.1039/D1CE00281C","","","0.71073","MoKα","","0.0226","0.022","","","0.0508","0.051","","","","","","1.119","","","","has coordinates","265963","2021-06-05","18:11:57",""
"7242613","18.1423","0.0006","17.5195","0.0005","23.9371","0.0009","90","","106.001","0.003","90","","7313.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H88 N4 Ni O4 -","- C70 H88 N4 Ni O4 -","- C280 H352 N16 Ni4 O16 -","4","1","","Nasibipour, Mina; Safaei, Elham; Moaddeli, Ali; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej","Biradical o-iminobenzosemiquinonato(1−) complexes of nickel(ii): catalytic activity in three-component coupling of aldehydes, amines and alkynes","RSC Advances","2021","11","21","12845","12859","10.1039/D0RA10248B","","","0.71073","MoKα","","0.1017","0.0614","","","0.1418","0.1716","","","","","","1.041","","","","has coordinates","263936","2021-04-07","04:38:15",""
"7242614","7.1154","0.0007","9.6387","0.0008","10.8333","0.0009","93.473","0.007","98.583","0.007","109.416","0.008","688.03","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 N O -","- C18 H13 N O -","- C36 H26 N2 O2 -","2","1","","Li, Wenjing; Li, Shun; Luo, Lihua; Ge, Yicen; Xu, Jiaqi; Zheng, Xueli; Yuan, Maolin; Li, Ruixiang; Chen, Hua; Fu, Haiyan","Visible-light-initiated catalyst-free oxidative cleavage of (Z)-triaryl-substituted alkenes containing pyridyl motif under ambient conditions","Green Chemistry","2021","23","10","3649","3655","10.1039/D1GC00716E","","","0.71073","MoKα","","0.0737","0.0502","","","0.1137","0.1315","","","","","","1.033","","","","has coordinates","266112","2021-06-05","19:11:38",""
"7242615","5.9149","0.0002","8.0004","0.0002","11.2008","0.0003","90","","101.679","0.003","90","","519.07","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br2 O2 -","- C9 H10 Br2 O2 -","- C18 H20 Br4 O4 -","2","1","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","0.71073","MoKα","","0.0329","0.03","","","0.0693","0.0706","","","","","","1.058","","","","has coordinates","263964","2021-04-08","04:24:31",""
"7242616","8.3048","0.0001","9.2603","0.0002","27.0823","0.0007","90","","90","","90","","2082.76","0.07","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br O2 -","- C10 H13 Br O2 -","- C80 H104 Br8 O16 -","8","2","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","0.71073","MoKα","","0.0257","0.0229","","","0.0499","0.0507","","","","","","1.013","","","","has coordinates","263964","2021-04-08","04:24:32",""
"7242617","10.45924","0.00004","10.51707","0.00004","22.10012","0.00008","90","","90","","90","","2431.03","0.016","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Br2 Cl2 O4 -","- C22 H28 Br2 Cl2 O4 -","- C88 H112 Br8 Cl8 O16 -","4","1","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0432","0.0432","","","","","","1.08","","","","has coordinates","263964","2021-04-08","04:24:32",""
"7242618","17.7729","0.0017","19.2994","0.0018","7.3793","0.0008","90","","95.972","0.001","90","","2517.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Cl4 N2 O4 -","- C26 H21 Cl4 N2 O4 -","- C104 H84 Cl16 N8 O16 -","4","1","","Liu, Xu; Liu, Chang; Cheng, Xu","Ring-contraction of hantzsch esters and their derivatives to pyrroles via electrochemical extrusion of ethyl acetate out of aromatic rings","Green Chemistry","2021","23","9","3468","3473","10.1039/D1GC00487E","","","0.71073","MoKα","","0.1707","0.0782","","","0.1561","0.175","","","","","","1.031","","","","has coordinates","266115","2021-06-05","19:12:04",""
"7242619","18.7765","0.0012","5.7331","0.0004","17.6642","0.001","90","","107.791","0.007","90","","1810.6","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","1","","Yakali, Gul","Examination of Aggregation Induced Enhanced Emission in a Propeller Shaped Chiral- Nonconjugated Blue Emitter from Restricted Intramolecular Rotation and J Type π⋯π Stacking Interactions","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06690G","","x-ray","0.71073","MoKα","","0.0588","0.0416","","","0.0876","0.0975","","","","","","1.02","","","","has coordinates","263997","2021-04-09","03:53:10",""
"7242620","12.267","0.003","20.24","0.004","9.2785","0.0019","90","","109.14","0.03","90","","2176.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O -","- C28 H31 N O -","- C112 H124 N4 O4 -","4","1","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.1278","0.105","","","0.1718","0.1835","","","","","","1.058","","","","has coordinates","263998","2021-04-09","04:18:27",""
"7242621","9.4813","0.0019","10.352","0.002","12.04","0.002","89.89","0.03","85.67","0.03","82.32","0.03","1167.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O -","- C29 H33 N O -","- C58 H66 N2 O2 -","2","1","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.06","0.0568","","","0.1323","0.1345","","","","","","1.041","","","","has coordinates","263998","2021-04-09","04:18:28",""
"7242622","9.2698","0.0019","18.914","0.004","21.689","0.004","90","","93.87","0.03","90","","3794","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C200 H184 N8 O8 -","8","2","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.1291","0.1071","","","0.2185","0.2384","","","","","","1.005","","","","has coordinates","263998","2021-04-09","04:18:28",""
"7242623","8.9047","0.0018","11.867","0.002","13.494","0.003","94.56","0.03","104.52","0.03","107.73","0.03","1295.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 Al2 N2 O2 -","- C54 H60 Al2 N2 O2 -","- C54 H60 Al2 N2 O2 -","1","0.5","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.0584","0.0504","","","0.1216","0.1261","","","","","","1.029","","","","has coordinates","263998","2021-04-09","04:18:28",""
"7242624","6.6947","0.0003","13.0994","0.0005","13.5996","0.0005","94.514","0.001","92.68","0.001","103.521","0.001","1153.37","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 N4 O9 Ru S3 -","- C14 H26 N4 O9 Ru S3 -","- C28 H52 N8 O18 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O.","Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex","RSC Advances","2021","11","22","13183","13192","10.1039/D1RA01696B","","","0.71073","MoKα","","0.0332","0.0325","","","0.0846","0.0851","","","","","","1.062","","","","has coordinates","263999","2021-04-09","04:19:11",""
"7242625","6.6653","0.0003","13.1237","0.0006","13.6781","0.0006","94.45","0.001","92.62","0.001","103.417","0.001","1157.8","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 N4 O9 Ru S3 -","- C14 H26 N4 O9 Ru S3.001 -","- C28 H52 N8 O18 Ru2 S6.002 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O.","Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex","RSC Advances","2021","11","22","13183","13192","10.1039/D1RA01696B","","","0.71073","MoKα","","0.0372","0.0361","","","0.0925","0.0937","","","","","","1.068","","","","has coordinates,has disorder","263999","2021-04-09","04:19:12",""
"7242626","9.6083","0.001","12.3397","0.0013","13.1345","0.0014","106.969","0.002","108.15","0.002","105.806","0.002","1297.4","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Co Mo4 N6 O15 -","- C16 H16 Co Mo4 N6 O15 -","- C32 H32 Co2 Mo8 N12 O30 -","2","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","x-ray","0.71073","MoKα","K-L~3~","0.1041","0.058","","","0.138","0.1606","","","","","","1.033","","","","has coordinates,has disorder","268663","2021-09-06","10:27:21",""
"7242627","15.892","0.002","16.61","0.002","16.579","0.002","90","","110.912","0.002","90","","4088","0.9","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Co Mo4 N6 O18 -","- C21 H20 Co Mo4 N6 O18 -","- C84 H80 Co4 Mo16 N24 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0505","0.0316","","","0.0694","0.0758","","","","","","0.932","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242628","8.3887","0.0016","12.411","0.002","20.052","0.004","90","","94.027","0.004","90","","2082.5","0.7","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Co Mo8 N8 O28 -","- C26 H20 Co Mo8 N8 O28 -","- C52 H40 Co2 Mo16 N16 O56 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1187","0.0526","","","0.1226","0.1664","","","","","","0.851","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242629","8.3998","0.0003","12.4831","0.0004","20.0657","0.0007","90","","94.106","0.001","90","","2098.6","0.12","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Mo8 N8 O28 Zn -","- C26 H20 Mo8 N8 O28 Zn -","- C52 H40 Mo16 N16 O56 Zn2 -","2","0.5","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.0267","0.0226","","","0.0523","0.0539","","","","","","1.104","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242630","15.958","0.0009","16.5096","0.0009","16.5324","0.001","90","","111.402","0.001","90","","4055.3","0.4","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Mo4 N6 Ni O18 -","- C21 H19 Mo4 N6 Ni O18 -","- C84 H76 Mo16 N24 Ni4 O72 -","4","1","","Wang, Xiuli; Li, Lei; Wang, Xiang; Zhang, Yuqing","Various amide-derived ligands induced five octamolybdate-based metal‒organic complexes: synthesis, structure, electrochemical sensing and photocatalytic properties","CrystEngComm","2021","23","30","5176","5183","10.1039/D1CE00266J","","","0.71073","MoKα","","0.1286","0.0852","","","0.2731","0.3097","","","","","","1.064","","","","has coordinates","268663","2021-09-06","10:27:22",""
"7242631","11.473","0.005","13.285","0.005","15.134","0.005","77.821","0.005","71.632","0.005","76.796","0.005","2107.1","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","- C64 H48 Cu2 N16 O40 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.1257","0.0871","","","0.2698","0.2941","","","","","","1.096","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242632","14.4073","0.0006","14.6547","0.0006","18.0891","0.0008","98.781","0.001","92.723","0.001","112.217","0.001","3471.1","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","- C120 H102 Cu4 Mo12 N16 O60 Si -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.076","","","0.1346","0.1515","","","","","","1.041","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242633","14.386","0.001","14.6213","0.001","18.0964","0.0013","98.825","0.002","92.764","0.002","112.21","0.001","3458.7","0.4","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","- C120 H98 Cu4 Mo12 N16 O60 P -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","K-L~3~","0.136","0.0552","","","0.0882","0.1115","","","","","","0.973","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242634","11.2593","0.0009","12.2095","0.001","12.6834","0.0011","77.379","0.002","70.498","0.002","88.223","0.002","1602.2","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","- C32 H24 Co2 N8 O48 Si W12 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71073","MoKα","","0.0647","0.0559","","","0.1595","0.165","","","","","","1.089","","","","has coordinates,has disorder","265956","2021-06-05","18:10:46",""
"7242635","13.186","0.005","16.56","0.005","17.567","0.005","86.945","0.005","86.378","0.005","76.76","0.005","3724","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 Cu2 Mo12 N9 O48 P -","- C48 H42 Cu2 Mo12 N9 O48 P -","- C96 H84 Cu4 Mo24 N18 O96 P2 -","2","1","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","","0.71069","MoKα","","0.0716","0.0448","","","0.1105","0.1259","","","","","","1.003","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242636","16.2488","0.001","19.1465","0.0012","24.0881","0.0014","67.688","0.001","71.651","0.001","66.913","0.001","6255.3","0.7","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C210 H178 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","- C210 H180 Cu6 Mo24 N28 O114 Si2 -","1","0.5","","Wang, Xiang; Li, Yunhui; Zhang, Tong; Ma, Sijia; Wang, Xiuli","Assembly, structures and properties of polyoxometalate-based supramolecular complexes involving in situ transformation of single-branch N-donor cyano ligands","CrystEngComm","2021","23","19","3477","3487","10.1039/D1CE00298H","","x-ray","0.71073","MoKα","","0.1161","0.066","","","0.1397","0.1654","","","","","","1.032","","","","has coordinates","265956","2021-06-05","18:10:46",""
"7242637","9.6734","0.0007","9.6734","0.0007","31.308","0.004","90","","90","","120","","2537.1","0.4","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C102 H78 Cl12 N6 O12 S6 -","6","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.2147","0.065","","","0.1035","0.1458","","","","","","1.078","","","","has coordinates,has disorder","265991","2021-06-05","18:20:11",""
"7242638","9.0476","0.0008","8.5404","0.0008","11.4193","0.0011","90","","113.152","0.006","90","","811.31","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H13 Cl2 N O2 S -","- C17 H13 Cl2 N O2 S -","- C34 H26 Cl4 N2 O4 S2 -","2","1","","Gerasimova, Daria P.; Saifina, Alina F.; Zakharychev, Dmitry V.; Fayzullin, Robert R.; Kurbangalieva, Almira R.; Lodochnikova, Olga A.","The second example of doubly enantiophobic behavior during crystallization: a detailed crystallographic, thermochemical and spectroscopic study","CrystEngComm","2021","23","21","3907","3918","10.1039/D1CE00227A","","x-ray","0.71073","MoKα","","0.0744","0.0458","","","0.0884","0.1025","","","","","","1.027","","","","has coordinates","265991","2021-06-05","18:20:11",""
"7242639","15.0319","0.0003","11.2984","0.0002","16.0579","0.0003","90","","107.022","0.002","90","","2607.74","0.09","173.15","","173.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C22 H20 Cl6 N4 Ni O2 -","- C22 H20 Cl6 N4 Ni O2 -","- C88 H80 Cl24 N16 Ni4 O8 -","4","0.5","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","","0.71073","MoKα","","0.0462","0.043","","","0.1041","0.1064","","","","","","1.065","","","","has coordinates,has disorder","266116","2021-06-05","19:12:16",""
"7242640","12.7952","0.0001","18.3813","0.0001","18.9751","0.0001","90","","109.067","0.001","90","","4217.96","0.05","173.01","0.1","173.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C42 H64 N6 Ni O2 -","- C42 H64 N6 Ni O2 -","- C168 H256 N24 Ni4 O8 -","4","0.5","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","x-ray","1.54184","CuKα","","0.0405","0.0398","","","0.1104","0.111","","","","","","1.041","","","","has coordinates,has disorder","266116","2021-06-05","19:12:17",""
"7242641","12.0724","0.0002","10.2682","0.0002","24.5315","0.0004","90","","102.057","0.001","90","","2973.89","0.09","173.01","0.1","173.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H40 N6 Ni O2 -","- C30 H40 N6 Ni O2 -","- C120 H160 N24 Ni4 O8 -","4","0.5","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","x-ray","1.54184","CuKα","","0.0518","0.0448","","","0.1225","0.1289","","","","","","1.026","","","","has coordinates","266116","2021-06-05","19:12:17",""
"7242642","7.7855","0.0001","14.7244","0.0002","22.189","0.0003","90","","98.032","0.001","90","","2518.72","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N6 Ni O2 -","- C30 H24 N6 Ni O2 -","- C120 H96 N24 Ni4 O8 -","4","1","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","x-ray","0.71073","MoKα","","0.0461","0.0346","","","0.0765","0.0817","","","","","","1.028","","","","has coordinates","266116","2021-06-05","19:12:17",""
"7242643","12.8828","0.0001","18.5259","0.0002","22.3137","0.0003","90","","98.798","0.001","90","","5262.85","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 N6 Ni O3 -","- C26 H34 N6 Ni O3 -","- C208 H272 N48 Ni8 O24 -","8","2","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","x-ray","0.71073","MoKα","","0.0623","0.0455","","","0.0971","0.1047","","","","","","1.095","","","","has coordinates","266116","2021-06-05","19:12:17",""
"7242644","11.1131","0.0001","10.3896","0.0001","14.6952","0.0001","90","","109.634","0.001","90","","1598.07","0.03","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 Ni O2 -","- C36 H36 N6 Ni O2 -","- C72 H72 N12 Ni2 O4 -","2","0.5","","Bertini, Simone; Rahaman, Motiar; Dutta, Abhijit; Schollhammer, Philippe; Rudnev, Alexander V.; Gloaguen, Fredric; Broekmann, Peter; Albrecht, Martin","Oxo-functionalised mesoionic NHC nickel complexes for selective electrocatalytic reduction of CO2 to formate","Green Chemistry","2021","23","9","3365","3373","10.1039/D1GC00388G","","x-ray","0.71073","MoKα","","0.0346","0.0298","","","0.0817","0.0844","","","","","","1.073","","","","has coordinates","266116","2021-06-05","19:12:17",""
"7242645","9.7157","0.0003","21.115","0.0006","17.2695","0.0005","90","","101.485","0.002","90","","3471.85","0.18","100","1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H78.15 Cu2 N8 O19.07 -","- C64 H78.148 Cu2 N8 O19.074 -","- C128 H156.296 Cu4 N16 O38.148 -","2","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","","0.71073","MoKα","","0.0657","0.0457","","","0.1201","0.1302","","","","","","1.059","","","","has coordinates","264071","2021-04-13","04:12:15",""
"7242646","14.1819","0.0005","19.8388","0.0007","11.961","0.0005","90","","96.814","0.002","90","","3341.5","0.2","100","1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cu N8 O12 -","- C32 H28 Cu N8 O12 -","- C128 H112 Cu4 N32 O48 -","4","1","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","","0.71073","MoKα","","0.0381","0.0297","","","0.0841","0.0881","","","","","","1.038","","","","has coordinates","264071","2021-04-13","04:12:22",""
"7242647","10.468","0.005","10.853","0.006","13.43","0.004","79.52","0.05","73.95","0.04","88.13","0.04","1441.6","1.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 Cu2 N8 O8 -","- C64 H64 Cu2 N8 O8 -","- C64 H64 Cu2 N8 O8 -","1","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0807","0.0838","","","","","","1.054","","","","has coordinates","264071","2021-04-13","04:12:25",""
"7242648","16.2772","0.0002","16.2772","0.0002","17.3126","0.0002","90","","90","","90","","4586.93","0.1","100","1","100","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C46 H38 Cl4 Cu2 N4 O8 -","- C46 H38 Cl4 Cu2 N4 O8 -","- C184 H152 Cl16 Cu8 N16 O32 -","4","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","x-ray","1.54178","CuKα","K-L~3~","0.0659","0.0648","","","0.1729","0.1745","","","","","","1.094","","","","has coordinates,has disorder","264071","2021-04-13","04:12:27",""
"7242649","25.7398","0.0011","23.6271","0.0011","9.7094","0.0005","90","","106.926","0.003","90","","5649","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C12 H12 N8 Zn2 -","- C12 H12 N8 Zn2 -","- C96 H96 N64 Zn16 -","8","1","","Meng, Qianqian; Wang, Jiang; Shi, Qi; Dong, Jinxiang","Synthesis of a new ATN-type zeolitic imidazolate framework through cooperative effects of N,N-dipropylformamide and n-butylamine","CrystEngComm","2021","23","19","3429","3433","10.1039/D1CE00287B","","","1.54178","CuKα","","0.0847","0.0693","","","0.1849","0.2025","","","","","","1.005","","","","has coordinates,has disorder","265952","2021-06-05","18:10:03",""
"7242650","7.1866","0.0002","12.4312","0.0003","13.8896","0.0005","93.039","0.002","96.532","0.003","93.712","0.002","1227.94","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H51 N13 O13 S4 -","- C41 H51 N13 O13 S4 -","- C41 H51 N13 O13 S4 -","1","0.5","","Nakayama, Kentaro; Manako, Taisuke; Koibuchi, Ryo; Yoshikawa, Isao; Houjou, Hirohiko","Ratchet-like mechanism in a long-life photoproduct of salicylideneaniline enclathrated in a pillared-layer guanidinium disulfonate structure","RSC Advances","2021","11","23","13739","13742","10.1039/D1RA01823J","","","0.71073","MoKα","","0.0822","0.0655","","","0.1751","0.1864","","","","","","1.07","","","","has coordinates,has disorder","264114","2021-04-14","04:09:06",""
"7242651","7.1218","0.0001","12.5455","0.0003","13.6688","0.0003","113.601","0.002","99.3307","0.0015","91.6841","0.0016","1098.28","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 N13 O13 S4 -","- C37 H47 N13 O13 S4 -","- C37 H47 N13 O13 S4 -","1","0.5","","Nakayama, Kentaro; Manako, Taisuke; Koibuchi, Ryo; Yoshikawa, Isao; Houjou, Hirohiko","Ratchet-like mechanism in a long-life photoproduct of salicylideneaniline enclathrated in a pillared-layer guanidinium disulfonate structure","RSC Advances","2021","11","23","13739","13742","10.1039/D1RA01823J","","","0.71073","MoKα","","0.0522","0.0482","","","0.1482","0.1517","","","","","","1.116","","","","has coordinates,has disorder","264114","2021-04-14","04:09:06",""
"7242652","16.61883","0.00003","16.61883","0.00003","16.61883","0.00003","90","","90","","90","","4589.88","0.014","1073","","1073","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mo4 O23 Sr11 -","- Mo3.99984 O22.992 Sr11.0002 -","- Mo31.9987 O183.936 Sr88.0013 -","8","0.0416667","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:35",""
"7242653","16.5443","0.0004","16.5736","0.0003","16.553","0.0004","90.0771","0.0017","90.3235","0.0008","89.9506","0.002","4538.73","0.18","873","","873","","","","","","","","","3","P -1","-P 1","2","","","","- Mo4 O23 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242654","16.4007","0.0008","16.4236","0.0005","16.409","0.0008","90.084","0.003","90.4494","0.0013","89.964","0.004","4419.8","0.3","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- Mo4 O23 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242655","16.4952","0.0005","16.5214","0.0004","16.504","0.0005","90.064","0.002","90.3338","0.001","89.974","0.003","4497.7","0.2","673","","673","","","","","","","","","3","P -1","-P 1","2","","","","- Mo4 O23 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242656","16.4413","0.0006","16.4661","0.0004","16.4515","0.0006","90.08","0.002","90.4085","0.0011","89.969","0.003","4453.7","0.3","473","","473","","","","","","","","","3","P -1","-P 1","2","","","","- M O27 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242657","8.8632","0.0005","9.5113","0.0006","13.014","0.0008","102.966","0.0006","90.5478","0.0007","109.479","0.0006","1003.66","0.11","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-1-iodo-4-nitronaphthalene","","- C10 H5 Cl I N O2 -","- C10 H5 Cl I N O2 -","- C40 H20 Cl4 I4 N4 O8 -","4","2","","Kim, Juhwan; Umerani, Mehran J.; Kurakake, Reina; Qin, Huiting; Ziller, Joseph W.; Gorodetsky, Alon A.; Park, Young S.","An aza-Diels‒Alder approach to chlorinated quinolines, benzoquinolines, and polybenzoquinolines","RSC Advances","2021","11","23","13722","13730","10.1039/D0RA06744J","","","0.71073","MoKα","","0.0264","0.0235","","","0.0597","0.0614","","","","","","1.076","","","","has coordinates","264183","2021-04-15","04:08:31",""
"7242658","25.411","0.012","16.573","0.008","16.573","","90","","90","","90","","6979","5","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16.25 H15.75 N1.25 O6 Zn -","- C13 H6 O5 Zn -","- C104 H48 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1067","0.0727","","","0.1934","0.2033","","","","","","1.035","","","","has coordinates","265987","2021-06-05","18:19:27",""
"7242659","17.693","0.003","33.688","0.007","16.248","0.003","90","","90","","90","","9684","3","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C26 H36 N3.5 O9.5 Zn -","- C16 H8 O5 Zn -","- C128 H64 O40 Zn8 -","8","1","","Zhang, Hao; Geng, Wu-Yue; Luo, Yu-Hui; Ding, Zi-Jun; Wang, Zhi-Xuan; Xie, A.-Di; Zhang, Dong-En","Reticular synthesis of two anionic Zn(ii)-MOFs for organic dye adsorption/separation and lanthanide ion sensitization","CrystEngComm","2021","23","18","3319","3325","10.1039/D1CE00112D","","","0.71073","MoKα","","0.1534","0.1094","","","0.2837","0.3234","","","","","","1.018","","","","has coordinates,has disorder","265987","2021-06-05","18:19:29",""
"7242660","9.5836","0.0005","9.5888","0.0005","10.0923","0.0006","67.643","0.006","88.319","0.005","61.421","0.005","739.79","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","- C20 H16 Bi2 Br6 N4 O4 -","1","0.5","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0331","0.029","","","0.057","0.06","","","","","","1.031","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242661","16.702","0.003","13.373","0.003","27.508","0.006","90","","98.96","0.03","90","","6069","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C21 H17.5 Bi2 Br6 N4.5 O4 -","- C168 H140 Bi16 Br48 N36 O32 -","8","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.0359","0.0295","","","0.0666","0.0688","","","","","","1.037","","","","has coordinates,has disorder","265964","2021-06-05","18:12:06",""
"7242662","16.7831","0.0007","10.2718","0.0005","15.2355","0.0007","90","","94.446","0.004","90","","2618.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Bi Br4 N3 O2 -","- C20 H30 Bi Br4 N3 O2 -","- C80 H120 Bi4 Br16 N12 O8 -","4","1","","Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying","2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence","CrystEngComm","2021","23","20","3744","3752","10.1039/D1CE00362C","","","0.71073","MoKα","","0.04","0.0316","","","0.0649","0.0705","","","","","","1.016","","","","has coordinates","265964","2021-06-05","18:12:06",""
"7242663","6.8987","0.0004","21.2912","0.0012","8.6833","0.0005","90","","102.19","0.0018","90","","1246.66","0.12","295","2","295.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- Fe5 Mo7 O28 Rb -","- Fe5 Mo7 O28 Rb -","- Fe10 Mo14 O56 Rb2 -","2","0.5","","Chimitova, O. D.; Bazarov, B. G.; Bazarova, J. G.; Atuchin, V. V.; Azmi, R.; Sarapulova, A. E.; Mikhailova, D.; Balachandran, G.; Fiedler, A.; Geckle, U.; Prots, Yu.; Komarek, A. C.; Gavrilova, T. A.; Prosvirin, I. P.; Yang, Yi; Lin, Zheshuai; Knapp, M.; Ehrenberg, H.","The crystal growth and properties of novel magnetic double molybdate RbFe5(MoO4)7 with mixed Fe3+/Fe2+ states and 1D negative thermal expansion","CrystEngComm","2021","23","18","3297","3307","10.1039/D1CE00118C","","","0.71073","MoKα","","0.0199","0.0166","","","0.0336","0.0345","","","","","","1.086","","","","has coordinates","265986","2021-06-05","18:19:09",""
"7242664","18.0472","0.0007","7.044","0.0003","16.9293","0.0008","90","","96.096","0.004","90","","2139.96","0.16","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 N4 O1.5 -","- C12 H11 N4 O1.5 -","- C96 H88 N32 O12 -","8","1","","Niu, Kaikai; Ding, Ling; Zhou, Pan; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin","Electro-oxidative C‒H azolation of quinoxalin-2(1H)-ones","Green Chemistry","2021","23","9","3246","3249","10.1039/D1GC00861G","","x-ray","0.71073","MoKα","","0.0568","0.0471","","","0.1138","0.1226","","","","","","1.052","","","","has coordinates,has disorder","266114","2021-06-05","19:11:55",""
"7242665","10.2977","0.0007","17.1374","0.0012","25.7887","0.0018","85.798","0.006","85.562","0.006","77.91","0.006","4429.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H10 N6 O3 -","- C9 H10 N6 O3 -","- C144 H160 N96 O48 -","16","8","","Caimac, Nicoleta; Melnic, Elena; Chisca, Diana; Fonari, Marina S.","2,4-Diamino-6-phenyl-1,3,5-triazin-1-ium nitrate: intriguing crystal structure with high Z′/Z′′ and hydrogen bond numbers and Hirshfeld surface analysis of intermolecular interactions","CrystEngComm","2021","23","17","3099","3108","10.1039/D1CE00313E","","","0.71073","MoKα","","0.2402","0.0699","","","0.0764","0.1094","","","","","","0.871","","","","has coordinates","265941","2021-06-05","18:07:23",""
"7242666","11.1425","0.001","12.3552","0.0011","15.2616","0.0014","91.131","0.003","104.168","0.003","112.006","0.003","1874.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Cu N5 O10 -","- C43 H35 Cu N5 O10 -","- C86 H70 Cu2 N10 O20 -","2","1","","Ali, Arif; Banerjee, Somesh; Kamaal, Saima; Usman, Mohammad; Das, Neeladrisingha; Afzal, Mohd; Alarifi, Abdullah; Sepay, Nayim; Roy, Partha; Ahmad, Musheer","Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer)","RSC Advances","2021","11","24","14362","14373","10.1039/D1RA00172H","","","0.71073","MoKα","","0.1006","0.0601","","","0.1562","0.1936","","","","","","1.1383","","","","has coordinates","264273","2021-04-17","04:18:19",""
"7242667","11.6573","0.0007","12.7849","0.0008","15.4024","0.0009","66.799","0.002","71.044","0.002","65.341","0.002","1881.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 Cu N4 O12 -","- C43 H36 Cu N4 O12 -","- C86 H72 Cu2 N8 O24 -","2","1","","Ali, Arif; Banerjee, Somesh; Kamaal, Saima; Usman, Mohammad; Das, Neeladrisingha; Afzal, Mohd; Alarifi, Abdullah; Sepay, Nayim; Roy, Partha; Ahmad, Musheer","Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer)","RSC Advances","2021","11","24","14362","14373","10.1039/D1RA00172H","","","0.71073","MoKα","","0.0406","0.0368","","","0.0985","0.1024","","","","","","1.0623","","","","has coordinates","264273","2021-04-17","04:18:20",""
"7242668","12.3714","0.0012","18.5178","0.0017","5.6651","0.0005","90","","90","","90","","1297.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0928","0.0641","","","0.1804","0.2067","","","","","","1.093","","","","has coordinates","265997","2021-06-05","18:21:38",""
"7242669","11.626","0.007","30.46","0.02","8.952","0.004","90","","90","","90","","3170","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 N6 O8 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0556","0.0383","","","0.1159","0.1243","","","","","","1.045","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242670","11.4051","0.0014","8.0096","0.001","19.454","0.002","90","","106.613","0.003","90","","1702.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Co N6 O8 -","- C34 H34 Co N6 O8 -","- C68 H68 Co2 N12 O16 -","2","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0403","0.031","","","0.0805","0.0858","","","","","","1.078","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242671","30.4091","0.0014","11.6865","0.0005","8.9577","0.0003","90","","90","","90","","3183.4","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 Co N6 O8 -","- C30 H32 Co N6 O8 -","- C120 H128 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.057","0.0444","","","0.137","0.1477","","","","","","1","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242672","11.7","0.004","30.466","0.01","8.959","0.003","90","","90","","90","","3193.5","1.9","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H32 N6 O8 Zn -","- C30 H32 N6 O8 Zn -","- C120 H128 N24 O32 Zn4 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0511","0.042","","","0.0873","0.0909","","","","","","1.083","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242673","11.653","0.007","30.448","0.014","8.96","0.005","90","","90","","90","","3179","3","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H34 Co N6 O8 -","- C30 H34 Co N6 O8 -","- C120 H136 Co4 N24 O32 -","4","0.5","","Brahma, Rinki; Baruah, Jubaraj B.","Intrinsic structural features of coordination polymers make an impact on dye selectivity","CrystEngComm","2021","23","21","3812","3827","10.1039/D1CE00481F","","","0.71073","MoKα","","0.0678","0.0502","","","0.2083","0.2259","","","","","","1.021","","","","has coordinates","265997","2021-06-05","18:21:39",""
"7242674","13.896","0.003","4.8595","0.0011","15.28","0.004","90","","111.44","0.03","90","","960.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Ag2 N2 O5 S -","- C6 H4 Ag2 N2 O5 S -","- C24 H16 Ag8 N8 O20 S4 -","4","1","","Lin, Yuan; Jiang, Huijie; Liang, Guangling; Deng, Wei-Hua; Li, Qiaohong; Li, Wen-Hua; Xu, Gang","The exceptionally high moisture responsiveness of a new conductive-coordination-polymer based chemiresistive sensor","CrystEngComm","2021","23","19","3549","3556","10.1039/D1CE00347J","","","0.71073","MoKα","","0.066","0.0436","","","0.0736","0.0796","","","","","","1.038","","","","has coordinates","265950","2021-06-05","18:09:15",""
"7242675","5.5069","0.0006","13.3044","0.0016","35.296","0.004","84.488","0.005","88.558","0.005","89.975","0.005","2573.2","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 O3 S2 -","- C13 H12 O3 S2 -","- C104 H96 O24 S16 -","8","4","","Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu","Oxy-sulfonylation of terminal alkynes via C‒S coupling enabled by copper photoredox catalysis","Green Chemistry","2021","23","10","3569","3574","10.1039/D1GC00736J","","","0.71073","MoKα","","0.1488","0.1323","","","0.301","0.3075","","","","","","1.214","","","","has coordinates","266113","2021-06-05","19:11:45",""
"7242676","13.3682","0.0005","7.2588","0.0003","26.6061","0.001","90","","90","","90","","2581.78","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Cl O3 S -","- C14 H11 Cl O3 S -","- C112 H88 Cl8 O24 S8 -","8","1","","Pampana, V. Kishore Kumar; Charpe, Vaibhav Pramod; Sagadevan, Arunachalam; Das, Deb Kumar; Lin, Chun-Cheng; Hwu, Jih Ru; Hwang, Kuo Chu","Oxy-sulfonylation of terminal alkynes via C‒S coupling enabled by copper photoredox catalysis","Green Chemistry","2021","23","10","3569","3574","10.1039/D1GC00736J","","","0.71073","MoKα","","0.0335","0.0295","","","0.0744","0.0771","","","","","","1.043","","","","has coordinates","266113","2021-06-05","19:11:45",""
"7242677","4.8625","0.0006","27.236","0.003","16.031","0.002","90","","97.22","0.004","90","","2106.2","0.4","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H19 Br3 N4 O -","- C20 H19 Br3 N4 O -","- C80 H76 Br12 N16 O4 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0718","0.0427","","","0.0854","0.0954","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242678","4.6889","0.0002","27.4022","0.0012","16.2907","0.0007","90","","95.444","0.002","90","","2083.69","0.16","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H21 Cl3 N4 O2 -","- C20 H21 Cl3 N4 O2 -","- C80 H84 Cl12 N16 O8 -","4","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.0352","0.0319","","","0.0794","0.0815","","","","","","1.042","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242679","7.9128","0.0005","12.1194","0.0007","14.6144","0.0009","111.868","0.003","97.267","0.003","95.94","0.003","1272.82","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -","- C40 H38 Cl6 N8 O26 -","2","1","","Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata","Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts","CrystEngComm","2021","23","19","3569","3581","10.1039/D1CE00248A","","","0.71073","MoKα","","0.081","0.074","","","0.2187","0.2272","","","","","","1.064","","","","has coordinates","265948","2021-06-05","18:08:56",""
"7242680","28.619","0.0012","14.2049","0.0005","14.1485","0.0006","90","","100.174","0.0014","90","","5661.4","0.4","150","2","150.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H55 Ce2 N5 O20 -","- C47 H55 Ce2 N5 O20 -","- C188 H220 Ce8 N20 O80 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1","0.1019","","","","","","1.233","","","","has coordinates,has disorder","265993","2021-06-05","18:20:51",""
"7242681","28.4297","0.0013","14.2555","0.0006","13.8161","0.0005","90","","100.144","0.002","90","","5511.9","0.4","150","2","150.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 Gd2 N5 O19 -","- C47 H53 Gd2 N5 O19 -","- C188 H212 Gd8 N20 O76 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0492","0.0441","","","0.1195","0.1218","","","","","","1.087","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242682","28.698","0.004","14.307","0.002","13.8772","0.0019","90","","99.521","0.004","90","","5619.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 Eu N2 O9 -","- C22 H23 Eu N2 O9 -","- C176 H184 Eu8 N16 O72 -","8","1","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0886","0.0554","","","0.1552","0.1687","","","","","","1.094","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242683","19.6983","0.001","19.6983","0.001","45.34","0.002","90","","90","","120","","15236","1.3","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Dy2 O16.5 -","- C32 H23 Dy2 O16.5 -","- C288 H207 Dy18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0436","0.0371","","","0.1042","0.1087","","","","","","1.057","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242684","28.5809","0.0012","14.1925","0.0006","14.113","0.0005","90","","99.9937","0.0013","90","","5637.9","0.4","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Pr2 -","- C47 H53 N5 O19 Pr2 -","- C188 H212 N20 O76 Pr8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0466","0.0437","","","0.1029","0.1042","","","","","","1.169","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242685","28.531","0.002","14.3021","0.0009","13.7731","0.0009","90","","100.718","0.002","90","","5522.1","0.6","150","2","149.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H53 N5 O19 Sm2 -","- C47 H53 N5 O19 Sm2 -","- C188 H212 N20 O76 Sm8 -","4","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0566","0.0428","","","0.1071","0.1125","","","","","","1.06","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242686","19.6548","0.0011","19.6548","0.0011","45.295","0.003","90","","90","","120","","15153.7","1.6","150","2","150.01","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C32 H23 Ho2 O16.5 -","- C32 H23 Ho2 O16.5 -","- C288 H207 Ho18 O148.5 -","9","0.5","","Xue, Yun-Shan; Ding, Ji; Sun, Dan-Ling; Cheng, Wei-Wei; Chen, Xuan-Rong; Huang, Xing-Cai; Wang, Jun","3D Ln-MOFs as multi-responsive luminescent probes for efficient sensing of Fe3+, Cr2O72−, and antibiotics in aqueous solution","CrystEngComm","2021","23","21","3838","3848","10.1039/D1CE00399B","","","0.71073","MoKα","","0.0533","0.0424","","","0.1246","0.1305","","","","","","1.086","","","","has coordinates,has disorder","265993","2021-06-05","18:20:52",""
"7242687","10.5841","0.0011","7.8503","0.0006","14.9718","0.0013","90","","101.399","0.009","90","","1219.44","0.19","293.3","0.7","293.3","0.7","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Clotam, Tolfedine,2-[(3-Chloro-2-methylphenyl)amino]benzoic Acid","tolfenamic acid","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","","Sacchi, Pietro; Reutzel-Edens, Susan M.; Cruz-Cabeza, Aurora J.","The unexpected discovery of the ninth polymorph of tolfenamic acid","CrystEngComm","2021","23","20","3636","3647","10.1039/D1CE00343G","","x-ray","0.71073","MoKα","","0.1288","0.0577","","","0.0992","0.1247","","","","","","1.038","","","","has coordinates","265965","2021-06-05","18:12:12",""
"7242688","10.825","0.004","11.925","0.004","12.194","0.004","71.857","0.01","77.095","0.01","72.995","0.01","1415.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.26 H3.37 F0.63 O0.11 P0.11 S0.32 -","- C3.26316 H3.36842 F0.631579 O0.105263 P0.105263 S0.315789 -","- C62 H64 F12 O2 P2 S6 -","19","9.5","","Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad","A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ","RSC Advances","2021","11","24","14607","14614","10.1039/D1RA00587A","","","0.71073","MoKα","","0.1659","0.1392","","","0.3674","0.3821","","","","","","1.209","","","","has coordinates","264351","2021-04-21","04:19:12",""
"7242689","3.9618","0.0004","9.211","0.0008","9.8478","0.0008","105.537","0.003","90.439","0.003","96.653","0.003","343.62","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","tetramethyldithiopyrene","","- C9 H8 S -","- C9 H8 S -","- C18 H16 S2 -","2","1","","Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad","A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ","RSC Advances","2021","11","24","14607","14614","10.1039/D1RA00587A","","","0.71073","MoKα","","0.0411","0.0331","","","0.0838","0.0881","","","","","","1.078","","","","has coordinates","264351","2021-04-21","04:19:12",""
"7242690","3.7098","0.0003","17.1976","0.0018","20.181","0.002","82.379","0.004","89.939","0.003","86.046","0.004","1273.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N4 S2 -","- C30 H20 N4 S2 -","- C60 H40 N8 S4 -","2","1","","Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad","A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ","RSC Advances","2021","11","24","14607","14614","10.1039/D1RA00587A","","","0.71073","MoKα","","0.108","0.0961","","","0.2371","0.2448","","","","","","1.134","","","","has coordinates","264351","2021-04-21","04:19:13",""
"7242691","10.0422","0.0006","22.1419","0.0014","26.2315","0.0015","90","","90","","90","","5832.7","0.6","298.08","","298.08","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H33 N O6 -","- C32 H33 N O6 -","- C256 H264 N8 O48 -","8","1","","Thangamani, Murugesan; Thangamalar, Subaramaniam; Srinivasan, Kannupal","Tin(iv) chloride mediated (3 + 2) annulation of trans-2-aroyl-3-styrylcyclopropane-1,1-dicarboxylates with nitriles: diastereoselective access to 5-vinyl-1-pyrroline derivatives","RSC Advances","2021","11","25","14980","14985","10.1039/D1RA01194D","","","0.71073","MoKα","","0.1641","0.0723","","","0.1645","0.2208","","","","","","1.012","","","","has coordinates,has disorder","264390","2021-04-22","04:24:05",""
"7242692","14.182","0.002","14.182","0.002","29.472","0.006","90","","90","","90","","5927.7","1.7","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C36 H44 Cu10 I4 N12 O S6 -","- C36 H42 Cu10 I4 N12 O S6 -","- C144 H168 Cu40 I16 N48 O4 S24 -","4","0.5","","Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan","Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls","RSC Advances","2021","11","25","14899","14904","10.1039/D1RA01102B","","","0.71073","MoKα","","0.0761","0.0637","","","0.137","0.1436","","","","","","1.107","","","","has coordinates","264391","2021-04-22","04:24:51",""
"7242693","28.313","0.003","15.0425","0.0014","20.956","0.002","90","","124.589","0.003","90","","7347.6","1.3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 Cl6 Cu11 I5 N12 S6 -","- C39 H44 Cl6 Cu11 I5 N12 S6 -","- C156 H176 Cl24 Cu44 I20 N48 S24 -","4","0.5","","Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan","Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls","RSC Advances","2021","11","25","14899","14904","10.1039/D1RA01102B","","","0.71073","MoKα","","0.109","0.0772","","","0.227","0.2477","","","","","","1.055","","","","has coordinates","264391","2021-04-22","04:24:52",""
"7242694","24.2206","0.001","18.2735","0.001","17.7634","0.0008","90","","90","","90","","7862","0.6","293","2","293.15","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H24 Cu2 N2 O10 -","- C28 H24 Cu2 N2 O10 -","- C224 H192 Cu16 N16 O80 -","8","1","","Li, Anqi; Ma, Xiaofan; Ma, Jie; Yuan, Qingyi; Zhang, Jun; Xuan, Xiaopeng","A self-made portable separation device based on 2-D MOF nanosheets for the efficient separation of dyes in solutions","CrystEngComm","2021","23","22","3989","3994","10.1039/D1CE00251A","","x-ray","1.54184","CuKα","","0.1148","0.0851","","","0.1985","0.2118","","","","","","0.968","","","","has coordinates,has disorder","267113","2021-07-05","17:08:19",""
"7242695","7.4017","0.0004","9.1653","0.0004","9.6034","0.0004","97.121","0.002","98.953","0.002","106.99","0.003","605.48","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C28 H22 F2 N4 O4 -","2","1","","Tiwari, Surbhi; Arya, Neeru; Mishra, Sandeep Kumar; Suryaprakash, N.","Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations","RSC Advances","2021","11","25","15195","15202","10.1039/D1RA02538D","","","0.71073","MoKα","","0.0683","0.0633","","","0.1959","0.2021","","","","","","1.036","","","","has coordinates","264445","2021-04-23","04:20:40",""
"7242696","6.8961","0.0002","12.333","0.0003","13.6728","0.0003","90","","96.385","0.002","90","","1155.65","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C60 H40 N16 -","4","1","","Gong, Ya-Ping; Yang, Jian; Fang, Ji-Wang; Li, Qian; Yu, Zhi-Yong; Guan, Aijiao; Gong, Han-Yuan","A DNA small molecular probe with increasing K+ concentration promoted selectivity","RSC Advances","2021","11","25","15030","15035","10.1039/D0RA06274J","","","1.54184","CuKα","","0.0398","0.0369","","","0.1156","0.1201","","","","","","1.019","","","","has coordinates","264446","2021-04-23","04:21:13",""
"7242697","8.9555","0.0007","10.1597","0.0006","9.9607","0.0008","90","","110.056","0.009","90","","851.32","0.12","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O6 -","- C8 H7 N O6 -","- C32 H28 N4 O24 -","4","1","","Gill, Daniel M.; R. Povinelli, Ana Paula; Zazeri, Gabriel; Shamir, Sabrina A.; Mahmoud, Ayman M.; Wilkinson, Fiona L.; Alexander, M. Yvonne; L. Cornelio, Marinonio; Jones, Alan M.","The modulatory role of sulfated and non-sulfated small molecule heparan sulfate-glycomimetics in endothelial dysfunction: absolute structural clarification, molecular docking and simulated dynamics, SAR analyses and ADMET studies","RSC Medicinal Chemistry","2021","","","","","10.1039/D0MD00366B","","x-ray","1.54184","CuKα","","0.0427","0.0356","","","0.0884","0.0944","","","","","","1.045","","","","has coordinates","264498","2021-04-24","02:47:38",""
"7242698","11.385","0.004","5.4371","0.0018","14.32","0.005","90","","105.333","0.005","90","","854.9","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co N4 -","- C24 H20 Co N4 -","- C48 H40 Co2 N8 -","2","0.5","","Takahashi, Yukihiro; Ishida, Kenshiro; Matsuno, Sarasa; Kurokawa, Masashi; Shimada, Takuro; Harada, Jun; Inabe, Tamotsu","Charge injection phenomena at the contact interface between (5,10,15,20-tetramethylporphyrinato)cobalt(ii) and 2,5-difluoro-7,7,8,8-tetracyanoquinodimethane single crystals","CrystEngComm","2021","23","22","3975","3980","10.1039/D1CE00299F","","","0.71073","MoKα","","0.0818","0.0593","","","0.1303","0.1394","","","","","","1.091","","","","has coordinates","267117","2021-07-05","17:08:57",""
"7242699","8.4385","0.0017","11.64","0.002","15.505","0.003","72.57","0.006","78.032","0.007","77.754","0.007","1403","0.5","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0997","0.0545","","","0.1182","0.1435","","","","","","1.022","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242700","11.6933","0.0006","19.4475","0.0009","15.7924","0.0007","90","","104.568","0.005","90","","3475.8","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C75 H59 Cl9 Ir2 N6 O4 -","- C75 H59 Cl9 Ir2 N6 O4 -","- C150 H118 Cl18 Ir4 N12 O8 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","x-ray","0.71073","MoKα","","0.0853","0.0597","","","0.1279","0.1396","","","","","","1.015","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242701","9.5848","0.0006","11.213","0.0006","15.3359","0.0006","79.265","0.004","87.618","0.004","83.077","0.005","1607.26","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Rac-pq-DL-pca","","- C36 H30 Ir N3 O2 -","- C36 H30 Ir N3 O2 -","- C72 H60 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0659","0.0532","","","0.1317","0.1622","","","","","","1.186","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242702","10.9116","0.0009","12.8156","0.0008","11.1952","0.001","90","","116.915","0.011","90","","1395.9","0.2","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H28 Ir N3 O2 -","- C36 H28 Ir N3 O2 -","- C72 H56 Ir2 N6 O4 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","1.54184","CuKα","","0.0538","0.0501","","","0.1239","0.1296","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242703","17.1672","0.0003","17.1672","0.0003","11.4013","0.0004","90","","90","","90","","3360.11","0.14","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","Δ-D-pca","","- C37 H34 Ir N3 O3 -","- C37 H34 Ir N3 O3 -","- C148 H136 Ir4 N12 O12 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0482","0.0395","","","0.0855","0.0889","","","","","","1.004","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242704","11.0806","0.0002","14.0971","0.0003","27.4716","0.0006","90","","96.807","0.002","90","","4260.93","0.15","100.5","0.7","100.5","0.7","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0954","0.0806","","","0.2378","0.2496","","","","","","1.045","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242705","7.119","0.0003","20.3309","0.0011","9.5266","0.0004","90","","96.058","0.002","90","","1371.14","0.11","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1189","0.0584","","","0.1311","0.1651","","","","","","1.034","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242706","8.5788","0.0003","11.5484","0.0004","15.5295","0.0004","71.665","0.001","76.089","0.001","77.225","0.001","1399.8","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","3ma","","- C18 H16 F N O -","- C18 H16 F N O -","- C72 H64 F4 N4 O4 -","4","2","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0754","0.0475","","","0.1042","0.127","","","","","","1.04","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242707","11.172","0.0003","14.4058","0.0003","28.4891","0.0008","90","","99.187","0.002","90","","4526.3","0.2","372.99","0.13","372.99","0.13","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1224","0.0752","","","0.2266","0.2553","","","","","","1.024","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242708","11.1207","0.0003","14.2524","0.0003","28.2337","0.0007","90","","98.503","0.002","90","","4425.76","0.19","292.98","0.1","292.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.098","0.0635","","","0.1919","0.2144","","","","","","1.048","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242709","11.0967","0.0002","14.131","0.0003","27.593","0.0006","90","","97.044","0.002","90","","4294.13","0.15","152.95","0.1","152.95","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0953","0.0775","","","0.229","0.2421","","","","","","1.036","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242710","11.1435","0.0003","14.3229","0.0004","28.3951","0.0009","90","","98.853","0.003","90","","4478.1","0.2","332.99","0.1","332.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.1092","0.0648","","","0.1934","0.221","","","","","","1.018","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242711","11.1134","0.0002","14.2035","0.0003","28.0547","0.0007","90","","98.077","0.002","90","","4384.48","0.17","252.98","0.1","252.98","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H120 Cl8 N6 O4 Zn2 -","- C84 H120 Cl8 N6 O4 Zn2 -","- C168 H240 Cl16 N12 O8 Zn4 -","2","0.5","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.11","0.083","","","0.2268","0.2477","","","","","","1.046","","","","has coordinates,has disorder","267130","2021-07-05","17:13:17",""
"7242712","10.5542","0.0002","17.6038","0.0004","16.6076","0.0003","90","","91.163","0.002","90","","3084.96","0.11","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H54 Ir2 N6 O4 -","- C72 H53 Ir2 N6 O4 -","- C144 H106 Ir4 N12 O8 -","2","1","","Miao, Le-Ping; Qi, Qi; Han, Xiang-Bin; Zhang, Wen","DCM self-trapping by the host deformation in flexible host‒guest molecules","CrystEngComm","2021","23","23","4136","4142","10.1039/D1CE00301A","","","0.71073","MoKα","","0.0348","0.0334","","","0.094","0.0951","","","","","","1.09","","","","has coordinates","267130","2021-07-05","17:13:17",""
"7242713","12.1359","0.0003","13.8894","0.0003","13.9395","0.0003","92.898","0.002","97.773","0.002","100.49","0.002","2282.32","0.09","130","2","129.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N16 Na4 O12 W2 -","- C32 H28 N16 Na4 O12 W2 -","- C64 H56 N32 Na8 O24 W4 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.7107","MoKα","","0.0575","0.0349","","","0.0629","0.0711","","","","","","1.07","","","","has coordinates","267099","2021-07-05","17:04:07",""
"7242714","8.5595","0.0002","9.8622","0.0001","13.8861","0.0003","94.349","0.001","99.66","0.002","98.206","0.001","1137.75","0.04","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 N9 Na2 O4.9 W -","- C18 H11 N9 Na2 O4.872 W -","- C36 H22 N18 Na4 O9.744 W2 -","2","1","","Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz","Unusual structural changes going from Li+ to Cs+ in [W(CN)6(bpy)]2− ion salts: the Na+ case","CrystEngComm","2021","23","24","4301","4311","10.1039/D1CE00328C","","","0.71073","MoKα","","0.0542","0.0469","","","0.1191","0.1232","","","","","","1.076","","","","has coordinates,has disorder","267099","2021-07-05","17:04:07",""
"7242715","18.0128","0.001","27.5447","0.0016","7.2185","0.0003","90","","90","","90","","3581.5","0.3","200","","200","","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C52 H36 N2 -","- C52 H36 N2 -","- C208 H144 N8 -","4","0.5","","Sukegawa, Yoshihito; Sato, Kaito; Fujiwara, Wataru; Katagiri, Hiroshi; Yokoyama, Daisuke","Effect of the conformer distribution on the properties of amorphous organic semiconductor films for organic light-emitting diodes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00892G","","","0.71073","MoKα","","0.0906","0.0637","","","0.1495","0.1668","","","","","","1.039","","","","has coordinates","264511","2021-04-25","03:43:32",""
"7242716","11.4747","0.0007","26.5116","0.0014","15.3274","0.0009","90","","103.836","0.006","90","","4527.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy F9 N2 O6 -","- C45 H36 Dy F9 N2 O6 -","- C180 H144 Dy4 F36 N8 O24 -","4","1","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.1743","0.088","","","0.1966","0.283","","","","","","0.999","","","","has coordinates","267115","2021-07-05","17:08:43",""
"7242717","12.7036","0.0011","12.9201","0.0012","16.3475","0.0015","78.309","0.008","76.098","0.008","65.756","0.009","2358.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","- C93 H72 Dy2 F24 K N O16 -","1","0.5","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","x-ray","1.54184","CuKα","","0.13","0.0876","","","0.1865","0.2279","","","","","","1.037","","","","has coordinates,has disorder","267115","2021-07-05","17:08:43",""
"7242718","45.84","0.002","19.6673","0.0006","25.2882","0.0011","90","","115.257","0.003","90","","20619.1","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C102 H68 Dy2 F18 N8 O12 -","- C102 H68 Dy2 F18 N8 O12 -","- C816 H544 Dy16 F144 N64 O96 -","8","1","","Shen, Nan; Liang, Jing; Qu, Xiaoni; Liu, Sha; Zhu, Lin; Zhang, Sheng; Chen, Ling; Zhang, Jiangwei; Hu, Dengwei; Yin, Bing","The influence of organic bases and substituted groups on coordination structures affording two mononuclear Dy(iii) single-molecule magnets (SMMs) and a novel Dy(iii)‒K(i) compound with unusually coordinated fluorine atoms","CrystEngComm","2021","23","22","4013","4027","10.1039/D1CE00431J","","","1.54184","CuKα","","0.135","0.0845","","","0.2448","0.3027","","","","","","0.944","","","","has coordinates","267115","2021-07-05","17:08:43",""
"7242719","13.9641","0.0006","13.0136","0.0005","11.2102","0.0005","90","","101.341","0.001","90","","1997.38","0.15","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0536","0.0511","","","0.134","0.1363","","","","","","1.064","","","","has coordinates","267118","2021-07-05","17:09:09",""
"7242720","10.945","0.003","13.203","0.005","15.214","0.005","111.931","0.012","95.97","0.012","94.038","0.012","2014.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","2","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0415","0.0362","","","0.1105","0.1156","","","","","","1.028","","","","has coordinates","267118","2021-07-05","17:09:10",""
"7242721","4.883","0.0001","15.353","0.0005","30.034","0.0008","90","","93.087","0.001","90","","2248.34","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N3 O7 -","- C22 H29 N3 O7 -","- C88 H116 N12 O28 -","4","1","","Thorat, Shridhar H.; George, Christy P.; Shaligram, Parth S.; P. R., Suresha; Gonnade, Rajesh G.","Polymorphs and hydrates of the anticancer drug erlotinib: X-ray crystallography, phase transition and biopharmaceutical studies","CrystEngComm","2021","23","22","3961","3974","10.1039/D1CE00032B","","","0.71073","MoKα","","0.0464","0.0419","","","0.1109","0.1146","","","","","","1.047","","","","has coordinates,has disorder","267118","2021-07-05","17:09:10",""
"7242722","9.4972","0.0018","14.745","0.003","13.181","0.002","90","","90","","90","","1845.8","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H8 Br4 N2 O4 -","- C16 H8 Br4 N2 O4 -","- C64 H32 Br16 N8 O16 -","4","0.5","","Singha, Soumen; Jana, Rajkumar; Mondal, Rituparna; Ray, Partha Pratim; Bag, Partha Pratim; Gupta, Kajal; Pakhira, Nandan; Rizzoli, Corrado; Mallick, Arabinda; Kumar, Sanjay; Saha, Rajat","Photo-responsive Schottky diode behavior of a donor‒acceptor co-crystal with violet blue light emission","CrystEngComm","2021","23","19","3510","3523","10.1039/D1CE00020A","","","0.71073","MoKα","","0.053","0.0278","","","0.054","0.0624","","","","","","1.017","","","","has coordinates","265949","2021-06-05","18:09:09",""
"7242723","17.673","0.004","8.2835","0.0016","21.405","0.003","90","","109.922","0.012","90","","2946","1","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Cl N7 O5 S -","- C25 H38 Cl N7 O5 S -","- C100 H152 Cl4 N28 O20 S4 -","4","1","","Ahmadi, Soroush; Mondal, Pradip Kumar; Mirmehrabi, Mahmoud; Rohani, Sohrab","Desolvation of dasatinib methanolate: an improved anhydrous polymorph","CrystEngComm","2021","23","24","4272","4283","10.1039/D1CE00337B","","","0.71073","MoKα","","0.0749","0.0492","","","0.1223","0.1392","","","","","","1.041","","","","has coordinates,has disorder","267108","2021-07-05","17:06:50",""
"7242724","7.6879","0.0001","16.0216","0.0004","25.5781","0.0006","90","","90","","90","","3150.52","0.12","293","2","293","2","","","","","","","synthesis as described","5","P b n b","-P 2bc 2ab","56","Compound MOF","","","- C31 H30 Co2 N4 O12 -","- C31 H30 Co2 N4 O12 -","- C124 H120 Co8 N16 O48 -","4","0.5","","Ramírez, Daniel J.; Alfonso Herrera, Luis A.; Colorado-Peralta, Raúl; Rodríguez, Rodolfo Peña; Camarillo Reyes, P. K.; Chiñas, Lidia Elena; Sánchez, Mario; Rivera, José María","Highly efficient methyl orange adsorption by UV-012, a new crystalline Co(ii) MOF","CrystEngComm","2021","23","19","3537","3548","10.1039/D0CE00741B","","x-ray","0.71073","MoKα","","0.1092","0.0687","","","0.1972","0.2266","","","","","","1.092","","","","has coordinates","265953","2021-06-05","18:10:11",""
"7242725","12.501","0.003","7.2941","0.0015","15.655","0.003","90","","102.12","0.03","90","","1395.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cd N O6 -","- C14 H6 Cd N O6 -","- C56 H24 Cd4 N4 O24 -","4","1","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.0292","0.0262","","","0.0757","0.0777","","","","","","1.16","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242726","15.1651","0.0003","10.8557","0.0002","16.4832","0.0003","90","","104.808","0.001","90","","2623.47","0.09","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 Cd3 N2 O12 -","- C28 H12 Cd3 N2 O12 -","- C112 H48 Cd12 N8 O48 -","4","0.5","","Tao, Yufang; Jiang, Yansong; Huang, Yating; Liu, Junning; Zhang, Ping; Chen, Xiaodong; Fan, Yong; Wang, Li; Xu, Jianing","Carbon dots@metal‒organic frameworks as dual-functional fluorescent sensors for Fe3+ ions and nitro explosives","CrystEngComm","2021","23","22","4038","4049","10.1039/D1CE00392E","","","0.71073","MoKα","","0.019","0.0186","","","0.0435","0.0437","","","","","","1.125","","","","has coordinates","267110","2021-07-05","17:07:17",""
"7242727","15.113","0.009","7.205","0.004","8.356","0.004","90","","90","","90","","909.9","0.9","250","0.1","250","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","0.5","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0832","0.0513","","","0.1384","0.1647","","","","","","1.057","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242728","16.306","0.005","6.98","0.002","15.165","0.006","90","","90","","90","","1726","1","99.9","0.2","99.9","0.2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C72 H88 N8 O16 -","8","2","","Szklarz, Przemysław; Kinzhybalo, Vasyl; Bator, Grażyna","Ferroelectricity and switching polarization on the C‒H⋯π bond in a pure organic molecular crystal ‒ 1,3,5-trimethylnitrobenzene","CrystEngComm","2021","23","22","4005","4012","10.1039/D1CE00381J","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.1079","0.1198","","","","","","1.056","","","","has coordinates","267112","2021-07-05","17:08:10",""
"7242729","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","271181","2021-12-07","03:10:18",""
"7242730","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Qi, Lei; Wang, Mei; Li, Xinheng","Graphene-induced growth of Co3O4 nanoplates with modulable oxygen vacancies for improved OER properties","CrystEngComm","2021","23","45","7928","7931","10.1039/D1CE00255D","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","271181","2021-12-07","03:10:19",""
"7242731","8.9539","0.0009","11.8195","0.0011","15.091","0.0015","68.416","0.001","87.073","0.002","72.227","0.002","1410.8","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","- C62 H46 N10 O14 Zn2 -","1","0.5","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0656","0.0403","","","0.0925","0.1111","","","","","","1.007","","","","has coordinates","267116","2021-07-05","17:08:51",""
"7242732","10.5809","0.0004","14.2423","0.0005","15.2337","0.0005","96.467","0.001","94.236","0.001","96.373","0.001","2258.27","0.14","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H35 Cd2 N5 O13 -","- C51 H35 Cd2 N5 O13 -","- C102 H70 Cd4 N10 O26 -","2","1","","Gong, Qin; Wang, Jun; Shi, Chuncheng; Liu, Qiang-Qiang; Lu, Lu; Singh, Amita; Kumar, Abhinav","1,3-Bis(4′-carboxylatophenoxy)benzene and 3,5-bis(1-imidazoly)pyridine derived Zn(ii)/Cd(ii) coordination polymers: synthesis, structure and photocatalytic properties","CrystEngComm","2021","23","22","3981","3988","10.1039/D1CE00498K","","","0.71073","MoKα","","0.0386","0.0292","","","0.0719","0.0757","","","","","","1.051","","","","has coordinates","267116","2021-07-05","17:08:52",""
"7242733","9.718","0.01","10.552","0.012","17.4","0.02","88.5","0.04","82.77","0.04","64.17","0.03","1592","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H31 Cl2 O2 P2 Ru S -","- C33 H30 Cl2 O2 P2 Ru S -","- C66 H60 Cl4 O4 P4 Ru2 S2 -","2","1","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.3591","0.1183","","","0.202","0.298","","","","","","0.945","","","","has coordinates","264681","2021-04-29","04:38:42",""
"7242734","11.5311","0.0005","21.0156","0.0008","16.2155","0.0006","90","","94.246","0.002","90","","3918.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N4 O2 P2 Ru -","- C48 H36 N2 O2 P2 Ru -","- C192 H144 N8 O8 P8 Ru4 -","4","1","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.1025","0.0597","","","0.1749","0.1997","","","","","","1.135","","","","has coordinates","264681","2021-04-29","04:38:45",""
"7242735","10.5247","0.0004","11.621","0.0004","12.8705","0.0004","86.888","0.002","77.258","0.002","80.961","0.002","1516.01","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl2 O0 P4 Ru -","- C60 H48 Cl2 P4 Ru -","- C60 H48 Cl2 P4 Ru -","1","0.5","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.0521","0.0478","","","0.1387","0.1437","","","","","","1.029","","","","has coordinates","264681","2021-04-29","04:38:45",""
"7242736","10.0627","0.0004","10.8128","0.0004","20.1657","0.0008","76.224","0.002","79.05","0.003","84.212","0.003","2088.67","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 N2 O4 P2 Ru -","- C49 H40 N2 O4 P2 Ru -","- C98 H80 N4 O8 P4 Ru2 -","2","1","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.0997","0.0537","","","0.1273","0.1518","","","","","","0.943","","","","has coordinates","264681","2021-04-29","04:38:48",""
"7242737","8.902","0.0003","9.3994","0.0004","21.8511","0.0008","90","","90","","90","","1828.36","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O7 -","- C16 H29 N O7 -","- C64 H116 N4 O28 -","4","1","","Weber, Patrick; Fischer, Roland; Nasseri, Seyed A.; Stütz, Arnold E.; Thonhofer, Martin; Withers, Stephen G.; Wolfsgruber, Andreas; Wrodnigg, Tanja M.","New α-galactosidase-inhibiting aminohydroxycyclopentanes","RSC Advances","2021","11","26","15943","15951","10.1039/D1RA02507D","","x-ray","0.71073","MoKα","","0.0353","0.0305","","","0.0729","0.0759","","","","","","1.034","","","","has coordinates","264718","2021-04-30","04:25:07",""
"7242738","8.8147","0.0002","9.9723","0.0002","14.514","0.0004","71.84","0.002","74.029","0.002","82.625","0.002","1164.21","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br N2 O -","- C28 H23 Br N2 O -","- C56 H46 Br2 N4 O2 -","2","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael","Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones","RSC Advances","2021","11","27","16236","16245","10.1039/D1RA02279B","","x-ray","1.54184","CuKα","","0.0392","0.0348","","","0.0984","0.1031","","","","","","1.058","","","","has coordinates,has disorder","264751","2021-05-01","05:04:47",""
"7242739","10.8934","0.0001","6.1836","0.0001","20.9171","0.0002","90","","100.573","0.001","90","","1385.06","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael","Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones","RSC Advances","2021","11","27","16236","16245","10.1039/D1RA02279B","","x-ray","1.54184","CuKα","","0.0414","0.0393","","","0.104","0.1061","","","","","","1.047","","","","has coordinates","264751","2021-05-01","05:04:47",""
"7242740","15.2163","0.0006","15.2163","0.0006","8.191","0.0004","90","","90","","120","","1642.43","0.12","273.15","","273.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 B K N9 -","- C33 H31 B K N9 -","- C66 H62 B2 K2 N18 -","2","0.333333","","Thomas, Jarrod R.; Sulway, Scott A.","In situ tracking and characterisation of scorpionate ligands via11B-NMR spectroscopy","RSC Advances","2021","11","27","16158","16160","10.1039/D0RA10826J","","","0.71073","MoKα","","0.0646","0.0466","","","0.1219","0.1354","","","","","","1.095","","","","has coordinates,has disorder","264752","2021-05-01","05:05:12",""
"7242741","7.1516","0.0005","15.1815","0.001","10.5616","0.0007","90","","90.44","0.002","90","","1146.66","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O8 -","- C10 H11 Dy O8 -","- C40 H44 Dy4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0258","0.0227","","","0.0564","0.058","","","","","","1.079","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242742","7.1288","0.0002","15.1653","0.0004","10.5514","0.0003","90","","90.462","0.001","90","","1140.68","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O8 Tb -","- C10 H11 O8 Tb -","- C40 H44 O32 Tb4 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0347","0.0241","","","0.0437","0.0475","","","","","","1.047","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242743","7.0577","0.0004","15.098","0.0007","10.5128","0.0005","90","","90.412","0.002","90","","1120.19","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 La O8 -","- C10 H7 La O8 -","- C40 H28 La4 O32 -","4","1","","Sen, Rupam; Paul, Sanchayeeta; Sarkar, Alolika; Botas, Alexandre M. P.; Carneiro Neto, Albano N.; Brandão, Paula; Lopes, Armandina M. L.; Ferreira, Rute A. S.; Araújo, João P.; Lin, Zhi","A new series of 3D lanthanide phenoxycarboxylates: synthesis, crystal structure, magnetism and photoluminescence studies","CrystEngComm","2021","23","23","4143","4151","10.1039/D1CE00228G","","","0.71073","MoKα","","0.0344","0.0321","","","0.0908","0.0926","","","","","","1.091","","","","has coordinates","267131","2021-07-05","17:13:28",""
"7242744","11.3341","0.0011","21.413","0.002","14.0095","0.0013","90","","108.101","0.002","90","","3231.8","0.5","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 N16 Ni2 O36 P0 S4 W10 -","- C32 H40 N16 Ni2 O36 S4 W10 -","- C64 H80 N32 Ni4 O72 S8 W20 -","2","0.5","","Xing, Cuili; Ma, Pengtao; Zhao, Meng; Chang, Jiangnan; Guo, Xiaoyuan; Sun, Lin; Li, Mingxue","Facile and green synthesis of decatungstate-based nickel(ii) complex coated onto modified Fe3O4 nanoparticles with enhanced antimicrobial activity against antibiotic-resistant bacteria","CrystEngComm","2021","23","21","3919","3928","10.1039/D1CE00421B","","","0.71073","MoKα","","0.0477","0.0385","","","0.0945","0.0985","","","","","","1.022","","","","has coordinates","265994","2021-06-05","18:21:00",""
"7242745","12.1026","0.0004","16.5399","0.0008","19.7752","0.0007","90","","90","","90","","3958.5","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N2 O6 Zn -","- C21 H18 N2 O6 Zn -","- C168 H144 N16 O48 Zn8 -","8","1","","Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu","A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","22","4059","4068","10.1039/D1CE00323B","","x-ray","0.71073","MoKα","","0.1049","0.0656","","","0.158","0.186","","","","","","1.028","","","","has coordinates","267119","2021-07-05","17:09:17",""
"7242746","31.5211","0.0004","14.7867","0.0002","33.4555","0.0005","90","","112.551","0.002","90","","14401.1","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C47 H41 N3 O2 -","- C47 H41 N3 O2 -","- C752 H656 N48 O32 -","16","4","","Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D.","Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01125A","","","1.54178","CuKα","","0.0891","0.0783","","","0.2115","0.2221","","","","","","1.036","","","","has coordinates","264850","2021-05-05","03:44:46",""
"7242747","21.61054","0.00014","13.8187","0.00007","28.98487","0.00019","90","","110.27","0.0007","90","","8119.7","0.09","100","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C51 H49 N3 O2 -","- C51 H49 N3 O2 -","- C408 H392 N24 O16 -","8","4","","Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D.","Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01125A","","","1.54178","CuKα","","0.1892","0.1861","","","0.4471","0.4545","","","","","","2.096","","","","has coordinates,has disorder","264850","2021-05-05","03:44:47",""
"7242748","7.8928","0.0007","19.9184","0.0017","10.8042","0.0009","90","","106.081","0.003","90","","1632.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Co N4 O5 -","- C14 H18 Cl Co N4 O5 -","- C56 H72 Cl4 Co4 N16 O20 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0557","0.0386","","","0.0933","0.1017","","","","","","1.005","","","","has coordinates","264851","2021-05-05","04:10:42",""
"7242749","10.4922","0.0007","10.59","0.0007","15.1072","0.001","90","","90","","90","","1678.6","0.19","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Co N5 O7 -","- C14 H16 Co N5 O7 -","- C56 H64 Co4 N20 O28 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.04","0.0308","","","0.0738","0.0776","","","","","","1.039","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242750","21.1914","0.001","24.4687","0.0011","11.0348","0.0005","90","","93.193","0.002","90","","5712.9","0.5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C46 H67 Cl2 Co2 N9 O8 -","- C46 H67 Cl2 Co2 N9 O8 -","- C184 H268 Cl8 Co8 N36 O32 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","1.54178","CuKα","","0.0857","0.0617","","","0.1593","0.1755","","","","","","1.005","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242751","8.2215","0.0006","10.3798","0.0008","14.8086","0.0011","72.939","0.002","75.785","0.002","89.555","0.002","1168.3","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Cl4 Co3 N8 O20 -","- C28 H56 Cl4 Co3 N8 O20 -","- C28 H56 Cl4 Co3 N8 O20 -","1","0.5","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.022","0.0205","","","0.0565","0.0575","","","","","","1.028","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242752","8.3937","0.0009","14.4906","0.0016","15.5726","0.0018","90","","97.479","0.004","90","","1878","0.4","293","2","293.48","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 Co N4 -","- C20 H16 Cl2 Co N4 -","- C80 H64 Cl8 Co4 N16 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0525","0.03","","","0.0747","0.079","","","","","","1.017","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242753","14.3084","0.0013","15.7813","0.0015","19.9421","0.0018","71.816","0.003","77.578","0.003","64.57","0.003","3846.3","0.6","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cl Co N4 O4 -","- C22 H32 Cl Co N4 O4 -","- C88 H128 Cl4 Co4 N16 O16 -","4","2","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.1152","0.1066","","","0.3296","0.3402","","","","","","1.242","","","","has coordinates,has disorder","264851","2021-05-05","04:10:43",""
"7242754","21.034","0.0016","8.2876","0.0006","25.1217","0.0019","90","","90","","90","","4379.2","0.6","172","2","171.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Co F6 N4 O4 P -","- C14 H16 Co F6 N4 O4 P -","- C112 H128 Co8 F48 N32 O32 P8 -","8","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0411","0.0319","","","0.0935","0.0976","","","","","","1.039","","","","has coordinates","264851","2021-05-05","04:10:44",""
"7242755","13.033","0.015","13.033","0.015","44.95","0.05","90","","90","","120","","6612","13","100","2","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C37 H43 N7 O18 -","- C37 H43 N7 O18 -","- C222 H258 N42 O108 -","6","1","","O'Reilly, Ciaran; Blasco, Salvador; Parekh, Bina; Collins, Helen; Cooke, Gordon; Gunnlaugsson, Thorfinnur; Byrne, Joseph P.","Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation","RSC Advances","2021","11","27","16318","16325","10.1039/D0RA05107A","","","1.54178","CuKα","","0.0707","0.0618","","","0.1449","0.1507","","","","","","1.075","","","","has coordinates","264980","2021-05-06","04:04:58",""
"7242756","15.5044","0.0013","7.5706","0.0005","17.2282","0.0015","90","","110.423","0.002","90","","1895.1","0.3","301","2","301.18","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H0.25 Cl N2 O5 Zn -","- C18 H11 Cl N2 O5 Zn -","- C72 H44 Cl4 N8 O20 Zn4 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","","0.71073","MoKα","","0.1124","0.0997","","","0.3133","0.3304","","","","","","1.444","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242757","15.4911","0.0004","7.5672","0.0002","17.2289","0.0005","90","","110.483","0.003","90","","1891.95","0.1","300.49","0.1","300.49","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cd Cl N2 O3.75 -","- C18 H13 Cd Cl N2 O5 -","- C72 H52 Cd4 Cl4 N8 O20 -","4","1","","Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong","Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches","CrystEngComm","2021","23","21","3856","3860","10.1039/D1CE00072A","","x-ray","0.71073","MoKα","","0.0578","0.0497","","","0.1791","0.1873","","","","","","1.436","","","","has coordinates","265996","2021-06-05","18:21:19",""
"7242758","3.8289","0.0004","17.8979","0.0017","16.8534","0.0016","90","","92.005","0.003","90","","1154.2","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium-organic Compound","","","- C11 H7 Cd N O5 S -","- C11 H7 Cd N O5 S -","- C44 H28 Cd4 N4 O20 S4 -","4","1","","Majee, Prakash; Singha, Debal Kanti; Daga, Pooja; Hui, Sayani; Mahata, Partha; Mondal, Sudip Kumar","Photophysical studies of a room temperature phosphorescent Cd(ii) based MOF and its application towards ratiometric detection of Hg2+ ions in water","CrystEngComm","2021","23","23","4160","4168","10.1039/D1CE00333J","","","0.71073","MoKα","","0.0378","0.0331","","","0.1063","0.1171","","","","","","1.361","","","","has coordinates","267132","2021-07-05","17:13:34",""
"7242759","7.878","0.0006","3.9147","0.0004","15.6886","0.0014","90","","102.569","0.007","90","","472.24","0.07","163","","163","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0624","0.0452","","","0.1146","0.1295","","","","","","1.054","","","","has coordinates","268688","2021-09-06","10:32:24",""
"7242760","7.8729","0.0008","3.9195","0.0005","15.7126","0.0018","90","","102.604","0.01","90","","473.17","0.1","178","","178","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0773","0.0512","","","0.123","0.1443","","","","","","1.008","","","","has coordinates","268688","2021-09-06","10:32:28",""
"7242761","7.8702","0.0009","3.9302","0.0006","15.732","0.002","90","","102.573","0.012","90","","474.94","0.11","193","","193","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0841","0.052","","","0.1191","0.1411","","","","","","0.995","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242762","7.8864","0.0007","3.9488","0.0005","15.774","0.002","90","","102.624","0.01","90","","479.36","0.1","238","","238","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.08","0.0489","","","0.1093","0.1304","","","","","","1.036","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242763","7.8846","0.0008","3.9372","0.0005","15.754","0.002","90","","102.594","0.012","90","","477.29","0.1","208","","208","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1259","0.0554","","","0.0911","0.1103","","","","","","0.89","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242764","7.8876","0.0007","3.9434","0.0004","15.7578","0.0019","90","","102.624","0.011","90","","478.28","0.09","223","","223","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0904","0.0533","","","0.1138","0.1367","","","","","","1.01","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242765","7.8728","0.0007","3.9608","0.0005","15.7845","0.0019","90","","102.664","0.009","90","","480.23","0.1","268","","268","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.1077","0.0547","","","0.1249","0.1601","","","","","","1.003","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242766","7.8662","0.0004","3.966","0.0003","15.7823","0.0011","90","","102.696","0.006","90","","480.33","0.06","298","","298","0.02","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0724","0.0467","","","0.1153","0.1374","","","","","","1.046","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242767","7.8758","0.0008","3.9534","0.0005","15.7573","0.0016","90","","102.653","0.01","90","","478.71","0.09","253","","253","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AnthraQuinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.0956","0.0551","","","0.123","0.1554","","","","","","1.022","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242768","7.8868","0.001","3.9718","0.0005","15.822","0.002","90","","102.719","0.013","90","","483.46","0.11","283","","283","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Anthraquinone","9,10-Anthracenedione","","- C14 H8 O2 -","- C14 H8 O2 -","- C28 H16 O4 -","2","0.5","","Rather, Sumair A.; Saha, Binoy K.","Understanding the elastic bending mechanism in a 9,10-anthraquinone crystal through thermal expansion study","CrystEngComm","2021","23","34","5768","5773","10.1039/D1CE00467K","","","0.71073","MoKα","","0.12","0.0572","","","0.1209","0.1616","","","","","","1.005","","","","has coordinates","268688","2021-09-06","10:32:31",""
"7242769","19.7195","0.0004","8.9435","0.0002","37.5526","0.001","90","","90","","90","","6622.8","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.0608","0.0473","","","0.0888","0.0922","","","","","","1.154","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242770","19.7647","0.0007","8.9121","0.0004","38.0935","0.0015","90","","90","","90","","6710","0.5","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2_Hex","","- C32 H54 O4 Rh2 S2 -","- C32 H54 O4 Rh2 S2 -","- C256 H432 O32 Rh16 S16 -","8","1","","Nakai, Hidetaka; Kajiwara, Yuu; Miyata, Seiya","Molecular motion in organometallic crystals: photoinduced 2π/5 rotation of n-hexyltetramethylcyclopentadienyl ligand","CrystEngComm","2021","23","21","3790","3793","10.1039/D1CE00093D","","","0.71075","MoKα","","0.1142","0.0906","","","0.1879","0.1956","","","","","","1.285","","","","has coordinates","265995","2021-06-05","18:21:12",""
"7242771","3.8711","0.0003","11.149","0.001","32.557","0.003","90","","90","","90","","1405.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","E-ArF2","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K.","Light-fueled rapid macroscopic motion of a green fluorescent organic crystal","CrystEngComm","2021","23","34","5876","5881","10.1039/D1CE00460C","","","0.71073","MoKα","","0.0487","0.0396","","","0.1265","0.141","","","","","","1.196","","","","has coordinates","268693","2021-09-06","10:33:19",""
"7242772","8.34","0.002","25.809","0.007","10.622","0.003","90","","94.689","0.007","90","","2278.7","1","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N4 O6 -","- C22 H26 N4 O6 -","- C88 H104 N16 O24 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1506","0.0765","","","0.1482","0.1784","","","","","","1.022","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242773","9.2955","0.001","9.6189","0.001","11.1769","0.0012","68.975","0.002","70.514","0.002","82.886","0.002","879.38","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C38 H40 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0489","0.041","","","0.1033","0.109","","","","","","1.037","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242774","9.4667","0.001","9.5371","0.001","10.9139","0.0011","71.045","0.002","72.014","0.002","82.789","0.002","886.04","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O3 -","- C19 H22 N4 O3 -","- C38 H44 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0588","0.0414","","","0.0963","0.1085","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242775","10.8013","0.0008","14.882","0.0011","16.5499","0.0012","100.215","0.0016","108.537","0.0016","109.034","0.0017","2264.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O5 -","- C24 H30 N4 O5 -","- C96 H120 N16 O20 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.09","0.05","","","0.1057","0.1257","","","","","","1.02","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242776","10.866","0.0005","12.6977","0.0006","15.5356","0.0007","90","","90","","90","","2143.5","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0405","0.0353","","","0.0936","0.0989","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242777","15.1775","0.0015","11.3912","0.0011","9.0508","0.0009","90","","99.279","0.002","90","","1544.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.069","0.0478","","","0.1104","0.1224","","","","","","1.019","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242778","8.985","0.0004","23.1322","0.0011","9.9624","0.0005","90","","109.782","0.001","90","","1948.42","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0698","0.0483","","","0.1026","0.1153","","","","","","1.028","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242779","12.3392","0.0012","8.4864","0.0008","34.065","0.003","90","","99.814","0.002","90","","3514.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C160 H176 N32 O16 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.103","0.0586","","","0.1199","0.1412","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242780","8.2337","0.0009","10.7773","0.0012","12.997","0.0014","98.025","0.003","97.959","0.003","91.457","0.003","1129.8","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C48 H60 N8 O8 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0839","0.0532","","","0.1141","0.1283","","","","","","1.03","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242781","12.7245","0.0007","9.4309","0.0005","17.0038","0.0009","90","","100.219","0.001","90","","2008.15","0.19","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O3 -","- C21 H26 N4 O3 -","- C84 H104 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.075","0.0459","","","0.1053","0.1213","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242782","13.2527","0.0011","13.5955","0.0011","14.5032","0.0012","112.5","0.0017","98.1336","0.0017","104.91","0.0018","2247.1","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 N5 O2 -","- C25 H27 N5 O2 -","- C100 H108 N20 O8 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0831","0.053","","","0.1278","0.1466","","","","","","1.025","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242783","8.0523","0.001","10.7345","0.0013","13.0559","0.0016","97.828","0.003","97.868","0.003","91.711","0.003","1106.1","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N4 O3 -","- C23 H28 N4 O3 -","- C46 H56 N8 O6 -","2","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1072","0.0584","","","0.1163","0.1403","","","","","","1.009","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242784","10.5144","0.0006","13.2689","0.0007","15.6124","0.0008","90","","91.5967","0.0012","90","","2177.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O3 -","- C24 H28 N4 O3 -","- C96 H112 N16 O12 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0754","0.0473","","","0.1031","0.1177","","","","","","1.009","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242785","12.5231","0.0009","12.9844","0.001","13.4742","0.001","103.876","0.0016","96.9424","0.0017","97.186","0.0017","2084.3","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O3 -","- C22 H28 N4 O3 -","- C88 H112 N16 O12 -","4","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0905","0.0572","","","0.1335","0.151","","","","","","1.014","","","","has coordinates,has disorder","267105","2021-07-05","17:06:25",""
"7242786","12.6677","0.0014","9.9394","0.0011","16.7019","0.0018","90","","101.334","0.002","90","","2061.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N5 O2 -","- C22 H25 N5 O2 -","- C88 H100 N20 O8 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0756","0.0474","","","0.1106","0.1266","","","","","","1.016","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242787","14.6755","0.0014","17.8903","0.0016","16.1564","0.0015","90","","91.586","0.002","90","","4240.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C176 H208 N32 O32 -","8","2","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.1134","0.0553","","","0.1041","0.1302","","","","","","1.01","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242788","12.8477","0.0015","10.4635","0.0011","26.812","0.003","90","","93.96","0.002","90","","3595.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 N8 O10 -","- C36 H36 N8 O10 -","- C144 H144 N32 O40 -","4","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.0933","0.0576","","","0.1389","0.1618","","","","","","1.022","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242789","6.428","0.005","10.302","0.008","25.248","0.019","90","","89.053","0.015","90","","1672","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 N6 O8 -","- C40 H30 N6 O8 -","- C80 H60 N12 O16 -","2","0.5","","Liu, Jian-Jun; Xia, Shu-Biao; Liu, Teng; Liu, Jia-Ming; Cheng, Fei-Xiang","A two-component molecular hybrid with enhanced emission characteristics and mechanoresponsive luminescence properties","CrystEngComm","2021","23","24","4320","4326","10.1039/D1CE00465D","","","0.71073","MoKα","","0.1253","0.0836","","","0.2318","0.2924","","","","","","1.078","","","","has coordinates","267107","2021-07-05","17:06:44",""
"7242790","11.5075","0.0004","12.0506","0.0006","19.3113","0.001","76.208","0.005","84.833","0.004","85.902","0.003","2586.7","0.2","140","2","140.1","0.8","","","","","","","","5","P -1","-P 1","2","","","","- C74 H154 Mo12 N8 O36 -","- C74 H154 Mo12 N8 O36 -","- C74 H154 Mo12 N8 O36 -","1","0.5","","Al-Yasari, Ahmed; El Moll, Hani; Purdy, Ryan; Vincent, Kevin B.; Spence, Philip; Malval, Jean-Pierre; Fielden, John","Optical, Third Order Non-Linear Optical and Electrochemical Properties of Dipolar, Centrosymmetric and C2v Organoimido Polyoxometalate Derivatives","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D0CP06610A","","","0.71073","MoKα","","0.2043","0.0877","","","0.1432","0.1956","","","","","","0.966","","","","has coordinates","265053","2021-05-08","03:44:49",""
"7242791","10.6166","0.0004","13.9034","0.0005","19.5343","0.0006","94.873","0.001","102.529","0.001","92.85","0.001","2797.67","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H112 Co14 N24 Na2 O48 S12 -","- C60 H112 Co14 N24 Na2 O48 S12 -","- C60 H112 Co14 N24 Na2 O48 S12 -","1","0.5","","Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.","How to identify a smoker: a salient crystallographic approach to detect thiocyanate content","RSC Advances","2021","11","28","16881","16891","10.1039/D1RA01749G","","","0.71073","MoKα","","0.0696","0.0501","","","0.115","0.1297","","","","","","1.0481","","","","has coordinates","265054","2021-05-08","04:10:15",""
"7242792","12.3559","0.0008","12.4348","0.0008","20.8341","0.0013","82.586","0.002","81.206","0.002","68.792","0.002","2939.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H128 Co14 N24 O37 S12 -","- C76 H128 Co14 N24 O37 S12 -","- C76 H128 Co14 N24 O37 S12 -","1","0.5","","Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.","How to identify a smoker: a salient crystallographic approach to detect thiocyanate content","RSC Advances","2021","11","28","16881","16891","10.1039/D1RA01749G","","","0.71073","MoKα","","0.0877","0.0784","","","0.211","0.2202","","","","","","1.0464","","","","has coordinates","265054","2021-05-08","04:10:16",""
"7242793","10.4453","0.0005","22.5325","0.0009","22.4558","0.001","90","","91.003","0.002","90","","5284.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H48 Co7 N10 O20 S5 -","- C29 H48 Co7 N10 O20 S5 -","- C116 H192 Co28 N40 O80 S20 -","4","1","","Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.","How to identify a smoker: a salient crystallographic approach to detect thiocyanate content","RSC Advances","2021","11","28","16881","16891","10.1039/D1RA01749G","","","0.71073","MoKα","","0.0639","0.0508","","","0.1366","0.1503","","","","","","1.082","","","","has coordinates,has disorder","265054","2021-05-08","04:10:16",""
"7242794","14.366","0.002","24.779","0.004","11.2288","0.0019","90","","90.011","0.002","90","","3997.2","1.1","143","2","143","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H29 N4 O4 Zn -","- C44 H29 N4 O4 Zn -","- C176 H116 N16 O16 Zn4 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang","Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand","RSC Advances","2021","11","28","16989","16995","10.1039/D1RA00726B","","","0.71073","MoKα","","0.1413","0.0949","","","0.2634","0.3028","","","","","","1.037","","","","has coordinates,has disorder","265055","2021-05-08","04:11:27",""
"7242795","11.885","0.003","32.905","0.008","10.927","0.003","90","","98.71","0.003","90","","4224","1.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cd N4 O5 -","- C47 H32 Cd N4 O5 -","- C188 H128 Cd4 N16 O20 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang","Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand","RSC Advances","2021","11","28","16989","16995","10.1039/D1RA00726B","","","0.71073","MoKα","","0.1099","0.0878","","","0.2247","0.2391","","","","","","1.081","","","","has coordinates,has disorder","265055","2021-05-08","04:11:28",""
"7242796","8.04","0.005","27.239","0.017","25.707","0.016","90","","97.818","0.008","90","","5578","6","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H40 N4 O8 Zn2 -","- C61 H40 N4 O8 Zn2 -","- C244 H160 N16 O32 Zn8 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang","Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand","RSC Advances","2021","11","28","16989","16995","10.1039/D1RA00726B","","x-ray","0.71073","MoKα","","0.091","0.0677","","","0.1597","0.17","","","","","","1.122","","","","has coordinates","265055","2021-05-08","04:11:28",""
"7242797","24.8541","0.0011","6.7596","0.0003","15.6816","0.0006","90","","104.869","0.004","90","","2546.35","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2ECN","","- C2.75 H1.83 N0.17 O0.17 -","- C2.75 H1.83333 N0.166667 O0.166667 -","- C132 H88 N8 O8 -","48","12","","Kondo, Mizuho; Morita, Yuya; Nishida, Jun-ichi; Kawase, Takeshi; Kawatsuki, Nobuhiro","Mechano-induced photoluminescence colour change in an alkyltolane-terminated cyanostilbene","CrystEngComm","2021","23","34","5869","5875","10.1039/D1CE00456E","","x-ray","0.71073","MoKα","","0.1206","0.0617","","","0.1564","0.1927","","","","","","1.013","","","","has coordinates","268689","2021-09-06","10:32:38",""
"7242798","18.892","0.004","6.2547","0.0015","24.173","0.006","90","","104.589","0.004","90","","2764.3","1.1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine fumaric acid cocrystal","","- C10 H16.22 Cl N5 O2.11 -","- C10 H16.22 Cl N5 O2.11 -","- C80 H129.76 Cl8 N40 O16.88 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0971","0.0863","","","0.2048","0.2128","","","","","","1.168","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242799","9.1659","0.0007","9.5067","0.0008","9.6825","0.0008","77.541","0.007","72.346","0.007","67.479","0.007","737.89","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N6 O3 S -","- C9 H18 N6 O3 S -","- C18 H36 N12 O6 S2 -","2","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0861","0.0657","","","0.1805","0.195","","","","","","1.046","","","","has coordinates,has disorder","267102","2021-07-05","17:05:24",""
"7242800","8.2238","0.0003","10.1689","0.0003","19.8066","0.0005","90","","99.017","0.003","90","","1635.9","0.09","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F3 N5 O2 S -","- C11 H18 F3 N5 O2 S -","- C44 H72 F12 N20 O8 S4 -","4","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","","0.71073","MoKα","","0.0948","0.0711","","","0.2156","0.2365","","","","","","1.041","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242801","18.922","0.013","6.297","0.004","24.311","0.016","90","","104.748","0.006","90","","2801","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Atrazine Fumaric acid cocrystal (dehydrate)","","- C10 H16 Cl N5 O2 -","- C10 H16 Cl N5 O2 -","- C80 H128 Cl8 N40 O16 -","8","1","","da Silva, Amandha Kaiser; Diniz, Luan F.; Tenorio, Juan C.; Nazário, Carlos E. D.; Ribeiro, Caue; Carvalho Jr, Paulo S.","Driving a sustainable application of s-triazine ametryn and atrazine herbicides through multicomponent crystals with improved solubility","CrystEngComm","2021","23","24","4252","4263","10.1039/D1CE00356A","","x-ray","0.71073","MoKα","","0.0975","0.0879","","","0.205","0.2112","","","","","","1.229","","","","has coordinates","267102","2021-07-05","17:05:24",""
"7242802","13.9445","0.0012","19.9094","0.0016","10.1085","0.0009","90","","90","","90","","2806.4","0.4","298","2","298.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C44 H66 Mn N14 O22 P2 -","- C44 H50 Mn N14 O22 P2 -","- C88 H100 Mn2 N28 O44 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","","0.71073","MoKα","","0.0968","0.0593","","","0.1472","0.1737","","","","","","1.025","","","","has coordinates,has disorder","267133","2021-07-05","17:13:43",""
"7242803","6.8541","0.0005","10.2632","0.0007","14.0271","0.001","111.04","0.002","93.282","0.002","92.104","0.002","917.7","0.11","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","amp-cd-bpe","","- C22 H42 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","- C22 H32 Cd N7 O17 P -","1","1","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0244","0.0243","","","0.066","0.066","","","","","","1.085","","","","has coordinates","267133","2021-07-05","17:13:45",""
"7242804","13.9986","0.0005","19.9756","0.0007","10.1006","0.0004","90","","90","","90","","2824.44","0.18","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","damp-cd-bpe-MI-343","","- C45 H62 Cd N14 O19 P2 -","- C45 H50 Cd N14 O19 P2 -","- C90 H100 Cd2 N28 O38 P4 -","2","0.5","","Iqbal, Muhammad Javed; Li, Zhongkui; Khan, Maroof Ahmad; Zhu, Yanhong; Hussain, Wajid; Su, Hao; Qiu, Qi-Ming; Shoukat, Rizwan; Li, Hui","Studies on the structure and chirality of A-motif in adenosine monophosphate nucleotide metal coordination complexes","CrystEngComm","2021","23","23","4175","4180","10.1039/D1CE00276G","","x-ray","0.71073","MoKα","","0.0626","0.0459","","","0.1151","0.1241","","","","","","1.027","","","","has coordinates,has disorder","267133","2021-07-05","17:13:45",""
"7242805","8.083","0.0003","9.0956","0.0003","15.0054","0.0006","82.8035","0.0014","80.0928","0.0013","71.2636","0.0012","1026.25","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl8 N4 O6 -","- C40 H34 Cl8 N4 O6 -","- C40 H34 Cl8 N4 O6 -","1","0.5","","Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L.","A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00956G","","","0.71073","MoKα","","0.0382","0.0335","","","0.0869","0.0899","","","","","","1.062","","","","has coordinates","265084","2021-05-11","03:48:17",""
"7242806","8.8026","0.0003","8.8626","0.0003","29.7363","0.001","83.6323","0.001","85.5987","0.0013","89.666","0.0012","2298.73","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cl4 N2 O5 -","- C22 H18 Cl4 N2 O5 -","- C88 H72 Cl16 N8 O20 -","4","2","","Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L.","A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00956G","","","0.71073","MoKα","","0.0606","0.0525","","","0.1188","0.1222","","","","","","1.106","","","","has coordinates","265084","2021-05-11","03:48:18",""
"7242807","8.1544","0.0002","8.9059","0.0002","14.8899","0.0004","81.5113","0.0008","81.5921","0.0008","70.0821","0.0007","1000.15","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cl8 N4 O6 -","- C40 H32 Cl8 N4 O6 -","- C40 H32 Cl8 N4 O6 -","1","0.5","","Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L.","A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00956G","","","0.71073","MoKα","","0.0282","0.0262","","","0.0629","0.0639","","","","","","1.065","","","","has coordinates","265084","2021-05-11","03:48:18",""
"7242808","12.6233","0.0009","13.3497","0.0009","16.0081","0.0011","103.462","0.003","100.435","0.003","113.091","0.002","2298.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Cl8 N4 O6 -","- C42 H38 Cl8 N4 O6 -","- C84 H76 Cl16 N8 O12 -","2","1","","Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L.","A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00956G","","","0.71073","MoKα","","0.0784","0.0427","","","0.0993","0.111","","","","","","1.057","","","","has coordinates","265084","2021-05-11","03:48:18",""
"7242809","7.9812","0.0004","32.6965","0.0016","14.5964","0.0007","90","","91.2751","0.0016","90","","3808.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl8 N4 O3 -","- C36 H30 Cl8 N4 O3 -","- C144 H120 Cl32 N16 O12 -","4","1","","Drozd, Ksenia V.; Manin, Alex N.; Voronin, Alexander P.; Boycov, Denis; Andrei, Churakov; Perlovich, German L.","A combined experimental and theoretical study of miconazole salts and cocrystals: crystal structures, DFT computations, formation thermodynamics and solubility improvement","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00956G","","","0.71073","MoKα","","0.07","0.0657","","","0.1193","0.1209","","","","","","1.316","","","","has coordinates","265084","2021-05-11","03:48:18",""
"7242810","9.5008","0.0006","10.3315","0.0006","11.4636","0.0007","86.225","0.001","76.084","0.001","67.841","0.001","1011.15","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","- C42 H38 Co N4 O12 -","1","0.5","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0637","0.0443","","","0.1162","0.126","","","","","","1.006","","","","has coordinates","265992","2021-06-05","18:20:23",""
"7242811","8.618","0.0011","9.1037","0.0012","13.5328","0.0017","79.294","0.002","72.69","0.002","74.067","0.002","968.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N2 O6 -","- C20 H22 Co N2 O6 -","- C40 H44 Co2 N4 O12 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0442","0.0346","","","0.0904","0.0968","","","","","","1.01","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242812","28.979","0.013","10.115","0.005","17.028","0.008","90","","95.201","0.011","90","","4971","4","296","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Co N4 O7 -","- C29 H23 Co N4 O7 -","- C232 H184 Co8 N32 O56 -","8","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1613","0.0925","","","0.2138","0.2539","","","","","","1.035","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242813","15.6969","0.0008","7.7903","0.0004","31.0089","0.0017","90","","94.603","0.001","90","","3779.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Co2 N6 O13 -","- C40 H34 Co2 N6 O13 -","- C160 H136 Co8 N24 O52 -","4","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1095","0.0545","","","0.1526","0.1855","","","","","","1.015","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242814","8.641","0.001","14.144","0.0017","17.121","0.002","82.368","0.003","76.967","0.003","73.737","0.003","1951.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Co N4 O8 -","- C36 H30 Co N4 O8 -","- C72 H60 Co2 N8 O16 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.0943","0.0574","","","0.146","0.1667","","","","","","0.967","","","","has coordinates,has disorder","265992","2021-06-05","18:20:24",""
"7242815","12.9385","0.0019","15.954","0.002","16.193","0.002","113.997","0.003","101.122","0.003","92.4","0.003","2969.2","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 Co2 N10 O19 -","- C64 H51 Co2 N10 O19 -","- C128 H102 Co4 N20 O38 -","2","1","","Lu, Xue; Zhao, Ying; Wang, Xiu-Li; Liu, Guo-Cheng; Xu, Na; Lin, Hong-Yan; Wang, Xiang","Six CoII coordination polymers exhibiting UV-light-driven photocatalysis for the degradation of organic dyes","CrystEngComm","2021","23","21","3828","3837","10.1039/D1CE00345C","","","0.71069","MoKα","","0.1457","0.0596","","","0.1155","0.1458","","","","","","0.997","","","","has coordinates","265992","2021-06-05","18:20:24",""
"7242816","12.3545","0.0004","11.999","0.0004","14.3274","0.0006","90","","94.051","0.001","90","","2118.61","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O2 S -","- C23 H21 Br N2 O2 S -","- C92 H84 Br4 N8 O8 S4 -","4","1","","He, Han; Xu, Ning; Zhang, Honglin; Chen, Bin; Hu, Zhengnan; Guo, Kang; Chun, Jianlin; Cao, Shujun; Zhu, Yingguang","Brønsted acid-promoted hydroamination of unsaturated hydrazones: access to biologically important 5-arylpyrazolines","RSC Advances","2021","11","28","17340","17345","10.1039/D1RA03043D","","","0.71073","MoKα","","0.0672","0.043","","","0.1048","0.1167","","","","","","1.016","","","","has coordinates","265124","2021-05-12","04:02:22",""
"7242817","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","267109","2021-07-05","17:07:10",""
"7242818","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","267109","2021-07-05","17:07:10",""
"7242819","10.51","0.04","12.83","0.14","11.14","0.1","90","","100.2","0.6","90","","1478","2","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H34 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2289","0.1564","","","0.359","0.4145","","","","","","1.02","","","","has coordinates","265167","2021-05-13","04:03:55",""
"7242820","10.35","0.07","12.5","0.2","11.52","0.18","90","","103.7","0.7","90","","1448","3","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2348","0.1582","","","0.3548","0.4009","","","","","","1.027","","","","has coordinates","265167","2021-05-13","04:03:58",""
"7242821","10.03","0.07","12.2","0.2","11.44","0.18","90","","104.4","0.7","90","","1356","3","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2346","0.1592","","","0.3599","0.4041","","","","","","1.033","","","","has coordinates","265167","2021-05-13","04:03:59",""
"7242822","10.21","0.04","12.49","0.14","10.85","0.1","90","","100.9","0.6","90","","1359","2","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H34 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2331","0.1609","","","0.368","0.4225","","","","","","1.042","","","","has coordinates","265167","2021-05-13","04:03:59",""
"7242823","5.64","0.003","11.024","0.006","28.315","0.015","90","","92.102","0.012","90","","1759.3","1.6","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H18 O8 Th -","- C34 H18 O8 Th -","- C68 H36 O16 Th2 -","2","0.5","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.119","0.097","","","0.2586","0.2768","","","","","","1.064","","","","has coordinates","265168","2021-05-13","04:04:47",""
"7242824","12.077","0.0015","31.421","0.004","14.83","0.002","90","","112.117","0.004","90","","5213.5","1.2","190","2","189.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N O10 Th -","- C37 H27 N O10 Th -","- C148 H108 N4 O40 Th4 -","4","1","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.1238","0.0949","","","0.2562","0.2882","","","","","","1.042","","","","has coordinates","265168","2021-05-13","04:04:48",""
"7242825","33.443","0.002","16.4404","0.0009","20.0127","0.0012","90","","90","","90","","11003.3","1.1","170","2","170","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C34 H18 O15 Th2 -","- C34 H18 O15 Th2 -","- C272 H144 O120 Th16 -","8","0.5","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.0997","0.0808","","","0.2164","0.2356","","","","","","1.061","","","","has coordinates","265168","2021-05-13","04:04:48",""
"7242826","19.3983","0.0008","23.5501","0.0012","18.7638","0.0007","90","","90","","90","","8571.9","0.6","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H114 Cl7 Cr2 Dy5 O90 -","- C22 H42 Cl2 Cr2 Dy5 O49 -","- C88 H168 Cl8 Cr8 Dy20 O196 -","4","0.5","","Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying","A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect","RSC Advances","2021","11","28","17346","17351","10.1039/D1RA02734D","","","1.54186","CuKα","","0.1084","0.0673","","","0.1663","0.1891","","","","","","1.002","","","","has coordinates","265169","2021-05-13","04:05:44",""
"7242827","19.483","0","23.488","0","18.895","0","90","","90","","90","","8646.67","","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H138 Cl7 Cr2 Gd5 O102 -","- C22 H44.2 Cl2 Cr2 Gd5 O48.74 -","- C88 H176.8 Cl8 Cr8 Gd20 O194.96 -","4","0.5","","Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying","A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect","RSC Advances","2021","11","28","17346","17351","10.1039/D1RA02734D","","","1.54186","CuKα","","0.1088","0.0709","","","0.1754","0.1984","","","","","","1.04","","","","has coordinates","265169","2021-05-13","04:05:44",""
"7242828","6.899","0.0006","9.0065","0.0008","10.5354","0.0009","67.043","0.002","74.813","0.0019","69.918","0.002","559.89","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","- C24 H16 F4 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0697","0.0668","","","0.156","0.16","","","","","","1.031","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242829","7.6854","0.0001","9.3757","0.0002","14.3001","0.0003","78.9336","0.0008","76.5682","0.0008","76.3666","0.0007","963.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","- C44 H28 F10 I2 N2 -","1","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0276","0.0243","","","0.0534","0.0549","","","","","","1.003","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242830","4.0202","0.0001","27.092","0.0011","13.0226","0.0005","90","","93.8344","0.001","90","","1415.18","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 F10 I2 N2 -","- C30 H16 F10 I2 N2 -","- C60 H32 F20 I4 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0357","0.0327","","","0.0589","0.0598","","","","","","1.252","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242831","7.42","0.0004","17.8302","0.001","35.8919","0.0019","90","","90","","90","","4748.5","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C192 H128 F24 I24 N16 -","8","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0507","0.0358","","","0.0712","0.0768","","","","","","1.009","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242832","5.511","0.0003","18.5899","0.0011","23.7423","0.0013","90","","90","","90","","2432.4","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 F3 I3 N2 -","- C24 H16 F3 I3 N2 -","- C96 H64 F12 I12 N8 -","4","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0485","0.0317","","","0.0626","0.0706","","","","","","1.01","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242833","7.782","0.0003","33.4952","0.0014","9.1815","0.0004","90","","114.99","0.0011","90","","2169.2","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 F6 I6 N2 -","- C44 H28 F6 I6 N2 -","- C88 H56 F12 I12 N4 -","2","0.5","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.0432","0.0353","","","0.0825","0.0863","","","","","","1.048","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242834","12.3957","0.0005","17.8774","0.0006","13.0708","0.0005","90","","115.915","0.001","90","","2605.26","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 F4 I2 N4 -","- C28 H16 F4 I2 N4 -","- C112 H64 F16 I8 N16 -","4","1","","Vulpe, Elena; Grosjean, Sylvain; Hassan, Zahid; Bulach, Véronique; Hosseini, Mir Wais; Bräse, Stefan","Halogen-bonded one-dimensional chains of functionalized ditopic bipyridines co-crystallized with mono-, di-, and triiodofluorobenzenes","CrystEngComm","2021","23","24","4247","4251","10.1039/D1CE00494H","","","0.71073","MoKα","","0.043","0.0335","","","0.0843","0.0908","","","","","","1.023","","","","has coordinates","267100","2021-07-05","17:04:19",""
"7242835","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","268690","2021-09-06","10:32:56",""
"7242836","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","268690","2021-09-06","10:32:57",""
"7242837","16.4415","0.0004","11.6143","0.0003","16.8425","0.0004","90","","118.923","0.001","90","","2815.03","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F2 N2 -","- C16 H16 F2 N2 -","- C128 H128 F16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0487","0.0384","","","0.0982","0.1055","","","","","","1.044","","","","has coordinates","267121","2021-07-05","17:10:25",""
"7242838","10.6079","0.0003","42.6839","0.0012","8.2782","0.0002","90","","128.984","0.001","90","","2913.6","0.14","173.15","","173.15","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H14 Cl2 N2 -","- C15 H14 Cl2 N2 -","- C120 H112 Cl16 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.035","0.0339","","","0.09","0.0907","","","","","","1.046","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242839","9.8974","0.0006","9.9742","0.0006","11.0128","0.0007","75.198","0.002","77.861","0.003","63.236","0.002","932.76","0.1","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 Cl2 N2 -","- C19 H22 Cl2 N2 -","- C38 H44 Cl4 N4 -","2","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","","0.71073","MoKα","","0.0353","0.033","","","0.0886","0.0904","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242840","16.0655","0.0018","8.3654","0.0009","20.616","0.002","90","","93.309","0.005","90","","2766.1","0.5","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Cl4 N2 -","- C13 H8 Cl4 N2 -","- C104 H64 Cl32 N16 -","8","2","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0271","0.023","","","0.0581","0.0611","","","","","","1.041","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242841","8.3329","0.0003","8.5627","0.0003","21.7172","0.0007","90","","90","","90","","1549.57","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N2 -","- C16 H16 Cl2 N2 -","- C64 H64 Cl8 N8 -","4","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0339","0.03","","","0.0716","0.0746","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242842","24.677","0.005","21.78","0.005","25.025","0.005","90","0.005","109.5","0.005","90","0.005","12679","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 O15 Zn4 -","- C42 H24 N2 O15 Zn4 -","- C168 H96 N8 O60 Zn16 -","4","1","","Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min","A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection","CrystEngComm","2021","23","21","3901","3906","10.1039/D1CE00331C","","","0.71069","MoKα","","0.1188","0.0578","","","0.1774","0.244","","","","","","0.718","","","","has coordinates","265990","2021-06-05","18:20:03",""
"7242843","11.296","0.004","8.333","0.003","16.662","0.004","90","","108.1","0.02","90","","1490.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 Br5 N3 O Sb -","- C5 H11 Br5 N3 O Sb -","- C20 H44 Br20 N12 O4 Sb4 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0623","0.0354","","","0.0577","0.067","","","","","","1.011","","","","has coordinates","265210","2021-05-14","04:22:05",""
"7242844","5.752","0.004","15.263","0.005","10.633","0.004","90","","104.77","0.02","90","","902.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Bi Br5 N4 S2 -","- C8 H10 Bi Br5 N4 S2 -","- C16 H20 Bi2 Br10 N8 S4 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0355","0.0266","","","0.0536","0.0566","","","","","","1.03","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242845","5.54","0.004","14.91","0.005","10.21","0.005","90","","104.08","0.02","90","","818","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl5 N4 S2 Sb -","- C8 H10 Cl5 N4 S2 Sb -","- C16 H20 Cl10 N8 S4 Sb2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.042","0.0293","","","0.0508","0.0565","","","","","","1.051","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242846","5.626","0.003","18.512","0.005","8.957","0.004","90","","91.09","0.02","90","","932.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Cl5 N6 O Sb -","- C10 H18 Cl5 N6 O Sb -","- C20 H36 Cl10 N12 O2 Sb2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0196","0.018","","","0.0438","0.0443","","","","","","1.124","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242847","9.775","0.004","9.808","0.004","11.435","0.005","76.78","0.02","65.46","0.02","82.72","0.02","970.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Bi2 Br10 N12 -","- C20 H32 Bi2 Br10 N12 -","- C20 H32 Bi2 Br10 N12 -","1","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0505","0.0515","","","","","","1.064","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242848","19.226","0.004","13.018","0.004","14.193","0.004","90","","100.74","0.02","90","","3490.1","1.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Bi2 Cl10 N12 O2 -","- C16 H28 Bi2 Cl10 N12 O2 -","- C64 H112 Bi8 Cl40 N48 O8 -","4","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0498","0.0301","","","0.0414","0.0463","","","","","","0.966","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242849","5.586","0.003","18.595","0.006","8.97","0.004","90","","90.66","0.02","90","","931.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Bi Cl5 N6 O -","- C10 H18 Bi Cl5 N6 O -","- C20 H36 Bi2 Cl10 N12 O2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0233","0.0226","","","0.0557","0.0561","","","","","","1.065","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242850","5.713","0.003","14.125","0.005","10.254","0.004","90","","105.65","0.02","90","","796.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Cl5 N6 Sb -","- C8 H12 Cl5 N6 Sb -","- C16 H24 Cl10 N12 Sb2 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0254","0.0236","","","0.0522","0.0531","","","","","","1.081","","","","has coordinates,has disorder","265210","2021-05-14","04:22:07",""
"7242851","5.5","0.004","15.082","0.005","10.36","0.004","90","","104.39","0.02","90","","832.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Bi Cl5 N4 S2 -","- C8 H10 Bi Cl5 N4 S2 -","- C16 H20 Bi2 Cl10 N8 S4 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0286","0.0189","","","0.0348","0.0373","","","","","","1.019","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242852","5.946","0.003","14.401","0.004","10.621","0.004","90","","105.31","0.02","90","","877.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Br5 N6 Sb -","- C8 H12 Br5 N6 Sb -","- C16 H24 Br10 N12 Sb2 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.025","0.0226","","","0.0487","0.0498","","","","","","1.099","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242853","7.8733","0.0003","11.4038","0.0005","11.618","0.0005","115.801","0.005","96.295","0.003","98.857","0.003","909.46","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Bi Br5 N6 -","- C8 H12 Bi Br5 N6 -","- C16 H24 Bi2 Br10 N12 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0648","0.0546","","","0.1377","0.1499","","","","","","1.043","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242854","5.9222","0.0017","13.176","0.004","26.122","0.008","90","","90","","90","","2038.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0737","0.0467","","","0.0863","0.0917","","","","","","1.036","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242855","7.8376","0.0016","10.864","0.002","24.59","0.005","90","","90","","90","","2093.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O5 S -","- C21 H20 Br N O5 S -","- C84 H80 Br4 N4 O20 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0603","0.0453","","","0.1011","0.1058","","","","","","1.027","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242856","6.4439","0.0003","7.6636","0.0004","20.6198","0.001","90","","95.354","0.004","90","","1013.83","0.09","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C42 H40 Br2 N2 O8 S2 -","2","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","x-ray","0.71073","MoKα","","0.0727","0.0683","","","0.1848","0.1911","","","","","","1.028","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242857","11.0865","0.0015","11.0865","0.0015","16.544","0.005","90","","90","","90","","2033.4","0.7","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C21 H20 Br N O4 S -","- C21 H20 Br N O4 S -","- C84 H80 Br4 N4 O16 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0715","0.0551","","","0.1202","0.1248","","","","","","1.024","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242858","8.1982","0.0003","11.5358","0.0005","12.9597","0.0006","103.868","0.004","103.308","0.004","107.779","0.004","1070.33","0.09","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F Fe N3 O6 -","- C24 H17 F Fe N3 O6 -","- C48 H34 F2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0686","0.0629","","","0.1706","0.1762","","","","","","1.101","","","","has coordinates","267114","2021-07-05","17:08:28",""
"7242859","12.1991","0.0002","9.3756","0.0002","19.0747","0.0004","90","","95.6028","0.0019","90","","2171.22","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Fe I N3 O6 -","- C24 H17 Fe I N3 O6 -","- C96 H68 Fe4 I4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0675","0.0598","","","0.1651","0.1704","","","","","","1.092","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242860","8.2215","0.0002","11.9651","0.0003","12.8982","0.0003","105.94","0.002","105.557","0.002","104.264","0.002","1102.95","0.05","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 Cl Fe N3 O6 -","- C24 H17 Cl Fe N3 O6 -","- C48 H34 Cl2 Fe2 N6 O12 -","2","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0813","0.0755","","","0.2066","0.2119","","","","","","1.045","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242861","12.2056","0.0001","9.3067","0.0001","18.8067","0.0002","90","","94.801","0.001","90","","2128.83","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Br Fe N3 O6 -","- C24 H17 Br Fe N3 O6 -","- C96 H68 Br4 Fe4 N12 O24 -","4","1","","Díaz-Torres, Raúl; Echeverría, Jorge; Loveday, Oliver; Harding, Phimphaka; Harding, David J.","Interplay of halogen and hydrogen bonding in a series of heteroleptic iron(iii) complexes","CrystEngComm","2021","23","22","4069","4076","10.1039/D1CE00480H","","x-ray","1.54184","CuKα","","0.0489","0.0457","","","0.1206","0.1237","","","","","","1.056","","","","has coordinates","267114","2021-07-05","17:08:29",""
"7242862","22.6762","0.0012","24.9574","0.0012","32.1099","0.0016","90","","90","","90","","18172.2","1.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C460 H292 Cl28 Co56 N160 O72 S48 -","4","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0644","0.0435","","","0.1087","0.119","","","","","","0.984","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242863","19.899","0.003","18.907","0.003","25.949","0.004","90","","90","","90","","9763","3","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C41 H36 Cl Co4 N11 O10 S4 -","- C41 H36 Cl Co4 N11 O10 S4 -","- C328 H288 Cl8 Co32 N88 O80 S32 -","8","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0574","0.0348","","","0.0666","0.0742","","","","","","1.035","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242864","25.8926","0.0009","25.8926","0.0009","18.9542","0.0007","90","","90","","120","","11004.9","0.7","150","2","150","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C216 H132 Cl8 Co28 N60 O50 S24 -","2","0.166667","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.067","0.0523","","","0.1342","0.1484","","","","","","1.056","","","","has coordinates,has disorder","267103","2021-07-05","17:05:47",""
"7242865","15.8696","0.0018","18.177","0.002","33.267","0.004","96.052","0.004","95.278","0.004","108.469","0.003","8970.9","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H88 Co14 N30 O31 S12 -","- C116 H81 Co14 N30 O31 S12 -","- C232 H162 Co28 N60 O62 S24 -","2","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.1029","0.0623","","","0.163","0.1824","","","","","","0.968","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242866","23.4643","0.0005","11.4906","0.0002","16.2903","0.0004","90","","122.775","0.001","90","","3692.95","0.14","105","","105","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Ca3 O24 -","- C32 H36 Ca3 O24 -","- C128 H144 Ca12 O96 -","4","0.5","","Pan, Yanxiong; Li, Hui; Lenertz, Mary; Han, Yulun; Ugrinov, Angel; Kilin, Dmitri; Chen, Bingcan; Yang, Zhongyu","One-pot synthesis of enzyme@metal‒organic material (MOM) biocomposites for enzyme biocatalysis","Green Chemistry","2021","23","12","4466","4476","10.1039/D1GC00775K","","","1.54178","CuKα","","0.0374","0.0345","","","0.0891","0.0909","","","","","","1.09","","","","has coordinates,has disorder","267206","2021-07-05","17:57:17",""
"7242867","20.8714","0.0008","5.6704","0.0002","17.1989","0.0006","90","","114.207","0.0018","90","","1856.49","0.12","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0418","0.0352","","","0.0974","0.1024","","","","","","1.057","","","","has coordinates","265239","2021-05-15","04:00:55",""
"7242868","26.7076","0.0007","8.7572","0.0002","18.7201","0.0004","90","","91.356","0.001","90","","4377.1","0.18","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl2 N3 O2 Pt S -","- C22 H19 Cl2 N3 O2 Pt S -","- C176 H152 Cl16 N24 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0719","0.0365","","","0.0689","0.0795","","","","","","1.003","","","","has coordinates,has disorder","265239","2021-05-15","04:00:56",""
"7242869","25.9376","0.001","9.6371","0.0003","17.6498","0.0006","90","","97.188","0.004","90","","4377.1","0.3","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl2 N3 O2 Pt S -","- C22 H19 Cl2 N3 O2 Pt S -","- C176 H152 Cl16 N24 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0501","0.0298","","","0.0629","0.0697","","","","","","1.025","","","","has coordinates,has disorder","265239","2021-05-15","04:00:56",""
"7242870","17.5316","0.0005","9.5135","0.0002","24.202","0.0009","90","","91.872","0.002","90","","4034.4","0.2","90","0.5","90","0.5","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 Cl2 N4 O2 Pt S -","- C17 H22 Cl2 N4 O2 Pt S -","- C136 H176 Cl16 N32 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0704","0.0397","","","0.0688","0.0767","","","","","","0.979","","","","has coordinates","265239","2021-05-15","04:00:56",""
"7242871","7.7002","0.0007","14.3978","0.0016","12.7602","0.0011","90","","90","","90","","1414.7","0.2","150","2","150","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C32 H40 N40 O32 -","8","0.5","","Wozniak, Dominique R.; Zeller, Matthias; Byrd, Edward F. C.; Piercey, Davin G.","3-Methyl-1,2,3-triazolium-1N-dinitromethylylide and the strategy of zwitterionic dinitromethyl groups in energetic materials design","RSC Advances","2021","11","29","17710","17714","10.1039/D1RA00953B","","","1.54178","CuKα","","0.0483","0.0461","","","0.1406","0.1427","","","","","","1.16","","","","has coordinates","265240","2021-05-15","04:01:31",""
"7242872","13.815","0.004","10.555","0.003","17.808","0.005","90","","111.233","0.008","90","","2420.4","1.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 N4 O S -","- C28 H31 N4 O S -","- C112 H124 N16 O4 S4 -","4","1","","Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul","Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00038A","","","0.71073","MoKα","","0.0768","0.057","","","0.142","0.1654","","","","","","1.1189","","","","has coordinates","265327","2021-05-19","02:51:08",""
"7242873","10.221","0.005","13.97","0.009","21.807","0.013","79.88","0.02","76.458","0.013","68.561","0.013","2804","3","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 N4 O2 S -","- C31 H37 N4 O2 S -","- C124 H148 N16 O8 S4 -","4","2","","Pal, Kavita; Raza, Md Kausar; Legac, Jenny; Ataur Rahman, Md.; Manzoor, Shoaib; Rosenthal, Philip J.; Hoda, Nasimul","Design, synthesis, crystal structure and anti-plasmodial evaluation of tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine derivatives","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00038A","","","0.71073","MoKα","","0.5005","0.1731","","","0.3161","0.4787","","","","","","1.011","","","","has coordinates","265327","2021-05-19","02:51:09",""
"7242874","9.4388","0.00002","3.71","0.000014","15.0549","0.00003","90","","104.552","0.003","90","","510.279","0.007","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.71073","MoKα","","0.0266","0.026","","0.0666","0.066","0.0666","","","","","","0.9909","","","","has coordinates","267123","2021-07-05","17:10:49",""
"7242875","9.28","0.01","3.3957","0.0003","14.64","0.003","90","","104.34","0.05","90","","447","0.5","293","","293","","","","2110000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.049","0.0396","","0.1103","0.1041","0.1103","","","","","","1.0345","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242876","9.191","0.012","3.3508","0.0004","14.562","0.003","90","","104.44","0.06","90","","434.3","0.6","293","","293","","","","2910000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.093","0.0707","","0.2935","0.2252","0.1772","","","","","","0.9887","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242877","9.327","0.01","3.462","0.0003","14.734","0.003","90","","104.37","0.05","90","","460.9","0.5","293","","293","","","","1300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0534","0.0423","","0.1951","0.1669","0.0938","","","","","","1.0109","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242878","9.348","0.013","3.5161","0.0004","14.834","0.003","90","","104.56","0.07","90","","471.9","0.7","293","","293","","","","940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0781","0.0702","","0.2023","0.1853","0.2023","","","","","","1.0951","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242879","9.409","0.011","3.6033","0.0003","14.945","0.003","90","","104.55","0.06","90","","490.4","0.6","293","","293","","","","330000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0811","0.0676","","0.6141","0.3208","0.1568","","","","","","0.9877","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242880","9.084","0.016","3.3013","0.0005","14.495","0.004","90","","104.62","0.08","90","","420.6","0.8","293","","293","","","","3940000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.078","0.0626","","0.2217","0.1978","0.1312","","","","","","0.8998","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242881","9.323","0.011","3.4191","0.0004","14.678","0.003","90","","104.31","0.06","90","","453.4","0.6","293","","293","","","","1760000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0458","0.0359","","0.1147","0.1103","0.0571","","","","","","1.0008","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242882","9.24","0.012","3.371","0.0004","14.596","0.003","90","","104.46","0.06","90","","440.2","0.6","293","","293","","","","2540000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0717","0.0488","","0.1445","0.1346","0.0944","","","","","","1.0084","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242883","9.07","0.02","3.268","0.0007","14.418","0.006","90","","104.63","0.11","90","","413.5","1","293","","293","","","","4560000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 N3 S3 -","- C2 N3 S3 -","- C8 N12 S12 -","4","1","","Richardson, Jonathan G.; Mizuno, Asato; Shuku, Yoshiaki; Awaga, Kunio; Robertson, Neil; Morrison, Carole A.; Warren, Mark R.; Allan, David R.; Moggach, Stephen A.","Evaluating the high-pressure structural response and crystal lattice interactions of the magnetically-bistable organic radical TTTA","CrystEngComm","2021","23","25","4444","4450","10.1039/D1CE00577D","","","0.4859","synchrotron","","0.0768","0.0593","","0.1853","0.1598","0.1725","","","","","","1.0051","","","","has coordinates","267123","2021-07-05","17:10:50",""
"7242884","14.4874","0.0009","14.58","0.0009","22.5228","0.0015","103.963","0.003","91.48","0.003","116.861","0.003","4068.4","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H67 N Ni2 O28 Ti4 -","- C82 H67 N Ni2 O28 Ti4 -","- C164 H134 N2 Ni4 O56 Ti8 -","2","1","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","","0.71073","MoKα","","0.0934","0.0557","","","0.1464","0.1753","","","","","","1.008","","","","has coordinates","267106","2021-07-05","17:06:36",""
"7242885","13.2237","0.0002","15.5692","0.0002","30.2206","0.0004","78.592","0.001","79.325","0.001","71.855","0.001","5744.39","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","- C226 H193 N7 Ni6 O78 Ti12 -","1","0.5","","Wang, Chao; Lu, Yong Jun; Rao, Ming Yang; Chen, Ning; Wang, Shou Juan; Kong, Fan Gong","Co-crystal of Ti4Ni2 and Ti8Ni4 clusters with enhanced photochemical properties","CrystEngComm","2021","23","24","4402","4407","10.1039/D1CE00369K","","x-ray","1.54184","CuKα","","0.0527","0.0485","","","0.1356","0.1401","","","","","","1.066","","","","has coordinates,has disorder","267106","2021-07-05","17:06:37",""
"7242886","10.0606","0.0015","20.736","0.003","22.81","0.003","90","","90","","90","","4758.5","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H52 N2 O4 -","- C63 H52 N2 O4 -","- C252 H208 N8 O16 -","4","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0797","0.0419","","","0.0754","0.0858","","","","","","0.794","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242887","9.4244","0.0013","5.0509","0.0007","13.2982","0.0018","90","","100.928","0.002","90","","621.54","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0527","0.0518","","","0.1366","0.1376","","","","","","1.037","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242888","10.6751","0.0015","12.6375","0.0017","23.647","0.003","90","","90","","90","","3190.1","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N2 O2 -","- C40 H44 N2 O2 -","- C160 H176 N8 O8 -","4","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0523","0.0416","","","0.0901","0.0936","","","","","","0.95","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242889","7.8533","0.001","11.2055","0.0014","14.9614","0.0018","109.965","0.002","95.868","0.002","95.134","0.002","1220.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Br2 N4 S2 -","- C27 H18 Br2 N4 S2 -","- C54 H36 Br4 N8 S4 -","2","1","","Wang, Kai-Kai; Li, Yan-Li; Guo, Dong-Guang; Pan, Peng-Tao; Sun, Aili; Chen, Rongxiang","Synthesis of spiro[4.4]thiadiazole derivatives via double 1,3-dipolar cycloaddition of hydrazonyl chlorides with carbon disulfide","RSC Advances","2021","11","30","18404","18407","10.1039/D1RA03229A","","","0.71073","MoKα","","0.0518","0.0333","","","0.0863","0.0924","","","","","","0.947","","","","has coordinates","265451","2021-05-22","04:19:21",""
"7242890","5.9524","0.0006","10.0773","0.0009","17.1337","0.0014","90","","90","","90","","1027.75","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1707","0.0714","","","0.1529","0.2228","","","","","","0.839","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242891","7.517","0.0005","12.5737","0.001","15.5867","0.001","89.941","0.006","77.478","0.005","75.976","0.006","1393.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N3 O2 -","- C13 H16 Cl N3 O2 -","- C52 H64 Cl4 N12 O8 -","4","2","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.165","0.0617","","","0.0943","0.1278","","","","","","0.975","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242892","8.7727","0.0004","10.1439","0.0005","16.8688","0.0009","100.796","0.004","93.143","0.004","112.422","0.004","1349.85","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl4 N6 O Zn -","- C26 H26 Cl4 N6 O Zn -","- C52 H52 Cl8 N12 O2 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1049","0.0636","","","0.0884","0.1033","","","","","","1.072","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242893","12.1724","0.0001","9.6326","0.0003","6.7045","0.0001","104.858","0.0003","104.436","0.0001","85.7581","0.0001","735.8","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl3 N3 Zn -","- C13 H12 Cl3 N3 Zn -","- C26 H24 Cl6 N6 Zn2 -","2","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.0089","1.29098","","","","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242894","7.144","0.008","12.849","0.017","15.65","0.02","75.61","0.03","83.28","0.03","83.22","0.03","1376","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H33 Co N5 O10 S -","- C23 H33 Co N5 O10 S -","- C46 H66 Co2 N10 O20 S2 -","2","1","","Yan, Min; Zhu, Peizhi; Yang, Shengyang; Kong, Wei-Jian; Wang, Jian; Zhang, Kou-Lin","A newly-constructed hydrolytically stable Co(ii) coordination polymer showing dual responsive fluorescence sensing of pH and Cu2+","CrystEngComm","2021","23","24","4370","4381","10.1039/D1CE00404B","","","0.71073","MoKα","","0.1043","0.0528","","","0.0979","0.1131","","","","","","1.011","","","","has coordinates","267104","2021-07-05","17:05:54",""
"7242895","6.8212","0.0003","13.3401","0.0005","18.5886","0.0007","80.8654","0.0017","89.4342","0.0017","81.6705","0.0016","1652.26","0.11","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C80 H64 O24 -","8","4","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0663","0.0574","","","0.1321","0.1396","","","","","","1.191","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242896","6.8504","0.0008","10.7265","0.0013","12.3293","0.0015","107.962","0.004","95.521","0.004","95.436","0.004","850.38","0.18","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","7-methoxycoumarin","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.1105","0.0708","","","0.1792","0.2183","","","","","","1.115","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242897","6.8137","0.0003","10.6684","0.0005","12.4313","0.0006","108.189","0.0015","95.2297","0.0015","95.2045","0.0015","848.11","0.07","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0868","0.0627","","","0.1386","0.1625","","","","","","1.114","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242898","14.6312","0.0007","12.0469","0.0006","18.6651","0.001","90","","90","","90","","3289.9","0.3","143","2","143","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C160 H128 O48 -","8","1","","Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo","Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin","CrystEngComm","2021","23","34","5780","5787","10.1039/D1CE00444A","","","0.71073","MoKa","","0.0535","0.0511","","","0.1336","0.1368","","","","","","1.305","","","","has coordinates","268677","2021-09-06","10:30:17",""
"7242899","10.3129","0.0004","16.4452","0.0006","14.8941","0.0005","90","","103.446","0.002","90","","2456.77","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Na3.8 O45 Ru2 W8 -","- C12 H12 Na3.8 O45 Ru2 W8 -","- C24 H24 Na7.6 O90 Ru4 W16 -","2","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.1002","0.0513","","","0.112","0.1285","","","","","","0.948","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242900","25.8211","0.0011","16.9966","0.0007","17.3342","0.0007","90","","127.743","0.001","90","","6015.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na6 O52 Ru2 W8 -","- C12 H12 Na6 O52 Ru2 W8 -","- C48 H48 Na24 O208 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0404","0.0322","","","0.0784","0.0812","","","","","","1.032","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242901","20.5086","0.0008","17.1615","0.0007","17.3902","0.0008","90","","93.08","0.004","90","","6111.8","0.4","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H54 Na4 O48.95 Ru2 W8 -","- C12 H12 Na4 O48.95 Ru2 W8 -","- C48 H48 Na16 O195.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0499","0.0372","","","0.091","0.0966","","","","","","1.061","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242902","24.1881","0.0007","18.2571","0.0006","16.5476","0.0006","90","","125.354","0.001","90","","5959.9","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C12 H12 Na0.5 O38.7 Ru2 W8 -","- C48 H48 Na2 O154.8 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0926","0.0532","","","0.1379","0.1518","","","","","","1.045","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242903","25.5718","0.0004","17.0393","0.0003","17.3183","0.0003","90","","127.656","0.001","90","","5974.14","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C12 H12 Na4.2 O54.4 Ru2 W8 -","- C48 H48 Na16.8 O217.6 Ru8 W32 -","4","0.5","","Mukhacheva, Anna A.; Komarov, Vladislav Yu.; Kokovkin, Vasily V.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.","Unusual π‒π interactions directed by the [{(C6H6)Ru}2W8O30(OH)2]6− hybrid anion","CrystEngComm","2021","23","23","4125","4135","10.1039/D1CE00319D","","x-ray","0.71073","MoKα","","0.0578","0.0396","","","0.082","0.089","","","","","","1.07","","","","has coordinates","267129","2021-07-05","17:12:24",""
"7242904","41.592","0.007","16.437","0.003","14.21","0.003","90","","90.489","0.011","90","","9714","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 N4 O13 Zn2 -","- C50 H36 N4 O13 Zn2 -","- C400 H288 N32 O104 Zn16 -","8","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0749","0.043","","","0.1262","0.1431","","","","","","1.004","","","","has coordinates,has disorder","267122","2021-07-05","17:10:40",""
"7242905","14.2507","0.0004","19.6734","0.0007","16.6986","0.0005","90","","98.1584","0.0018","90","","4634.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cd2 N4 O12 -","- C52 H40 Cd2 N4 O12 -","- C208 H160 Cd8 N16 O48 -","4","1","","Yang, Xiang-Kai; Lee, Wei-Te; Hu, Ji-Hong; Chen, Jhy-Der","Zn(ii) and Cd(ii) coordination polymers with a new angular bis-pyridyl-bis-amide: synthesis, structures and sensing properties","CrystEngComm","2021","23","25","4486","4493","10.1039/D1CE00409C","","","0.71073","MoKα","","0.0565","0.0396","","","0.0985","0.1067","","","","","","1.037","","","","has coordinates","267122","2021-07-05","17:10:40",""
"7242906","6.1285","0.0005","32.973","0.003","7.7602","0.0006","90","","108.863","0.003","90","","1483.9","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ochracine F","","- C30 H50 O11 -","- C30 H50 O11 -","- C60 H100 O22 -","2","1","","Zhao, Zhen-Zhu; Zhao, Qi-Lu; Feng, Wei-Sheng; He, Hai-Rong; Li, Meng; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Structure and absolute configuration assignments of ochracines F‒L, chamigrane and cadinane sesquiterpenes from the basidiomycete Steccherinum ochraceum HFG119","RSC Advances","2021","11","31","18693","18701","10.1039/D1RA03320D","","","1.54178","CuKα","","0.0615","0.0579","","","0.1595","0.1664","","","","","","1.049","","","","has coordinates","265479","2021-05-25","04:05:47",""
"7242907","13.0012","0.0007","20.168","0.0008","38.2835","0.0016","90","","93.6201","0.0018","90","","10018.2","0.8","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C27 H39 Cl2 K10 N13.5 O64 V24 -","- C108 H156 Cl8 K40 N54 O256 V96 -","4","1","","Greiner, Simon; Anjass, Montaha; Streb, Carsten","Supramolecular assembly of a hierarchically structured 3D potassium vanadate framework","CrystEngComm","2021","23","22","3946","3950","10.1039/D1CE00661D","","","0.71073","MoKα","","0.1005","0.0792","","","0.1389","0.1469","","","","","","1.156","","","","has coordinates","267111","2021-07-05","17:08:02",""
"7242908","17.676","0.0004","17.676","0.0004","13.136","0.0004","90","","90","","120","","3554.36","0.16","156","2","156","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H35 N O5 -","- C25 H35 N O5 -","- C150 H210 N6 O30 -","6","1","","Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao","3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae","RSC Advances","2021","11","31","18827","18831","10.1039/D1RA02120F","","","1.54178","CuKα","","0.0299","0.0285","","","0.0676","0.0688","","","","","","1.077","","","","has coordinates","265495","2021-05-26","04:21:46",""
"7242909","6.8544","0.0003","43.892","0.0019","6.7683","0.0003","90","","90","","90","","2036.27","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","","Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao","3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae","RSC Advances","2021","11","31","18827","18831","10.1039/D1RA02120F","","","1.54178","CuKα","","0.0596","0.0581","","","0.1584","0.1593","","","","","","1.11","","","","has coordinates","265495","2021-05-26","04:21:46",""
"7242910","11.5549","0.0009","14.9462","0.0011","12.0964","0.0009","90","","90","","90","","2089.1","0.3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H23 Br2 Cd N5 O -","- C17 H23 Br2 Cd N5 O -","- C68 H92 Br8 Cd4 N20 O4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.71073","MoKα","","0.045","0.0305","","","0.0717","0.0933","","","","","","1.065","","","","has coordinates","265496","2021-05-26","04:23:17",""
"7242911","8.983","0.0018","13.25","0.003","21.86","0.004","107.51","0.03","99.64","0.03","93.76","0.03","2427.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Br2 Cd N5 -","- C21 H29 Br2 Cd N5 -","- C84 H116 Br8 Cd4 N20 -","4","2","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0799","0.0554","","","0.138","0.1479","","","","","","0.872","","","","has coordinates","265496","2021-05-26","04:23:17",""
"7242912","12.837","0.003","12.585","0.003","14.222","0.003","90","","92.04","0.03","90","","2296.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl2 N5 Zn -","- C21 H29 Cl2 N5 Zn -","- C84 H116 Cl8 N20 Zn4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.61","synchrotron","","0.042","0.0386","","","0.1085","0.1105","","","","","","1.142","","","","has coordinates","265496","2021-05-26","04:23:22",""
"7242913","12.775","0.003","12.623","0.003","14.263","0.003","90","","92","0.03","90","","2298.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl2 Co N5 -","- C21 H29 Cl2 Co N5 -","- C84 H116 Cl8 Co4 N20 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.63","synchrotron","","0.0686","0.0502","","","0.131","0.1393","","","","","","1.122","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7242914","13.536","0.003","10.185","0.002","14.325","0.003","90","","95.38","0.03","90","","1966.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Cl2 Co N5 O -","- C17 H23 Cl2 Co N5 O -","- C68 H92 Cl8 Co4 N20 O4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0694","0.0652","","","0.1951","0.1999","","","","","","1.151","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7242915","14.177","0.003","11.34","0.002","12.075","0.002","90","","90","","90","","1941.3","0.6","98","2","98","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H23 Cl2 N5 O Zn -","- C17 H23 Cl2 N5 O Zn -","- C68 H92 Cl8 N20 O4 Zn4 -","4","0.5","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0534","0.0526","","","0.1597","0.1601","","","","","","1.198","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7242916","17.6427","0.0009","11.2395","0.0006","14.1794","0.0007","90","","95.121","0.001","90","","2800.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 S2 Si2 -","- C28 H38 S2 Si2 -","- C112 H152 S8 Si8 -","4","1","","Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke","Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives","RSC Advances","2021","11","31","18870","18880","10.1039/D1RA01189H","","","0.71073","MoKa","","0.0343","0.0292","","","0.0711","0.0743","","","","","","0.955","","","","has coordinates","265497","2021-05-26","04:24:29",""
"7242917","7.5572","0.0009","13.6372","0.0016","22.295","0.003","72.523","0.001","89.93","0.001","81.09","0.001","2162.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 S2 Si4 -","- C40 H66 S2 Si4 -","- C80 H132 S4 Si8 -","2","1","","Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke","Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives","RSC Advances","2021","11","31","18870","18880","10.1039/D1RA01189H","","","0.71073","MoKa","","0.0681","0.0449","","","0.0991","0.1092","","","","","","1.011","","","","has coordinates","265497","2021-05-26","04:24:29",""
"7242918","23.6033","0.0008","23.6033","0.0008","23.6033","0.0008","90","","90","","90","","13149.8","0.8","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C60 H36 Co4 F3 N15 O10 S -","- C60 H36 Co4 F3 N15 O10 S -","- C240 H144 Co16 F12 N60 O40 S4 -","4","0.333333","","Liu, Teng; Shen, Xianfu; Shen, Xiang; He, Chixian; Liu, Jiaming; Liu, Jian-Jun","A highly stable metal‒organic framework with cubane-like clusters for the selective oxidation of aryl alkenes to aldehydes or ketones","CrystEngComm","2021","23","26","4667","4673","10.1039/D1CE00545F","","","0.71073","MoKα","","0.0611","0.0394","","","0.0842","0.0908","","","","","","1.002","","","","has coordinates","268658","2021-09-06","10:26:12",""
"7242919","17.196","0.003","14.198","0.003","13.203","0.003","90","","90.97","0.03","90","","3223","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Dy Fe N14 O9 -","- C24 H23 B Dy Fe N14 O9 -","- C96 H92 B4 Dy4 Fe4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0571","0.0494","","","0.1332","0.138","","","","","","1.067","","","","has coordinates,has disorder","268662","2021-09-06","10:26:42",""
"7242920","17.194","0.003","14.188","0.003","13.177","0.003","90","","90.93","0.03","90","","3214.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Ho N14 O9 -","- C24 H23 B Fe Ho N14 O9 -","- C96 H92 B4 Fe4 Ho4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","Mokα","","0.0484","0.0402","","","0.1016","0.1059","","","","","","1.05","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242921","17.221","0.003","14.199","0.003","13.197","0.003","90","","90.93","0.03","90","","3226.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe N14 O9 Tb -","- C24 H23 B Fe N14 O9 Tb -","- C96 H92 B4 Fe4 N56 O36 Tb4 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0611","0.0526","","","0.1475","0.1543","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242922","17.244","0.003","14.193","0.003","13.216","0.003","90","","90.93","0.03","90","","3234.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 B Fe Gd N14 O9 -","- C24 H23 B Fe Gd N14 O9 -","- C96 H92 B4 Fe4 Gd4 N56 O36 -","4","1","","Visinescu, Diana; Alexandru, Maria-Gabriela; Dumitrescu, Dan G.; Shova, Sergiu; Moliner, Nicolás; Lloret, Francesc; Julve, Miguel","Cyanido-bridged {FeIIILnIII} heterobimetallic chains assembled through the [FeIII{HB(pz)3}(CN)3]− complex as metalloligand: synthesis, crystal structure and magnetic properties","CrystEngComm","2021","23","26","4615","4626","10.1039/D1CE00626F","","","0.71073","MoKα","","0.0672","0.0617","","","0.1673","0.171","","","","","","1.038","","","","has coordinates,has disorder","268662","2021-09-06","10:26:43",""
"7242923","8.1311","0.0004","11.9456","0.0007","12.1","0.0012","103.82","0.007","109.146","0.006","93.699","0.004","1064.98","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 F2 N4 O4 S8 -","- C32 H45.9988 F2 N4 O4 S8 -","- C32 H45.9988 F2 N4 O4 S8 -","1","0.5","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","x-ray","0.71073","MoKα","","0.0815","0.0477","","","0.1315","0.1572","","","","","","0.877","","","","has coordinates,has disorder","265534","2021-05-27","04:33:15",""
"7242924","6.9541","0.0007","7.3664","0.0005","9.1492","0.001","107.194","0.008","99.036","0.009","102.848","0.008","423.86","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 F N2 -","- C10 H5 F N2 -","- C20 H10 F2 N4 -","2","1","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","","0.71073","MoKα","","0.0605","0.046","","","0.119","0.1335","","","","","","1.049","","","","has coordinates","265534","2021-05-27","04:33:15",""
"7242925","18.6","0.002","9.7722","0.001","28.091","0.006","90","","90","","90","","5105.9","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H58 Cl2 N4 O6 S10 -","- C36 H57.9988 Cl2 N4 O6 S9.9998 -","- C144 H231.995 Cl8 N16 O24 S39.9992 -","4","0.5","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","x-ray","0.71073","MoKα","","0.2347","0.0998","","","0.2187","0.2941","","","","","","0.901","","","","has coordinates,has disorder","265534","2021-05-27","04:33:16",""
"7242926","6.6598","0.0004","10.7886","0.0006","19.2106","0.0008","96.432","0.002","98.294","0.002","107.416","0.002","1285.5","0.12","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cd Cl N6 O11 -","- C26 H16 Cd Cl N6 O11 -","- C52 H32 Cd2 Cl2 N12 O22 -","2","1","","Zhang, Guoshuai; Fu, Chen; Zhang, Heyi; Zhang, Hong","A multifunctional colorimetric sensor originating from a cadmium naphthalene diimide-based metal‒organic framework: photochromism, hydrochromism, and vapochromism","CrystEngComm","2021","23","25","4513","4521","10.1039/D1CE00352F","","","0.71073","MoKα","","0.0329","0.0268","","","0.0664","0.0693","","","","","","1.084","","","","has coordinates","267126","2021-07-05","17:11:18",""
"7242927","8.6981","0.0005","12.6447","0.0006","12.8788","0.0007","81.679","0.004","77.685","0.004","78.768","0.004","1349.48","0.13","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","2-Cyano-3-((8-(dimethylamino)-4,5-diphenylnaphthalen-1-yl)-","","- C35 H29 N3 -","- C35 H29 N3 -","- C70 H58 N6 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0798","0.0522","","","0.1104","0.1233","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242928","10.7625","0.0005","32.3176","0.001","8.613","0.0003","90","","98.945","0.004","90","","2959.3","0.2","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclopentan-1,3-acenaphth[5,6-bc]azepine]-2,5-dione","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1484","0.104","","","0.1877","0.2072","","","","","","1.15","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242929","8.4109","0.0002","9.6735","0.0003","17.0655","0.0005","90","","90.496","0.002","90","","1388.45","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,5-diiodo-9,9-dimethyl-9H-fluorene","","- C15 H12 I2 -","- C15 H12 I2 -","- C60 H48 I8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0366","0.0289","","","0.0613","0.0646","","","","","","1.05","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242930","10.4257","0.0003","8.8243","0.0003","18.7805","0.0007","90","","101.546","0.003","90","","1692.83","0.1","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[1,3-dioxane-5,3-acenaphth[5,6-bc]azepine]-4,6-dione","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0764","0.0552","","","0.1024","0.1132","","","","","","1.094","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242931","8.7457","0.0005","9.3638","0.0007","11.2739","0.0007","108.887","0.006","91.171","0.005","113.671","0.006","787.91","0.11","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","methyl (E)-2-cyano-3-(6-(dimethylamino)-1,2-dihydroacenaphthylen-5-yl)propenoate,","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0683","0.0506","","","0.1229","0.136","","","","","","1.058","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242932","10.9539","0.0003","9.5493","0.0003","19.3902","0.0006","90","","104.652","0.003","90","","1962.3","0.11","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,2,8,8-Pentamethyl-1,2,3,4-tetrahydro-8H-spiro[1,3-dioxane-5,3-fluoreno[4,5-bcd]azocine]-4,6-dione","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C96 H100 N4 O16 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0681","0.051","","","0.103","0.1109","","","","","","1.057","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242933","15.2738","0.0006","10.3218","0.0004","10.2175","0.0003","90","","93.356","0.003","90","","1608.06","0.1","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2,3,4-Tetrahydro-1,2,2-trimethyl-spiro[cyclohexan-1,3-acenaphth[5,6-bc]azepine]-2,6-dione","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0695","0.0514","","","0.1004","0.1111","","","","","","1.084","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242934","9.1836","0.0006","9.4806","0.0005","13.2584","0.0008","90","","99.767","0.007","90","","1137.62","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Dimethylamino-1,2-dihydroacenaphthylene-5-carbaldehyde","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0607","0.0487","","","0.1057","0.1119","","","","","","1.067","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242935","9.7431","0.0003","6.9459","0.0002","12.1403","0.0004","90","","105.257","0.004","90","","792.63","0.05","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Nitro-1,2,3,4-tetrahydro-1,8,8-trimethyl-8H-fluoreno[4,5-bcd]azocine","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.052","0.0462","","","0.0935","0.0961","","","","","","1.077","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242936","24.7956","0.0001","24.7956","0.0001","9.4744","0.0001","90","","90","","90","","5825.07","0.07","149.99","0.1","149.99","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","4-(dimethylamino)-9,9-dimethyl-9H-fluorene-5-carbaldehyde","","- C18 H19 N O -","- C18 H19 N O -","- C288 H304 N16 O16 -","16","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0322","0.0314","","","0.0797","0.0803","","","","","","1.072","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242937","18.4256","0.0004","11.2921","0.0003","16.4939","0.0004","90","","99.223","0.002","90","","3387.42","0.14","150","0.1","150","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","2-cyano-2-((4-(dimethylamino)-9,9-dimethyl-9H-fluoren-5-yl) propenenitrile","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0605","0.0478","","","0.1108","0.1188","","","","","","1.042","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242938","10.6932","0.0003","8.4601","0.0003","25.0272","0.0008","90","","101.328","0.003","90","","2219.99","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Cyano-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-methoxycarbonyl-methanide","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0459","0.0399","","","0.1027","0.1067","","","","","","1.026","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242939","22.0584","0.0007","9.7183","0.0002","16.5596","0.0004","90","","99.142","0.003","90","","3504.79","0.16","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-Dimethylamino-4,5-diphenylnaphthalene","","- C24 H21 N -","- C24 H21 N -","- C192 H168 N8 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","","0.71073","MoKα","","0.0746","0.0476","","","0.1015","0.1137","","","","","","1.03","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242940","9.8042","0.0002","15.4073","0.0004","52.7317","0.0011","90","","90","","90","","7965.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,N-Bis(4,5-diphenyl-8-dimethylaminonaphth-1-methylidene)-1,2-ethanediamine,","","- C52 H46 N4 -","- C52 H46 N4 -","- C416 H368 N32 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","1.54184","CuKα","","0.0752","0.0524","","","0.1278","0.1423","","","","","","1.024","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242941","19.4622","0.0012","9.934","0.0008","29.6756","0.0015","90","","93.325","0.005","90","","5727.7","0.6","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","1-(1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium-2-yl)-2,6-dioxocyclohexan-1-ide","","- C32 H28 Cl3 N O2 -","- C32 H28 Cl3 N O2 -","- C256 H224 Cl24 N8 O16 -","8","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1795","0.0805","","","0.1354","0.1734","","","","","","1.018","","","","has coordinates,has disorder","267127","2021-07-05","17:11:49",""
"7242942","12.6676","0.0005","9.9541","0.0003","15.1783","0.0006","90","","108.164","0.004","90","","1818.53","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dimethylamino-4,5-diphenylnaphthalene-8-carbaldehyde","","- C25 H21 N O -","- C25 H21 N O -","- C100 H84 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0799","0.0721","","","0.1891","0.1953","","","","","","1.082","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242943","6.0395","0.0003","13.8019","0.0008","14.6137","0.0009","67.4","0.005","86.108","0.004","81.742","0.004","1112.84","0.12","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium monomalonate,","","- C28 H25 N O5 -","- C28 H25 N O5 -","- C56 H50 N2 O10 -","2","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.1127","0.0644","","","0.1326","0.1563","","","","","","1.038","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242944","6.1138","0.0003","11.1707","0.0005","33.835","0.0017","90","","90","","90","","2310.78","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C26 H24 Cl3 N O -","- C26 H24 Cl3 N O -","- C104 H96 Cl12 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0918","0.0594","","","0.1074","0.1217","","","","","","1.023","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242945","31.1491","0.0011","7.2268","0.0004","13.9772","0.0007","90","","92.13","0.004","90","","3144.2","0.3","150.01","0.11","150.01","0.11","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H8 F6 N2 O3 -","- C17 H8 F6 N2 O3 -","- C136 H64 F48 N16 O24 -","8","1","","Brahmachari, Goutam; Karmakar, Indrajit; Karmakar, Pintu","Catalyst- and solvent-free Csp2‒H functionalization of 4-hydroxycoumarins via C-3 dehydrogenative aza-coupling under ball-milling","Green Chemistry","2021","23","13","4762","4770","10.1039/D1GC01341F","","","0.71073","MoKα","","0.1339","0.1088","","","0.2891","0.3394","","","","","","1.174","","","","has coordinates,has disorder","268821","2021-09-06","11:47:19",""
"7242946","15.3849","0.0012","5.8934","0.0004","22.187","0.002","90","","110.051","0.004","90","","1889.7","0.3","299.59","","299.59","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 F3 N3 -","- C22 H18 F3 N3 -","- C88 H72 F12 N12 -","4","2","","Laurent, Mazarine; Bostyn, Stéphane; Marchivie, Mathieu; Robin, Yves; Routier, Sylvain; Buron, Frédéric","Aminations and arylations by direct C‒O activation for the design of 7,8-dihydro-6H-5,8-ethanopyrido[3,2-d]pyrimidines","RSC Advances","2021","11","32","19363","19377","10.1039/D1RA03092B","","","0.71073","MoKα","","0.082","0.0543","","","0.1351","0.1503","","","","","","1.043","","","","has coordinates,has disorder","265607","2021-05-29","04:23:52",""
"7242947","12.3091","0.0008","14.2045","0.0009","16.5877","0.0011","90","","101.973","0.001","90","","2837.2","0.3","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N4 -","- C30 H22 N4 -","- C120 H88 N16 -","4","1","","Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin","Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols","RSC Advances","2021","11","32","19639","19646","10.1039/D1RA03022A","","","0.71073","MoKα","","0.0662","0.0479","","","0.1336","0.1444","","","","","","1.108","","","","has coordinates","265663","2021-06-02","04:28:30",""
"7242948","14.5637","0.0013","10.7601","0.001","16.2434","0.0015","90","","98.077","0.001","90","","2520.2","0.4","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C120 H88 N8 -","4","1","","Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin","Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols","RSC Advances","2021","11","32","19639","19646","10.1039/D1RA03022A","","","0.71073","MoKα","","0.0779","0.0459","","","0.1138","0.1252","","","","","","1.004","","","","has coordinates","265663","2021-06-02","04:28:31",""
"7242949","10.269","0.005","16.787","0.008","20.919","0.008","90","","90","","90","","3606","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cu2 N10 O5 Zn -","- C34 H42 Cu2 N10 O5 Zn -","- C136 H168 Cu8 N40 O20 Zn4 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0533","0.0486","","","0.1272","0.1302","","","","","","1.121","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242950","19.337","0.008","20.605","0.008","21.248","0.009","90","","115.62","0.005","90","","7634","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H88 Cu4 N20 O8 Zn2 -","- C72 H88 Cu4 N20 O8 Zn2 -","- C288 H352 Cu16 N80 O32 Zn8 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0991","0.057","","","0.1469","0.182","","","","","","1.049","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242951","13.0155","0.0007","13.2744","0.0007","4.9013","0.0002","90","","90","","90","","846.81","0.07","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C13 H16 Cl2 N2 O8 -","- C13 H16 Cl2 N2 O8 -","- C26 H32 Cl4 N4 O16 -","2","0.5","","Han, Ding-Chong; Li, Yu-Kong; Liu, Yao; Tan, Yu-Hui; Tang, Yun-Zhi; Wei, Wen-Juan; Du, Peng-Kang; Zhang, Hao","Para‒ferroelectric phase transition induces an excellent second harmonic generation response and a prominent switchable dielectric constant change based on a metal-free ionic crystal","CrystEngComm","2021","23","31","5306","5313","10.1039/D1CE00680K","","","0.71073","MoKα","","0.0766","0.0657","","","0.197","0.212","","","","","","1.182","","","","has coordinates","268672","2021-09-06","10:29:18",""
"7242952","14.3621","0.0011","24.1237","0.0015","27.1906","0.0018","90","","98.023","0.007","90","","9328.4","1.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 N36 O20 -","- C86 H86 N36 O20 -","- C172 H172 N72 O40 -","2","0.5","","Higginbotham, Heather; Maniam, Subashani; Hsia, Tina; Isaacs, Lyle D.; Langford, Steven J.; Bell, Toby D. M.","Self-assembled, optically-active {naphthalene diimide}U{cucurbit[8]uril} ensembles in an aqueous environment","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP00659B","","","0.71073","MoKα","","0.1844","0.133","","","0.3416","0.3728","","","","","","0.985","","","","has coordinates","265702","2021-06-03","04:14:29",""
"7242953","8.9676","0.0005","8.9772","0.0004","11.5304","0.0006","76.582","0.002","77.282","0.002","85.623","0.002","880.44","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid","","- C22 H19 O4 -","- C22 H19 O4 -","- C44 H38 O8 -","2","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0483","0.038","","","0.0939","0.1005","","","","","","1.042","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242954","21.1712","0.0015","15.3453","0.0008","11.4218","0.0008","90","","90","","90","","3710.7","0.4","200","2","200","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","dimethyl-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate 1,4-xylene","","- C22.67 H21.33 O4 -","- C22.6664 H21.333 O4 -","- C181.331 H170.664 O32 -","8","1","","Barton, Benita; Senekal, Ulrich; Hosten, Eric C.","Comparing the host behaviour of roof-shaped compounds trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylic acid and its dimethyl ester in the presence of mixtures of xylene and ethylbenzene guests","CrystEngComm","2021","23","25","4560","4572","10.1039/D1CE00594D","","","0.71073","MoKα","","0.0714","0.053","","","0.1441","0.1601","","","","","","1.022","","","","has coordinates,has disorder","267124","2021-07-05","17:10:57",""
"7242955","14.155","0.002","10.243","0.016","14.822","0.002","90","","114.922","0.015","90","","1949","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 Cu2 F6 N2 O6 -","- C45 H27 Cu2 F6 N2 O6 -","- C90 H54 Cu4 F12 N4 O12 -","2","0.5","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.158","0.0891","","","0.2046","0.2562","","","","","","1.033","","","","has coordinates","267101","2021-07-05","17:04:27",""
"7242956","8.3115","0.0012","12.3766","0.0018","14.844","0.002","68.362","0.005","86.264","0.006","81.552","0.006","1403.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu F6 O5 S -","- C30 H22 Cu F6 O5 S -","- C60 H44 Cu2 F12 O10 S2 -","2","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71075","MoKα","","0.0928","0.0618","","","0.1359","0.1504","","","","","","1.004","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242957","11.688","0.002","15.619","0.003","12.799","0.003","90","","107.847","0.008","90","","2224.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 Cu F3 N O5 -","- C25 H18 Cu F3 N O5 -","- C100 H72 Cu4 F12 N4 O20 -","4","1","","Mahesha,; Pampa, K. J.; Karthik, C. S.; Hema, M. K.; Mallu, P.; Lokanath, N. K.","Post-synthetic modification of supramolecular assemblies of β-diketonato Cu(ii) complexes: comparing and contrasting the molecular topology by crystal structure and quantum computational studies","CrystEngComm","2021","23","24","4344","4369","10.1039/D1CE00304F","","","0.71073","MoKα","","0.0614","0.0464","","","0.1135","0.1233","","","","","","1.045","","","","has coordinates","267101","2021-07-05","17:04:28",""
"7242958","13.1512","0.0005","13.1512","0.0005","4.3773","0.0003","90","","90","","90","","757.07","0.07","293","2","293","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag N5 O3 S2 -","- C10 H16 Ag N5 O3 S2 -","- C20 H32 Ag2 N10 O6 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0373","0.0284","","","0.0532","0.058","","","","","","1.044","","","","has coordinates,has disorder","268643","2021-09-06","10:23:04",""
"7242959","13.1198","0.0003","13.1198","0.0003","4.686","0.0002","90","","90","","90","","806.6","0.04","293","2","293","2","","","","","","","","7","P -4 21 m","P -4 2ab","113","","","","- C10 H16 Ag Cl N4 O4 S2 -","- C10 H16 Ag Cl N4 O4 S2 -","- C20 H32 Ag2 Cl2 N8 O8 S4 -","2","0.25","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0295","0.026","","","0.0639","0.0666","","","","","","1.038","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242960","12.6128","0.0003","13.1579","0.0003","16.1737","0.0003","90","","90","","90","","2684.15","0.1","293","2","293","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C18 H24 Ag1.5 Cl1.5 N12 O6 -","- C72 H96 Ag6 Cl6 N48 O24 -","4","0.5","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","1.54184","CuKα","","0.0369","0.0303","","","0.0864","0.0951","","","","","","1.052","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242961","6.6706","0.0004","10.5894","0.0009","13.5484","0.0011","91.104","0.007","99.965","0.005","103.416","0.006","915.1","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Ag N9 O4 -","- C12 H18 Ag N9 O4 -","- C24 H36 Ag2 N18 O8 -","2","1","","Ristić, Predrag; Filipović, Nenad; Blagojević, Vladimir; Ćirković, Jovana; Holló, Berta Barta; Đokić, Veljko R.; Donnard, Morgan; Gulea, Mihaela; Marjanović, Ivana; Klisurić, Olivera R.; Todorović, Tamara R.","2D and 3D silver-based coordination polymers with thiomorpholine-4-carbonitrile and piperazine-1,4-dicarbonitrile: structure, intermolecular interactions, photocatalysis, and thermal behavior","CrystEngComm","2021","23","27","4799","4815","10.1039/D1CE00394A","","","0.71073","MoKα","","0.0528","0.0425","","","0.0978","0.1048","","","","","","1.096","","","","has coordinates","268643","2021-09-06","10:23:05",""
"7242962","19.277","0.004","9.64","0.002","8.8871","0.0018","90","","81.711","0.007","90","","1634.2","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TL7B","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Wang, Pengfei; Meng, Fanda; Su, Hao; Liu, Lijie; Khan, Maroof Ahmad; Li, Hui","A highly selective “turn-on” water-soluble fluorescent sensor for gallium ion detection","RSC Advances","2021","11","32","19747","19754","10.1039/D1RA02582A","","","0.71073","MoKα","","0.0824","0.0567","","","0.1576","0.1782","","","","","","1.038","","","","has coordinates","265775","2021-06-04","04:16:52",""
"7242963","10.3946","0.0004","7.1672","0.0003","22.2958","0.0008","90","","94.2819","0.0011","90","","1656.4","0.11","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N2 O5 Re -","- C15 H19 N2 O5 Re -","- C60 H76 N8 O20 Re4 -","4","1","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","1.54178","CuKα","","0.0278","0.0274","","","0.0672","0.0675","","","","","","1.249","","","","has coordinates","265776","2021-06-04","04:17:57",""
"7242964","10.382","0.004","10.503","0.004","16.36","0.006","80.32","0.03","80.44","0.03","74.62","0.02","1681.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O5 Re -","- C15 H16 N2 O5 Re -","- C60 H64 N8 O20 Re4 -","4","2","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","0.71073","MoKα","","0.1561","0.0838","","","0.1849","0.2349","","","","","","0.839","","","","has coordinates","265776","2021-06-04","04:18:07",""
"7242965","17.0007","0.0003","10.2467","0.0002","20.5719","0.0004","90","","110.439","0.001","90","","3358.04","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O5 Re -","- C15 H16 N2 O5 Re -","- C120 H128 N16 O40 Re8 -","8","2","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","0.71073","MoKα","","0.0945","0.0492","","","0.111","0.135","","","","","","0.768","","","","has coordinates","265776","2021-06-04","04:18:09",""
"7242966","11.8875","0.0004","10.0482","0.0003","14.1283","0.0004","90","","92.488","0.002","90","","1686.01","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O5 Re -","- C14.5 H14.5 N2 O5 Re -","- C58 H58 N8 O20 Re4 -","4","1","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","0.71073","MoKα","","0.1072","0.0474","","","0.0987","0.1099","","","","","","1.03","","","","has coordinates","265776","2021-06-04","04:18:18",""
"7242967","6.852","0.0003","24.5256","0.0009","10.3668","0.0004","90","","108.523","0.0017","90","","1651.89","0.12","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O4 Re -","- C15 H16 N2 O4 Re -","- C60 H64 N8 O16 Re4 -","4","1","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","1.54178","CuKα","","0.0363","0.0343","","","0.0969","0.099","","","","","","1.041","","","","has coordinates,has disorder","265776","2021-06-04","04:18:18",""
"7242968","12.0638","0.0014","8.9307","0.0009","12.9341","0.0014","90","","108.465","0.012","90","","1321.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxybenzyl) chroman-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh","Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis","RSC Advances","2021","11","33","20123","20136","10.1039/D1RA02245H","","","0.71073","MoKα","","0.1217","0.0647","","","0.1302","0.1632","","","","","","1.029","","","","has coordinates","265822","2021-06-05","04:41:43",""
"7242969","7.385","0.007","27.33","0.03","8.364","0.008","90","","115.63","0.011","90","","1522","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-(2,4-Dimethoxybenzyl) chroman-4-one","3-(2,4-Dimethoxybenzyl) chroman-4-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh","Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis","RSC Advances","2021","11","33","20123","20136","10.1039/D1RA02245H","","","0.71075","MoKα","","0.1171","0.0533","","","0.109","0.1405","","","","","","0.925","","","","has coordinates","265822","2021-06-05","04:41:43",""
"7242970","10.5537","0.001","11.0474","0.0011","13.2402","0.0013","114.381","0.003","99","0.003","101.915","0.003","1324.2","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 N O6 S -","- C32 H23 N O6 S -","- C64 H46 N2 O12 S2 -","2","1","","Lin, Huawei; Yang, Huimin; Gong, Qi; Luo, Shan; Gu, Jing; Cao, Xiaoqun; Mao, Biming; Ge, Yanqing; Yuan, Chunhao","Construction of cyclopentane-fused coumarins via DBU-catalyzed [3+2] cycloaddition of 3-homoacyl coumarins with cyclic 1-azadienes","RSC Advances","2021","11","33","20118","20122","10.1039/D1RA03387E","","","1.34139","GaKα","","0.0793","0.0758","","","0.2104","0.2158","","","","","","1.039","","","","has coordinates","265823","2021-06-05","04:42:14",""
"7242971","10.7505","0.0004","10.132","0.0004","18.7022","0.0008","90","","103.122","0.004","90","","1983.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Amantadine ferulate isopropanol solvate","1-Adamantylammonium 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid propan-2-ol","","- C21.5 H31 N O4.5 -","- C21.5 H31 N O4.5 -","- C86 H124 N4 O18 -","4","1","","Niu, Yuan-Yuan; Wang, Ling-Yang; Yu, Yue-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Molecular adduct of amantadine ferulate presents a pathway for slowing in vitro/vivo releases and raising synergistic antiviral effects via dual optimization salification strategy","CrystEngComm","2021","23","24","4389","4401","10.1039/D1CE00382H","","","1.54184","CuKα","","0.0456","0.0396","","","0.1001","0.1058","","","","","","1.029","","","","has coordinates,has disorder","267098","2021-07-05","17:03:56",""
"7242972","10.7535","0.0007","8.9587","0.0006","27.8995","0.0019","90","","96.321","0.001","90","","2671.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H19 N6 O6 -","- C33 H19 N6 O6 -","- C132 H76 N24 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.1367","0.0578","","","0.1396","0.1774","","","","","","0.995","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242973","8.9598","0.0005","21.9155","0.0011","9.5862","0.0005","90","","116.711","0.001","90","","1681.46","0.15","293","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 I3 N O6 -","- C14 H7 I3 N O6 -","- C56 H28 I12 N4 O24 -","4","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.039","0.0341","","","0.0843","0.0866","","","","","","1.076","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242974","14.811","0.006","9.023","0.004","24.11","0.01","90","","106.673","0.007","90","","3087","2","293","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 I2 N O6 -","- C14 H8 I2 N O6 -","- C112 H64 I16 N8 O48 -","8","1","","Wang, Chen; You, Zi Xin; Xing, Yong-Heng; Bai, Feng-Ying; Shi, Zhan","A three-dimensional supramolecular network structure through hydrogen bonding and π‒π interaction: synthesis, structure, and the fluorescence detection of balsalazide disodium","CrystEngComm","2021","23","27","4840","4847","10.1039/D1CE00373A","","","0.71073","MoKα","","0.0637","0.0375","","","0.0799","0.0891","","","","","","1.03","","","","has coordinates","268640","2021-09-06","10:22:20",""
"7242975","11.7416","0.0007","12.0658","0.001","15.0919","0.001","113.393","0.007","98.517","0.005","103.527","0.006","1837","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (4:3)","","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","- C64 H88 F12 N12 O18 -","1","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0829","0.0392","","","0.0804","0.0894","","","","","","0.846","","","","has coordinates,has disorder","268641","2021-09-06","10:22:32",""
"7242976","7.664","0.006","10.486","0.008","15.09","0.009","74.09","0.019","87.76","0.03","69.95","0.02","1093.5","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C38 H58 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.1965","0.1455","","","0.4064","0.4386","","","","","","1.045","","","","has coordinates","268641","2021-09-06","10:22:35",""
"7242977","13.4328","0.0006","16.8984","0.0008","9.2577","0.0004","90","","96.591","0.002","90","","2087.54","0.16","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-diamino-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 F2 N3 O6 -","- C19 H29 F2 N3 O6 -","- C76 H116 F8 N12 O24 -","4","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0499","0.0348","","","0.0999","0.1138","","","","","","0.987","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242978","9.295","0.005","14.527","0.005","11.722","0.005","90","","109.33","0.06","90","","1493.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","2,4-diamino-3,5,6-trifluorobenzonitrile‒18-crown-6 ether (2:1)","","- C26 H32 F6 N6 O6 -","- C26 F6 N6 O6 -","- C52 F12 N12 O12 -","2","0.5","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","1.54184","CuKα","","0.4752","0.4081","","","0.7372","0.7727","","","","","","2.392","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242979","13.9801","0.0016","15.5918","0.0017","3.6651","0.0004","90","","90","","90","","798.9","0.15","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4-diamino-3,5,6-trifluorobenzonitrile hydrate","","- C7 H4 F3 N3 O0.5 -","- C7 H4 F3 N3 O0.5 -","- C28 H16 F12 N12 O2 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0608","0.0455","","","0.1384","0.1564","","","","","","1.009","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242980","27.0089","0.0013","10.124","0.0005","17.2092","0.0007","90","","97.123","0.002","90","","4669.3","0.4","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,6-diamino-4-chloro-3-fluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H29 Cl F N3 O6 -","- C19 H29 Cl F N3 O6 -","- C152 H232 Cl8 F8 N24 O48 -","8","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.118","0.0815","","","0.2553","0.2998","","","","","","0.953","","","","has coordinates,has disorder","268641","2021-09-06","10:22:41",""
"7242981","7.1619","0.0005","7.5769","0.0006","7.6716","0.0005","107.27","0.004","100.818","0.003","107.844","0.003","360.19","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2,4-diamino-3,5-difluorobenzonitrile","","- C7 H5 F2 N3 -","- C7 H5 F2 N3 -","- C14 H10 F4 N6 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0609","0.0448","","","0.1338","0.1506","","","","","","1.087","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242982","7.3003","0.0011","9.7706","0.0014","16.622","0.002","89.928","0.005","89.964","0.005","75.875","0.004","1149.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","2,6-diamino-4-chloro-3,5-difluorobenzonitrile and 18-crown-6, 1:1 co-crystal","","- C19 H28 Cl F2 N3 O6 -","- C19 H28 Cl F2 N3 O6 -","- C38 H56 Cl2 F4 N6 O12 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V.","Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure","CrystEngComm","2021","23","27","4767","4781","10.1039/D1CE00530H","","","0.71073","MoKα","","0.0463","0.0355","","","0.078","0.0843","","","","","","0.972","","","","has coordinates","268641","2021-09-06","10:22:41",""
"7242983","6.1089","0.0002","9.6567","0.0005","15.8773","0.0006","87.008","0.004","88.263","0.003","88.159","0.003","934.49","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0659","0.0555","","","0.1551","0.1754","","","","","","1.011","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242984","7.5775","0.0009","7.9456","0.0008","16.2096","0.0013","103.927","0.008","96.226","0.008","104.186","0.01","903.71","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","0.71073","MoKα","","0.1124","0.0547","","","0.1284","0.1571","","","","","","0.998","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242985","10.0941","0.0002","10.1582","0.0002","10.8283","0.0003","63.183","0.002","70.379","0.002","80.704","0.002","933.3","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0466","0.042","","","0.1241","0.1289","","","","","","1.073","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242986","10.0975","0.0003","10.1452","0.0004","10.8422","0.0005","63.157","0.004","70.317","0.003","80.642","0.003","933.03","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cl2 N2 O2 -","- C21 H16 Cl2 N2 O2 -","- C42 H32 Cl4 N4 O4 -","2","1","","Kikuchi, Yusuke; Matsumoto, Shinya","Chlorinated diketopyrrolopyrrole dye exhibits a three-step polymorphic transition with thermosalient effects","CrystEngComm","2021","23","34","5882","5890","10.1039/D1CE00454A","","x-ray","1.54184","CuKα","","0.0556","0.0452","","","0.1278","0.1359","","","","","","1.082","","","","has coordinates","268684","2021-09-06","10:31:48",""
"7242987","11.7117","0.0014","12.099","0.0013","11.7979","0.0013","90","","103.17","0.012","90","","1627.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Co1.2 Ni1.8 O10 -","- C16 H8 Co1.2 Ni1.8 O10 -","- C64 H32 Co4.8 Ni7.2 O40 -","4","1","","Yu, Bin-Bin; Hua, Yi-Wei; Huang, Qi; Ye, Si-Yuan; Zhang, Hao-Dong; Yan, Zheng; Li, Rui-Wen; Wu, Jun; Meng, Yan; Cao, Xuebo","Two-dimensional stable and ultrathin cluster-based metal‒organic layers for efficient electrocatalytic water oxidation","CrystEngComm","2021","23","26","4700","4707","10.1039/D1CE00350J","","x-ray","1.54184","CuKα","","0.1264","0.0866","","","0.2141","0.255","","","","","","1.001","","","","has coordinates,has disorder","268661","2021-09-06","10:26:32",""
"7242988","9.4088","0.0007","12.5525","0.0009","15.2532","0.0011","71.5265","0.0015","77.3805","0.0015","71.2592","0.0015","1604.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 Br2 N O2 -","- C37 H31 Br2 N O2 -","- C74 H62 Br4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.0576","0.0489","","","0.1378","0.1451","","","","","","1.044","","","","has coordinates,has disorder","268683","2021-09-06","10:31:40",""
"7242989","10.864","0.004","12.004","0.004","14.739","0.005","99.378","0.01","91.705","0.01","91.595","0.01","1894.6","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H32 B I2 N O -","- C45 H32 B I2 N O -","- C90 H64 B2 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1126","0.0557","","","0.1352","0.1629","","","","","","1.024","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242990","6.0896","0.0004","9.3799","0.0006","24.4891","0.0015","84.352","0.002","86.909","0.002","87.232","0.002","1388.7","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B Cl2 F2 N O -","- C33 H22 B Cl2 F2 N O -","- C66 H44 B2 Cl4 F4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.71073","MoKα","","0.1301","0.0613","","","0.1016","0.1212","","","","","","1.018","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242991","6.2357","0.0003","9.7731","0.0004","24.6541","0.001","79.707","0.001","88.857","0.002","85.753","0.002","1474.2","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H22 B F2 I2 N O -","- C33 H22 B F2 I2 N O -","- C66 H44 B2 F4 I4 N2 O2 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","0.7288","synchrotron","","0.0343","0.0305","","","0.0604","0.0634","","","","","","1.151","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242992","9.33","0.003","12.726","0.003","15.427","0.003","72.271","0.01","76.816","0.012","70.156","0.01","1625.1","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 I2 N O2 -","- C36 H29 I2 N O2 -","- C72 H58 I4 N2 O4 -","2","1","","García-González, Ma. Carmen; Navarro-Huerta, Armando; Rodríguez-Muñoz, Fanny Chantal; Vera-Alvízar, Estefanía Guadalupe; Vera Ramírez, Marco A.; Rodríguez-Hernández, Joelis; Rodríguez, Mario; Rodríguez-Molina, Braulio","The design of dihalogenated TPE monoboronate complexes as mechanofluorochromic crystals","CrystEngComm","2021","23","34","5908","5917","10.1039/D1CE00442E","","","1.54178","CuKα","","0.0664","0.0495","","","0.1183","0.1304","","","","","","1.044","","","","has coordinates","268683","2021-09-06","10:31:41",""
"7242993","15.498","0.002","7.0467","0.001","9.0692","0.0015","90","","104.821","0.016","90","","957.5","0.3","190","0.1","190","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0974","0.0784","","","0.1941","0.2021","","","","","","1.142","","","","has coordinates,has disorder","267120","2021-07-05","17:10:10",""
"7242994","15.5861","0.0009","7.0608","0.0004","9.0691","0.0006","90","","105.198","0.007","90","","963.15","0.11","210.05","0.1","210.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0484","0.0385","","","0.1083","0.1145","","","","","","1.08","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242995","15.6639","0.0012","7.0936","0.0006","9.0904","0.0009","90","","105.663","0.009","90","","972.56","0.15","250.05","0.1","250.05","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0506","0.0369","","","0.1034","0.1118","","","","","","1.037","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242996","15.6931","0.0011","7.111","0.0005","9.0908","0.0008","90","","105.856","0.008","90","","975.88","0.14","270.06","0.1","270.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0528","0.0375","","","0.1057","0.1151","","","","","","1.038","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242997","15.6264","0.0011","7.0823","0.0005","9.0843","0.0007","90","","105.399","0.008","90","","969.27","0.13","230.06","0.1","230.06","0.1","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0482","0.037","","","0.1056","0.1129","","","","","","1.033","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242998","15.7226","0.0013","7.1311","0.0006","9.0875","0.001","90","","106.081","0.01","90","","979.02","0.17","290.06","0.11","290.06","0.11","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","x-ray","0.71073","MoKα","","0.0565","0.0375","","","0.1061","0.1174","","","","","","1.026","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7242999","5.6685","0.00005","7.45207","0.00006","23.56855","0.00019","90","","90","","90","","995.584","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0296","0.0289","","","0.0794","0.08","","","","","","1.08","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243000","5.7302","0.001","7.415","0.0011","23.579","0.003","90","","90","","90","","1001.9","0.3","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0672","0.0599","","","0.1639","0.1743","","","","","","1.078","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243001","5.67404","0.00005","7.47072","0.00006","23.5754","0.0002","90","","90","","90","","999.341","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0317","0.0306","","","0.0828","0.0838","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243002","5.8323","0.0008","7.3764","0.0007","23.496","0.003","90","","90","","90","","1010.8","0.2","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.1002","0.0825","","","0.2012","0.2313","","","","","","1.046","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243003","5.86556","0.00007","7.46244","0.00009","23.3965","0.0003","90","","90","","90","","1024.1","0.02","290","2","290.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0371","0.0332","","","0.0928","0.0962","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243004","5.85572","0.00006","7.39661","0.00007","23.4514","0.0002","90","","90","","90","","1015.74","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0309","0.0294","","","0.0786","0.0799","","","","","","1.046","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243005","5.8614","0.00006","7.42624","0.00008","23.428","0.0003","90","","90","","90","","1019.78","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0817","0.0842","","","","","","1.049","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243006","5.8501","0.00006","7.36978","0.00007","23.4676","0.0002","90","","90","","90","","1011.78","0.017","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0297","0.0282","","","0.075","0.0764","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243007","5.85038","0.00008","7.371","0.00011","23.4704","0.0003","90","","90","","90","","1012.12","0.02","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0284","0.0273","","","0.0728","0.0737","","","","","","1.082","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243008","5.83741","0.00005","7.3243","0.00006","23.48978","0.00019","90","","90","","90","","1004.3","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0283","0.0274","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243009","5.8556","0.0005","7.4394","0.0006","23.4466","0.0018","90","","90","","90","","1021.38","0.14","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0356","0.0319","","","0.087","0.089","","","","","","1.051","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243010","5.82153","0.00008","7.2732","0.00013","23.5087","0.0003","90","","90","","90","","995.39","0.03","130","2","129.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0752","0.076","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243011","5.84375","0.00005","7.34622","0.00006","23.48048","0.0002","90","","90","","90","","1008.01","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0734","0.0742","","","","","","1.073","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243012","5.7261","0.0001","7.5472","0.0001","23.5464","0.0004","90","","90","","90","","1017.58","0.03","290","2","289.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0346","0.0311","","","0.0859","0.0887","","","","","","1.056","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243013","5.81332","0.00008","7.24959","0.00014","23.5153","0.0004","90","","90","","90","","991.03","0.03","100","2","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0325","0.0314","","","0.0859","0.0869","","","","","","1.076","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243014","5.83819","0.00007","7.32399","0.00009","23.4915","0.0003","90","","90","","90","","1004.47","0.02","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0267","0.0258","","","0.0674","0.0679","","","","","","1.047","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243015","5.86137","0.00006","7.42616","0.00008","23.4265","0.0003","90","","90","","90","","1019.7","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0836","0.0861","","","","","","1.043","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243016","5.84449","0.00008","7.34651","0.0001","23.4842","0.0003","90","","90","","90","","1008.33","0.02","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0281","0.0269","","","0.0692","0.07","","","","","","1.055","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243017","5.85593","0.00008","7.39741","0.00011","23.4532","0.0003","90","","90","","90","","1015.96","0.02","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0292","0.0274","","","0.0718","0.0732","","","","","","1.081","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243018","5.83221","0.00008","7.30484","0.00011","23.5004","0.0003","90","","90","","90","","1001.2","0.02","170","2","169.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.028","0.027","","","0.0686","0.0693","","","","","","1.083","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243019","5.85561","0.00006","7.3967","0.00007","23.4494","0.0002","90","","90","","90","","1015.65","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0316","0.0299","","","0.0818","0.0834","","","","","","1.058","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243020","5.82676","0.00008","7.28832","0.00012","23.5058","0.0003","90","","90","","90","","998.23","0.02","150","2","149.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0279","0.027","","","0.0702","0.0708","","","","","","1.066","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243021","8.8064","0.0014","26.14","0.004","8.8642","0.0015","90","","94.291","0.005","90","","2034.8","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C32 H24 Cl4 Cu2 N4 O18 S2 -","- C64 H48 Cl8 Cu4 N8 O36 S4 -","2","0.5","","Thakur, Snehasish; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","A theoretical insight into the formation of chalcogen bonding (ChB) interactions involving coordinated DMSO molecules as σ-hole donors and benzoate groups as σ-hole acceptors in a dinuclear copper(ii) complex","CrystEngComm","2021","23","29","5087","5096","10.1039/D1CE00624J","","","0.71073","MoKα","","0.0478","0.0431","","","0.1254","0.1303","","","","","","0.925","","","","has coordinates","268633","2021-09-06","10:18:59",""
"7243022","7.3163","0.0002","12.5322","0.0004","22.0934","0.0003","99.217","0.002","97.693","0.002","94.038","0.002","1972.82","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10.33 H7.33 Cl4 N2 O0.33 Pt -","- C10.3333 H7.33333 Cl4 N2 O0.333333 Pt -","- C62 H44 Cl24 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0402","0.0337","","","0.0991","0.105","","","","","","1.065","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243023","4.205","0.0001","15.1349","0.0004","11.8849","0.0004","90","","92.547","0.003","90","","755.63","0.04","150","","150","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H9 Cl4 N3 Pt -","- C12 H9 Cl4 N3 Pt -","- C24 H18 Cl8 N6 Pt2 -","2","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0635","0.0605","","","0.1702","0.1723","","","","","","1.093","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243024","17.5085","0.0002","6.8605","0.0001","14.2988","0.0002","90","","94.738","0.001","90","","1711.66","0.04","150","","150","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Br2 Cl2 N2 O Pt -","- C13 H12 Br2 Cl2 N2 O Pt -","- C52 H48 Br8 Cl8 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.1079","0.1093","","","","","","1.075","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243025","17.3962","0.0004","6.7242","0.0001","14.1075","0.0003","90","","93.761","0.002","90","","1646.68","0.06","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C13 H12 Cl4 N2 O Pt -","- C13 H12 Cl4 N2 O Pt -","- C52 H48 Cl16 N8 O4 Pt4 -","4","0.5","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0301","0.0295","","","0.0816","0.0822","","","","","","1.125","","","","has coordinates,has disorder","268686","2021-09-06","10:32:05",""
"7243026","7.4532","0.0001","12.7323","0.0002","22.1827","0.0003","99.629","0.001","98.186","0.001","94.794","0.001","2041.78","0.05","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10.33 H7.33 Br2 Cl2 N2 O0.33 Pt -","- C10.3333 H7.33333 Br2 Cl2 N2 O0.333333 Pt -","- C62 H44 Br12 Cl12 N12 O2 Pt6 -","6","3","","Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes","CrystEngComm","2021","23","34","5891","5898","10.1039/D1CE00459J","","x-ray","1.54184","CuKα","","0.0463","0.0395","","","0.1032","0.1086","","","","","","1.097","","","","has coordinates","268686","2021-09-06","10:32:05",""
"7243027","27.5455","0.0002","27.5455","0.0002","27.5455","0.0002","90","","90","","90","","20900.3","0.3","243.01","0.1","243.01","0.1","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C44 H38 N40 O25 Zn8 -","- C5.5 H4.5 N5 O3.125 Zn -","- C132 H108 N120 O75 Zn24 -","24","0.5","","Talha, Khalid; Alamgir,; Ahmed, Naeem; Xie, Lin-Hua; Zhang, Xin; Li, Jian-Rong","Construction of a zeolite A-type multivariate metal‒organic framework for selective sensing of Fe3+ and Cr2O72−","CrystEngComm","2021","23","28","4923","4929","10.1039/D1CE00610J","","x-ray","1.54178","CuKα","","0.1234","0.0976","","","0.303","0.3537","","","","","","1.095","","","","has coordinates","268636","2021-09-06","10:20:38",""
"7243028","11.749","0.003","8.961","0.002","25.585","0.006","90","","101.49","0.03","90","","2639.7","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Cl2 N5 O2 Zn -","- C25 H23 Cl2 N5 O2 Zn -","- C100 H92 Cl8 N20 O8 Zn4 -","4","0.5","","Wang, Yanru; Wang, Ani; Pan, Jie; Xue, Zhenzhen; Li, Jinhua; Wang, Guoming","Metal‒organic complex-derived 3D porous carbon-supported g-C3N4/TiO2 as photocatalysts for the efficient degradation of antibiotic","CrystEngComm","2021","23","26","4717","4723","10.1039/D1CE00709B","","","0.71073","MoKα","","0.0474","0.0366","","","0.0885","0.0953","","","","","","1.06","","","","has coordinates","268660","2021-09-06","10:26:26",""
"7243029","12.6615","0.0007","4.8528","0.0002","39.0056","0.0017","90","","98.502","0.004","90","","2370.31","0.19","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 F6 N2 S -","- C29 H16 F6 N2 S -","- C116 H64 F24 N8 S4 -","4","1","","Kumar, Avulu Vinod; Rohullah, Mehdi; Ravi, Jada; Godumala, Mallesham; Annadhasan, Mari; Chandrasekar, Rajadurai","Mechanophotonic aspects of a room temperature phosphorescent flexible organic microcrystal","CrystEngComm","2021","23","34","5774","5779","10.1039/D1CE00475A","","x-ray","0.71073","MoKα","","0.2165","0.0903","","","0.1965","0.3128","","","","","","1.027","","","","has coordinates,has disorder","268685","2021-09-06","10:31:55",""
"7243030","7.165","0.0004","12.9313","0.0008","13.5","0.0008","90","","90.8316","0.0018","90","","1250.68","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0289","0.0228","","","0.0499","0.0519","","","","","","1.058","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243031","3.8383","0.0002","22.1816","0.0009","14.0252","0.0006","90","","90","","90","","1194.1","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H10 Cl Cu N2 S2 -","- C11 H10 Cl Cu N2 S2 -","- C44 H40 Cl4 Cu4 N8 S8 -","4","0.5","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0286","0.0236","","","0.0511","0.0528","","","","","","1.106","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243032","13.0329","0.0007","12.4106","0.0006","14.8895","0.0008","90","","92.525","0.002","90","","2406","0.2","276","2","276","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 Cl Cu N2 S2 -","- C11 H9 Cl Cu N2 S2 -","- C88 H72 Cl8 Cu8 N16 S16 -","8","1","","Gómez-Paz, Olaya; Carballo, Rosa; Lago, Ana B.; Vázquez-López, Ezequiel M.","Polymorphism in a two-dimensional copper(i) metal‒organic framework with the ligand bis(4-pyridylthio)methane","CrystEngComm","2021","23","26","4658","4666","10.1039/D1CE00461A","","","0.71073","MoKα","","0.0413","0.0296","","","0.071","0.0781","","","","","","0.785","","","","has coordinates","268659","2021-09-06","10:26:20",""
"7243033","10.249","0.003","11.657","0.004","14.822","0.004","104.005","0.008","92.306","0.008","109.243","0.007","1608.2","0.9","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","3-Methoxy-10,10-dimethyl-6,9,10,11-tetrahydrobenzo[c]acridin-8(5H)-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok","Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors","Green Chemistry","2021","23","14","5113","5119","10.1039/D1GC01332G","","","0.71073","MoKα","","0.1518","0.0755","","","0.1895","0.2295","","","","","","1.042","","","","has coordinates","268823","2021-09-06","11:47:39",""
"7243034","5.8897","0.0012","19.96","0.004","11.987","0.003","90","","103.094","0.007","90","","1372.5","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,8-Dimethyl-6,7,8,11-tetrahydro-9H-indeno[1,2-b]quinolin-9-one","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok","Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors","Green Chemistry","2021","23","14","5113","5119","10.1039/D1GC01332G","","","0.71073","MoKα","","0.0915","0.0567","","","0.1367","0.1594","","","","","","1.042","","","","has coordinates,has disorder","268823","2021-09-06","11:47:40",""
"7243035","11.1052","0.001","16.1802","0.0015","9.2208","0.0009","90","","90","","90","","1656.8","0.3","223","2","223","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","5,6,7,9,10,11-Hexahydrobenzo[6,7]cyclohepta[1,2-b]benzo[6,7]cyclohepta[2,1-e]pyridine","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","0.5","","Jamshaid, Sana; Mohandoss, Sonaimuthu; Lee, Yong Rok","Indium(iii)-catalyzed solvent-free multicomponent [2 + 2 + 1 + 1]-annulation to polycyclic functionalized fused pyridines as potential optical chemosensors","Green Chemistry","2021","23","14","5113","5119","10.1039/D1GC01332G","","","0.71073","MoKα","","0.0577","0.0412","","","0.1","0.1118","","","","","","1.061","","","","has coordinates","268823","2021-09-06","11:47:40",""
"7243036","24.4486","0.0003","24.4486","0.0003","29.1012","0.0008","90","","90","","120","","15064.3","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H35 Cl2 Cu N4 O11 -","- C28 H35 Cl2 Cu N4 O11 -","- C504 H630 Cl36 Cu18 N72 O198 -","18","1","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1076","0.0859","","","0.245","0.2739","","","","","","1.052","","","","has coordinates,has disorder","266346","2021-06-10","04:38:29",""
"7243037","7.7191","0.0015","36.122","0.007","8.4932","0.0017","90","","92.41","0.03","90","","2366.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Co N4 O4 -","- C24 H20 Cl2 Co N4 O4 -","- C96 H80 Cl8 Co4 N16 O16 -","4","1","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1276","0.065","","","0.1151","0.1303","","","","","","1.106","","","","has coordinates","266346","2021-06-10","04:38:31",""
"7243038","24.0755","0.0008","24.0755","0.0008","29.5779","0.001","90","","90","","120","","14847.3","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C252 H324 Cl18 Co9 N36 O98.25 -","- C252 H324 Cl18 Co9 N36 O98.25 -","- C504 H648 Cl36 Co18 N72 O196.5 -","2","0.111111","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1291","0.1016","","","0.2669","0.3032","","","","","","1.052","","","","has coordinates","266346","2021-06-10","04:38:31",""
"7243039","10.49993","0.00015","11.00975","0.00013","12.68737","0.00015","112.81","0.0011","91.4574","0.0011","109.916","0.0012","1249.96","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C62 H40 N8 S4 -","2","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0382","0.0357","","","0.1001","0.1022","","","","","","1.094","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243040","17.5816","0.0006","20.1048","0.0007","6.9531","0.0003","90","","95.208","0.004","90","","2447.6","0.16","223","","223.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 N4 S2 -","- C31 H17 N4 S2 -","- C124 H68 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","x-ray","1.54184","CuKα","","0.0609","0.0538","","","0.1617","0.1857","","","","","","1.117","","","","has coordinates,has disorder","268682","2021-09-06","10:31:32",""
"7243041","18.6467","0.0007","7.9281","0.0002","20.2852","0.0008","90","","114.132","0.005","90","","2736.7","0.2","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 S2 -","- C31 H20 N4 S2 -","- C124 H80 N16 S8 -","4","1","","Ito, Suguru; Nagai, Sayaka; Ubukata, Takashi; Tachikawa, Takashi","Multi-color mechanochromic luminescence of three polymorphic crystals of a donor‒acceptor-type benzothiadiazole derivative","CrystEngComm","2021","23","34","5899","5907","10.1039/D1CE00445J","","","1.54184","CuKα","","0.0525","0.0507","","","0.1457","0.1474","","","","","","1.036","","","","has coordinates","268682","2021-09-06","10:31:32",""
"7243042","14.016","0.0017","8.1673","0.001","14.8905","0.0019","90","","94.665","0.002","90","","1698.9","0.4","296","0.2","296","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 -","- C22 H17 N3 -","- C88 H68 N12 -","4","1","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0477","0.0388","","","0.0965","0.1026","","","","","","1.061","","","","has coordinates","268632","2021-09-06","10:18:50",""
"7243043","7.6654","0.0004","12.3371","0.0005","14.5545","0.0007","90","","96.846","0.004","90","","1366.59","0.11","298","0.2","298","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 Cu N2 O12 -","- C24 H22 Cl2 Cu N2 O12 -","- C48 H44 Cl4 Cu2 N4 O24 -","2","0.5","","Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar","Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies","CrystEngComm","2021","23","29","5078","5086","10.1039/D1CE00569C","","","0.71073","MoKα","","0.0993","0.0543","","","0.1398","0.1813","","","","","","1.031","","","","has coordinates","268632","2021-09-06","10:18:52",""
"7243044","8.459","0.004","10.258","0.005","13.519","0.007","107.813","0.005","96.028","0.006","91.195","0.006","1108.9","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N2 O -","- C31 H19 N2 O -","- C62 H38 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0708","0.0483","","","0.1319","0.1471","","","","","","1.035","","","","has coordinates,has disorder","268638","2021-09-06","10:21:29",""
"7243045","5.6736","0.0015","25.031","0.006","18.519","0.005","90","","105.22","0.007","90","","2537.7","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N2 O2 -","- C34 H22 N2 O2 -","- C136 H88 N8 O8 -","4","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0727","0.05","","","0.1308","0.1482","","","","","","1.025","","","","has coordinates","268638","2021-09-06","10:21:32",""
"7243046","9.934","0.004","11.169","0.004","14.409","0.005","81.527","0.004","72.017","0.004","66.137","0.004","1390.2","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 N2 O2 -","- C38 H24 N2 O2 -","- C76 H48 N4 O4 -","2","1","","Zeng, Fei; Tang, Lin-Li; Liao, Juan; Ding, Man-Hua; Ou, Guang-Chuan","Formation of sandwich, macrocyclic and box supramolecular assemblies that were controlled by the distance of two oxygen atoms in hydrogen bonding donors","CrystEngComm","2021","23","28","4901","4904","10.1039/D1CE00644D","","","0.71073","MoKα","","0.0733","0.048","","","0.1332","0.151","","","","","","1.029","","","","has coordinates","268638","2021-09-06","10:21:37",""
"7243047","9.633","0.0006","25.6233","0.0011","10.1786","0.0006","90","","101.978","0.005","90","","2457.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H28 Mn3 N6 O12 -","- C52 H28 Mn3 N6 O12 -","- C104 H56 Mn6 N12 O24 -","2","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0909","0.0708","","","0.195","0.2117","","","","","","1.067","","","","has coordinates","268635","2021-09-06","10:20:11",""
"7243048","7.0276","0.0011","11.7785","0.0014","13.2567","0.0017","114.548","0.012","94.882","0.012","103.487","0.012","949.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","- C28 H44 N2 Ni3 O28 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1271","0.0795","","","0.2207","0.2572","","","","","","1.052","","","","has coordinates,has disorder","268635","2021-09-06","10:20:14",""
"7243049","9.6405","0.0009","10.1868","0.0008","12.8047","0.0012","76.922","0.007","70.96","0.009","78.692","0.007","1147.62","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","- C48 H28 Mn3 N6 O12 -","1","0.5","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.0572","0.0413","","","0.0974","0.109","","","","","","0.88","","","","has coordinates","268635","2021-09-06","10:20:17",""
"7243050","8.0999","0.0003","27.363","0.001","20.2667","0.0008","90","","96.328","0.004","90","","4464.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Co3 N4 O24 -","- C40 H44 Co3 N4 O24 -","- C160 H176 Co12 N16 O96 -","4","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Proton conductivities of four low dimensional MOFs: affected by the amount of chelated ligands","CrystEngComm","2021","23","29","5106","5115","10.1039/D1CE00589H","","","1.54184","CuKα","","0.1086","0.0737","","","0.1849","0.2108","","","","","","1.048","","","","has coordinates","268635","2021-09-06","10:20:28",""
"7243051","16.9","0.002","5.571","0.0007","16.42","0.002","90","","96.441","0.004","90","","1536.2","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene","","- C22 H14 -","- C22 H14 -","- C88 H56 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1999","0.0779","","","0.1928","0.3051","","","","","","1.091","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243052","9.7595","0.0005","7.9919","0.0003","36.1641","0.0016","90","","91.478","0.0018","90","","2819.8","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_1,2,4,5-tetracyanobenzene","","- C37 H17 N6 -","- C37 H17 N6 -","- C148 H68 N24 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1199","0.0668","","","0.1336","0.1608","","","","","","1.066","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243053","6.8012","0.0004","24.7708","0.0015","14.5619","0.0009","90","","101.513","0.002","90","","2403.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-(phenylethynyl)anthracene_octafluoronaphthalene","","- C32 H14 F8 -","- C32 H14 F8 -","- C128 H56 F32 -","4","1","","Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing","Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching","CrystEngComm","2021","23","34","5918","5924","10.1039/D1CE00449B","","","0.71073","MoKα","","0.1417","0.0784","","","0.1464","0.176","","","","","","1.074","","","","has coordinates","268681","2021-09-06","10:31:22",""
"7243054","8.30793","0.00016","15.8271","0.0003","25.9265","0.0007","90","","92.478","0.002","90","","3405.9","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Br2 N4 O2 -","- C36 H38 Br2 N4 O2 -","- C144 H152 Br8 N16 O8 -","4","1","","Xu, Zixuan; Su, Linhan; Chen, Xiaofen; Yang, Ying","A novel ionic AIE smart responsive material with multiple structural transformations","RSC Advances","2021","11","34","20911","20915","10.1039/D1RA03090F","","","1.54184","CuKα","","0.0785","0.0724","","","0.1754","0.1781","","","","","","1.19","","","","has coordinates","266463","2021-06-15","04:26:01",""
"7243055","16.7684","0.0002","7.5872","0.0001","12.5827","0.0002","90","","93.71","0.001","90","","1597.48","0.04","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cyclic diester","2c","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Saget, Raphaël; Jaunky, Piotr; Duñach, Elisabet","Bi(OTf)3-catalysed intramolecular cyclisation of unsaturated acetals","RSC Advances","2021","11","34","21066","21072","10.1039/D1RA03686F","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.1507","0.1562","","","","","","1.076","","","","has coordinates","266464","2021-06-15","04:26:23",""
"7243056","12.8677","0.0014","9.6306","0.001","16.3003","0.0016","90","","92.7196","0.0008","90","","2017.7","0.4","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_25deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.6437","","","","","","","has coordinates","268639","2021-09-06","10:22:03",""
"7243057","13.0245","0.0019","9.6841","0.0014","16.368","0.002","90","","92.7266","0.0009","90","","2062.2","0.5","418","","418","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MQZ-GLC_anhydrate_120deg","MQZ-GLC_anhydrate","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Okura, Ryuhei; Uchiyama, Hiromasa; Kadota, Kazunori; Tozuka, Yuichi","Hydrogen bonding from crystalline water mediates the hydration/dehydration of mequitazine glycolate","CrystEngComm","2021","23","27","4816","4824","10.1039/D1CE00543J","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.1475","","","","","","","has coordinates","268639","2021-09-06","10:22:09",""
"7243058","5.778","0.003","13.713","0.007","16.811","0.008","81.532","0.019","81.28","0.02","86.7","0.02","1301.4","1.1","140.15","","140.15","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C17 H10 O4 S2 -","- C17 H10 O4 S2 -","- C34 H20 O8 S4 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","x-ray","0.71073","MoKα","","0.181","0.142","","","0.4046","0.4283","","","","","","1.395","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243059","8.4537","0.0017","14.128","0.003","18.021","0.004","106.291","0.009","97.991","0.009","103.267","0.01","1962.5","0.7","149.99","","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-77","","- C34 H20 O8 S4 -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.2914","0.1694","","","0.4085","0.4897","","","","","","1.442","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243060","8.301","0.007","18.954","0.018","20.558","0.015","114.88","0.05","96.22","0.06","95.19","0.07","2884","4","150","2","149.99","","","","","","","","","4","P -1","-P 1","2","","PFC-78","","- C H O S -","- C34 H20 O8 S4 -","- C68 H40 O16 S8 -","2","1","","Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong","Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks","CrystEngComm","2021","23","27","4743","4747","10.1039/D1CE00519G","","","0.71073","MoKα","","0.28","0.196","","","0.493","0.554","","","","","","1.882","","","","has coordinates","268646","2021-09-06","10:23:39",""
"7243061","57.3567","0.001","57.3567","0.001","29.225","0.0005","90","","90","","90","","96144","3","123","","123.15","","","","","","","","","5","I 41","I 4bw","80","","Rb@18-crown","","- C262.38 H275.18 N18 O85.27 Rb3.98 -","- C262.376 H275.172 N18 O85.263 Rb3.982 -","- C2099.01 H2201.38 N144 O682.104 Rb31.856 -","8","1","","Mizuno, Asato; Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio","3D supramolecular chiral crystal structures of radical anion salts of (−)-NDI-Δ and possible magnetic phase diagrams","CrystEngComm","2021","23","29","5053","5059","10.1039/D1CE00628B","","","1.54187","CuKα","","0.1059","0.0494","","","0.1363","0.1806","","","","","","0.92","","","","has coordinates,has disorder","268634","2021-09-06","10:19:55",""
"7243062","3.8618","0.0003","33.708","0.003","11.8039","0.0012","90","","98.934","0.003","90","","1517.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C80 H56 N8 O4 S4 -","4","1","","Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu","Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes","Green Chemistry","2021","23","14","5024","5030","10.1039/D1GC01493E","","","0.71073","MoKα","","0.044","0.0346","","","0.0802","0.0856","","","","","","1.034","","","","has coordinates,has disorder","268822","2021-09-06","11:47:30",""
"7243063","9.3403","0.0006","17.0872","0.0009","10.882","0.0007","90","","106.207","0.003","90","","1667.74","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 O2 S -","- C21 H18 N2 O2 S -","- C84 H72 N8 O8 S4 -","4","1","","Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu","Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes","Green Chemistry","2021","23","14","5024","5030","10.1039/D1GC01493E","","","0.71073","MoKα","","0.0428","0.0359","","","0.0878","0.0924","","","","","","1.04","","","","has coordinates,has disorder","268822","2021-09-06","11:47:30",""
"7243064","14.02","0.004","8.187","0.002","15.972","0.004","90","","104.692","0.008","90","","1773.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl N2 O2 -","- C22 H15 Cl N2 O2 -","- C88 H60 Cl4 N8 O8 -","4","1","","Charpe, Vaibhav Pramod; Ragupathi, Ayyakkannu; Sagadevan, Arunachalam; Hwang, Kuo Chu","Photoredox synthesis of functionalized quinazolines via copper-catalyzed aerobic oxidative Csp2‒H annulation of amidines with terminal alkynes","Green Chemistry","2021","23","14","5024","5030","10.1039/D1GC01493E","","","0.71073","MoKα","","0.0553","0.0354","","","0.0811","0.0907","","","","","","1.008","","","","has coordinates","268822","2021-09-06","11:47:30",""
"7243065","18.517","0.0002","6.9182","0.0001","38.2895","0.0004","90","","90","","90","","4905.05","0.1","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C256 H176 N16 O64 -","16","2","","Bashir, Muhammad Adnan; Zhang, Yulong; Yu, Huaibin; Wang, Bofei; Zhao, Weining; Zhong, Fangrui","Bimetallic copper/cobalt-cocatalyzed double aerobic phenol oxidation/cyclization toward π-extended benzofuro[2,3-b]indoles as electron donors for electroluminescence","Green Chemistry","2021","23","14","5031","5036","10.1039/D1GC01658J","","x-ray","1.54184","CuKα","","0.039","0.037","","","0.095","0.0966","","","","","","1.046","","","","has coordinates","268825","2021-09-06","11:48:00",""
"7243066","7.7979","0.0002","36.7369","0.0006","14.1416","0.0002","90","","90","","90","","4051.15","0.14","100.7","0.7","100.7","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Si2 -","- C24 H22 Si2 -","- C192 H176 Si16 -","8","2","","Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M.","The photophysical properties of naphthalene bridged disilanes","RSC Advances","2021","11","35","21343","21350","10.1039/D1RA02961D","","x-ray","1.54184","CuKα","","0.0414","0.0341","","","0.0795","0.0824","","","","","","1.032","","","","has coordinates","266524","2021-06-17","04:40:06",""
"7243067","9.2512","0.0002","18.1877","0.0006","12.5609","0.0003","90","","104.094","0.002","90","","2049.85","0.1","174","30","174","30","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Si2 -","- C24 H24 Si2 -","- C96 H96 Si8 -","4","1","","Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M.","The photophysical properties of naphthalene bridged disilanes","RSC Advances","2021","11","35","21343","21350","10.1039/D1RA02961D","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1035","0.1138","","","","","","1.103","","","","has coordinates","266524","2021-06-17","04:40:07",""
"7243068","8.4828","0.0016","12.528","0.002","6.6496","0.0011","90","","92.535","0.016","90","","706","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(butane-1,4-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,4-dimer","","- C14 H16 N2 O6 -","- C7 H8 N O3 -","- C28 H32 N4 O12 -","4","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.1162","0.0954","","","0.2552","0.2825","","","","","","1.056","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243069","11.8489","0.0004","15.6629","0.0004","11.8621","0.0003","90","","93.465","0.002","90","","2197.44","0.11","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-hydroxycyclobut-3-ene-1,2-dione)","Sq-12-dimer-hydrate","","- C20 H18 N4 O14 -","- C20 H18 N4 O14 -","- C80 H72 N16 O56 -","4","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0615","0.0453","","","0.1171","0.1251","","","","","","1.069","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243070","7.8262","0.0003","9.1203","0.0004","10.2647","0.0004","79.094","0.004","86.345","0.003","79.409","0.003","706.86","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(ethane-1,2-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-methyldimer","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","0.71073","MoKα","","0.0572","0.0492","","","0.1304","0.1365","","","","","","1.036","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243071","9.8568","0.0001","10.1633","0.0001","12.2811","0.0001","90","","101.617","0.001","90","","1205.09","0.02","122.99","0.1","122.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4,4'-(ethane-1,2-diylbis(azanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,2-dimer","","- C12 H12 N2 O6 -","- C9.6 H9.6 N1.6 O4.8 -","- C48 H48 N8 O24 -","5","0.625","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","x-ray","1.54184","CuKα","","0.033","0.0325","","","0.0872","0.0875","","","","","","1.057","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243072","8.4804","0.0005","13.0556","0.0008","13.3103","0.001","84.028","0.006","86.103","0.006","89.868","0.005","1462.27","0.17","150","","150","","","","","","","","","4","P -1","-P 1","2","4,4'-(propane-1,3-diylbis(methylazanediyl))bis(3-methoxycyclobut-3-ene-1,2-dione)","Sq-1,3-methyldimer","","- C30 H36 N4 O12 -","- C30 H36 N4 O12 -","- C60 H72 N8 O24 -","2","1","","Singh, Abhishek; Singh, Reman Kumar; Patwari, G. Naresh","Hierarchy of π-stacking determines the conformational preferences of bis-squaramates","CrystEngComm","2021","23","31","5331","5336","10.1039/D1CE00623A","","","0.71073","MoKα","","0.1433","0.0795","","","0.1752","0.222","","","","","","1.03","","","","has coordinates","268674","2021-09-06","10:29:39",""
"7243073","7.4436","0.0003","10.1464","0.0005","11.1808","0.0004","89.53","0.001","74.805","0.001","86.082","0.002","812.97","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H17 N23 O -","- C4 H17 N23 O -","- C8 H34 N46 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0578","0.0397","","","0.0959","0.1049","","","","","","1.031","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243074","7.3804","0.0003","11.4595","0.0005","11.8445","0.0005","64.029","0.001","81.549","0.002","89.905","0.001","888.6","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H19 N21 O6 -","- C4 H19 N21 O6 -","- C8 H38 N42 O12 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0549","0.0397","","","0.0978","0.1049","","","","","","1.049","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243075","9.5686","0.0011","9.5808","0.001","9.5851","0.0011","81.051","0.003","81.699","0.003","60.468","0.003","752.9","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H10 N19 Na O -","- C4 H10 N19 Na O -","- C8 H20 N38 Na2 O2 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0683","0.0443","","","0.1108","0.123","","","","","","1.048","","","","has coordinates,has disorder","268669","2021-09-06","10:28:30",""
"7243076","13.226","0.002","10.403","0.002","7.7069","0.0015","90","","117.138","0.005","90","","943.7","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H15 N17 O2 S2 -","- C8 H15 N17 O2 S2 -","- C16 H30 N34 O4 S4 -","2","0.5","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0343","0.0311","","","0.0804","0.0822","","","","","","1.081","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243077","7.2417","0.0006","10.6666","0.0007","11.9926","0.0009","77.757","0.002","85.569","0.002","80.379","0.002","891.72","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H14 N17 Na O3 -","- C7 H14 N17 Na O3 -","- C14 H28 N34 Na2 O6 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0704","0.0451","","","0.1137","0.1267","","","","","","1.02","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243078","7.234","0.0013","10.5985","0.0019","13.966","0.003","70.681","0.005","89.167","0.006","71.541","0.005","953.6","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H18 N26 -","- C7 H18 N26 -","- C14 H36 N52 -","2","1","","Liu, Yifei; Dong, Zhen; Yang, Rui; Li, Haiyan; Liu, Yaxin; Ye, Zhiwen","Imino-bridged N-rich energetic materials: C4H3N17 and their derivatives assembled from the powerful combination of four tetrazoles","CrystEngComm","2021","23","31","5377","5384","10.1039/D1CE00674F","","","0.71073","MoKα","","0.0554","0.0406","","","0.0971","0.1047","","","","","","1.03","","","","has coordinates","268669","2021-09-06","10:28:30",""
"7243079","15.6432","0.0003","13.2799","0.0002","17.6411","0.0004","90","","114.078","0.002","90","","3345.9","0.12","272","1","272","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 N4 -","- C42 H36 N4 -","- C168 H144 N16 -","4","1","","Luo, Zhenli; Pan, Yixiao; Yao, Zhen; Yang, Ji; Zhang, Xin; Liu, Xintong; Xu, Lijin; Fan, Qing-Hua","BF3·Et2O as a metal-free catalyst for direct reductive amination of aldehydes with amines using formic acid as a reductant","Green Chemistry","2021","23","14","5205","5211","10.1039/D1GC01468D","","x-ray","1.54184","","","0.0559","0.0447","","","0.1198","0.1279","","","","","","1.027","","","","has coordinates","268824","2021-09-06","11:47:52",""
"7243080","10.8226","0.0009","13.7338","0.0008","9.9166","0.0009","90","","106.482","0.009","90","","1413.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrofuran-2,3,4,5-tetracarboxylic acid + 2-aminopyrimidine","Tetrahydrofuran-2,3,4,5-tetracarboxylic acid + 2-aminopyrimidine","","- C12 H13 N3 O9 -","- C12 H13 N3 O9 -","- C48 H52 N12 O36 -","4","1","","Garg, Utsav; Azim, Yasser; Alam, Mahboob","In acid-aminopyrimidine continuum: experimental and computational studies of furan tetracarboxylate-2-aminopyrimidinium salt","RSC Advances","2021","11","35","21463","21474","10.1039/D1RA01714D","","","1.54184","CuKα","","0.0592","0.0445","","","0.1091","0.123","","","","","","1.087","","","","has coordinates","266554","2021-06-18","04:14:26",""
"7243081","17.8183","0.0011","23.7713","0.0015","9.3271","0.0006","90","","90","","90","","3950.6","0.4","273","2","273","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","MPMB1","","","- C33 H50 Cl4 Fe2 N8 O3 -","- C34 H56 Cl4 Fe2 N8 O5 -","- C136 H224 Cl16 Fe8 N32 O20 -","4","0.5","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation","RSC Advances","2021","11","35","21514","21526","10.1039/D1RA03135J","","","0.71073","MoKα","","0.0824","0.0752","","","0.1997","0.2071","","","","","","1.115","","","","has coordinates","266555","2021-06-18","04:15:10",""
"7243082","17.8072","0.0005","15.7838","0.0005","17.8744","0.0005","90","","116.311","0.001","90","","4503.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MPMB5","","","- C28 H63 Cl4 Fe2 N12 O -","- C28 H56 Cl4 Fe2 N12 O6 -","- C112 H224 Cl16 Fe8 N48 O24 -","4","1","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation","RSC Advances","2021","11","35","21514","21526","10.1039/D1RA03135J","","","0.71073","MoKα","","0.1379","0.1073","","","0.3411","0.3744","","","","","","1.467","","","","has coordinates","266555","2021-06-18","04:15:10",""
"7243083","6.0837","0.0005","15.6412","0.0017","13.3288","0.0013","90","","98.927","0.006","90","","1253","0.2","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Ge N2 O4 -","- C32 H20 Ge N2 O4 -","- C64 H40 Ge2 N4 O8 -","2","1","","Shangin, Pavel G.; Krylova, Irina V.; Lalov, Andrey V.; Kozmenkova, Anna Y.; Saverina, Evgeniya A.; Buikin, Petr A.; Korlyukov, Alexander A.; Starikova, Alyona A.; Nikolaevskaya, Elena N.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Supramolecular D⋯A-layered structures based on germanium complexes with 2,3-dihydroxynaphthalene and N,N′-bidentate ligands","RSC Advances","2021","11","35","21527","21536","10.1039/D1RA02691G","","","0.71073","MoKα","","0.0898","0.0786","","","0.1812","0.187","","","","","","1.078","","","","has coordinates","266556","2021-06-18","04:15:43",""
"7243084","11.443","0.003","25.579","0.005","5.1731","0.0009","90","","90","","90","","1514.2","0.6","296.15","","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C56 H52 N12 O16 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.116","0.0693","","","0.1567","0.1811","","","","","","1.0407","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243085","11.54","0.005","5.32","0.002","22.8","0.011","90","","100.001","0.012","90","","1378.5","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S -","- C14 H14 N2 O2 S -","- C56 H56 N8 O8 S4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0774","0.0481","","","0.1044","0.1154","","","","","","1.0617","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243086","5.6676","0.0003","10.5227","0.0005","12.1824","0.0006","93.86","0.002","94.947","0.002","98.214","0.002","714.07","0.06","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C28 H26 N6 O8 S2 -","2","1","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0358","0.0329","","","0.1056","0.1106","","","","","","0.9873","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243087","20.0412","0.0009","10.228","0.0005","15.0199","0.0007","90","","102.816","0.003","90","","3002.1","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O4 S -","- C14 H13 N3 O4 S -","- C112 H104 N24 O32 S8 -","8","2","","Hazarika, Pragyan J.; Gupta, Poonam; Gunnam, Anilkumar; Allu, Suryanarayana; Nangia, Ashwini K.; Nath, Naba K.","Photomechanical response of sulfonylhydrazone molecular crystals","CrystEngComm","2021","23","28","4910","4916","10.1039/D1CE00478F","","","0.71073","MoKα","","0.0788","0.048","","","0.0999","0.1133","","","","","","1.0714","","","","has coordinates","268637","2021-09-06","10:21:20",""
"7243088","11.9297","0.001","12.924","0.0009","13.666","0.002","75.136","0.009","78.644","0.01","89.902","0.006","1994","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H55 N4 O2 -","- C48 H55 N4 O2 -","- C96 H110 N8 O4 -","2","1","","Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai","Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage","Green Chemistry","2021","23","15","5535","5541","10.1039/D1GC00941A","","","1.54184","CuKα","","0.1753","0.1157","","","0.2884","0.3647","","","","","","1.071","","","","has coordinates","268826","2021-09-06","11:48:12",""
"7243089","34.3408","0.0011","34.3408","0.0011","10.4316","0.0003","90","","90","","120","","10653.7","0.6","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C25 H34 N2 O2 -","- C25 H34 N2 O2 -","- C450 H612 N36 O36 -","18","1","","Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai","Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage","Green Chemistry","2021","23","15","5535","5541","10.1039/D1GC00941A","","","1.54184","CuKα","","0.1047","0.0732","","","0.2217","0.2539","","","","","","1.048","","","","has coordinates,has disorder","268826","2021-09-06","11:48:12",""
"7243090","15.3242","0.0006","13.8242","0.0005","9.0303","0.0004","90","","104.165","0.004","90","","1854.86","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cl N2 O -","- C21 H25 Cl N2 O -","- C84 H100 Cl4 N8 O4 -","4","1","","Hu, Fangzhi; Wang, Liang; Ge, Chunyan; Li, Xinyao; Ding, Zhanshuai; Xu, Lubin; Li, Shuai-Shuai","Divergent α-functionalization of cyclic amines via ring construction by molecular O2 oxidized dearomatization and ring deconstruction by aromatization-driven C‒C σ-bond cleavage","Green Chemistry","2021","23","15","5535","5541","10.1039/D1GC00941A","","","1.54184","CuKα","","0.0502","0.0407","","","0.1046","0.1108","","","","","","1.057","","","","has coordinates","268826","2021-09-06","11:48:12",""
"7243091","11.3246","0.0003","11.0147","0.0003","9.1513","0.0003","90","","90","","90","","1141.51","0.06","100","0.1","100","0.1","","","","","","","","4","A e a 2","A 2 -2ab","41","","Ammonium pentaborate","","- B5 H12 N O12 -","- B5 H12 N O12 -","- B20 H48 N4 O48 -","4","0.5","","Kusy, Rafał; Grela, Karol","Ligand-free (Z)-selective transfer semihydrogenation of alkynes catalyzed by in situ generated oxidizable copper nanoparticles","Green Chemistry","2021","23","15","5494","5502","10.1039/D1GC01206A","","","0.71073","MoKα","","0.0314","0.0297","","","0.0748","0.0764","","","","","","1.092","","","","has coordinates","268827","2021-09-06","11:48:18",""
"7243092","7.4642","0.0001","11.1508","0.0002","11.6693","0.0002","92.468","0.001","98.297","0.001","99.779","0.001","944.85","0.03","293","14","293","14","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O2 S2 -","- C21 H17 N3 O2 S2 -","- C42 H34 N6 O4 S4 -","2","1","","Cao, Xian-Ting; Wei, Su-Ning; Sun, Hao-Tian; Li, Meng; Zheng, Zuo-Ling; Wang, Guannan","Iridium-catalyzed regioselective C‒H sulfonamidation of 1,2,4-thiadiazoles with sulfonyl azides in water","RSC Advances","2021","11","36","22000","22004","10.1039/D1RA04450H","","x-ray","1.54184","CuKα","","0.052","0.0464","","","0.1285","0.133","","","","","","1.037","","","","has coordinates","266632","2021-06-23","04:04:32",""
"7243093","10.1573","0.001","12.9967","0.0012","17.941","0.0017","106.658","0.003","94.168","0.003","92.148","0.003","2258.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Co2 N14 O14 -","- C48 H30 Co2 N14 O14 -","- C96 H60 Co4 N28 O28 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.1019","0.0511","","","0.0859","0.1014","","","","","","1.021","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243094","6.0668","0.0004","25.6268","0.0015","19.263","0.0012","90","","93.306","0.002","90","","2989.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cd N6 O9 S -","- C30 H24 Cd N6 O9 S -","- C120 H96 Cd4 N24 O36 S4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0546","0.045","","","0.0976","0.1011","","","","","","1.202","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243095","10.2125","0.0013","11.4153","0.0015","15.21","0.002","95.508","0.004","102.091","0.004","104.351","0.003","1659.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.25 H27.25 N6.25 O8.25 Zn -","- C31.25 H25.25 N6.25 O8.25 Zn -","- C62.5 H50.5 N12.5 O16.5 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.092","0.0643","","","0.1746","0.1989","","","","","","1.005","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243096","27.066","0.007","8","0.002","23.551","0.005","90","","109.498","0.007","90","","4807","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N6 O6 -","- C24 H24 Cd N6 O6 -","- C192 H192 Cd8 N48 O48 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0295","0.0253","","","0.0571","0.0591","","","","","","1.072","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243097","16.038","0.007","8.955","0.004","17.558","0.007","90","","111.217","0.011","90","","2350.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N7 O6 Zn -","- C25 H17 N7 O6 Zn -","- C100 H68 N28 O24 Zn4 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0856","0.0509","","","0.0906","0.1019","","","","","","1.042","","","","has coordinates,has disorder","268668","2021-09-06","10:28:20",""
"7243098","7.2333","0.0005","9.681","0.0007","17.5939","0.0012","98.331","0.002","98.781","0.002","103.468","0.002","1163.04","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 N7 O8 Zn -","- C24 H17 N7 O8 Zn -","- C48 H34 N14 O16 Zn2 -","2","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0489","0.0368","","","0.0893","0.0962","","","","","","1.034","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243099","7.8677","0.0011","25.794","0.004","16.371","0.003","90","","95.172","0.004","90","","3308.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cd2 N6 O10 -","- C34 H26 Cd2 N6 O10 -","- C136 H104 Cd8 N24 O40 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tseng, Kuo-Yang; Hong, Yu-Xian; Huang, Guang-Cheng","Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2021","23","31","5293","5305","10.1039/D1CE00780G","","","0.71073","MoKα","","0.0216","0.0184","","","0.0433","0.0448","","","","","","1.044","","","","has coordinates","268668","2021-09-06","10:28:20",""
"7243100","12.243","0.003","12.243","0.003","12.243","0.003","90","","90","","90","","1835.1","0.8","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- B12 H13 K O25 -","- B12 H12.9996 K O25 -","- B48 H51.9984 K4 O100 -","4","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0578","0.0502","","","0.135","0.1405","","","","","","1.068","","","","has coordinates,has disorder","268664","2021-09-06","10:27:31",""
"7243101","7.027","0.002","8.039","0.002","11.442","0.004","108.567","0.01","93.633","0.011","90.442","0.011","611.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- B6 Cs Ga H3 Na O13 -","- B6 Cs Ga H3 Na O13 -","- B12 Cs2 Ga2 H6 Na2 O26 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.069","0.0439","","","0.0898","0.1","","","","","","1.027","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243102","6.686","0.005","8.082","0.006","10.485","0.008","90","","97.192","0.018","90","","562.1","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H10 B5 Ga N2 O10 -","- C2 H10 B5 Ga N2 O10 -","- C4 H20 B10 Ga2 N4 O20 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates","CrystEngComm","2021","23","30","5200","5207","10.1039/D1CE00719J","","","0.71073","MoKα","","0.0677","0.0554","","","0.1212","0.1299","","","","","","1.054","","","","has coordinates","268664","2021-09-06","10:27:31",""
"7243103","11.9101","0.0005","14.8958","0.0006","16.5644","0.0007","106.243","0.001","109.77","0.001","96.022","0.001","2589.55","0.19","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H44 N8 O14 S2 Zn2 -","- C52 H44 N8 O14 S2 Zn2 -","- C104 H88 N16 O28 S4 Zn4 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","","0.71073","MoKα","","0.0686","0.0419","","","0.0963","0.1077","","","","","","1.018","","","","has coordinates,has disorder","268644","2021-09-06","10:23:12",""
"7243104","10.0385","0.001","11.1557","0.0012","12.4792","0.0013","79.339","0.002","80.212","0.002","68.539","0.002","1270.1","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 N4 O6 S Zn -","- C27 H22 N4 O6 S Zn -","- C54 H44 N8 O12 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0597","0.0409","","","0.0948","0.103","","","","","","1.021","","","","has coordinates,has disorder","268644","2021-09-06","10:23:13",""
"7243105","9.8851","0.0008","10.896","0.0008","12.2041","0.001","82.082","0.002","80.528","0.002","68.643","0.002","1203.18","0.17","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 N4 O7 S Zn -","- C26 H20 N4 O7 S Zn -","- C52 H40 N8 O14 S2 Zn2 -","2","1","","Wang, Xiuli; Ma, Jianxin; Xu, Na; Wang, Yue; Sun, Jiayu; Liu, Guocheng","Three Zn(ii) coordination polymers constructed with a new amide-thiophene-derived bis-pyridyl ligand as ultrasensitive luminescent sensors for Hg(ii) and purines","CrystEngComm","2021","23","27","4760","4766","10.1039/D1CE00527H","","x-ray","0.71073","MoKα","K-L~3~","0.0665","0.0406","","","0.0746","0.0842","","","","","","1.004","","","","has coordinates","268644","2021-09-06","10:23:13",""
"7243106","7.2917","0.0001","10.6849","0.0001","17.7929","0.0002","90","","90","","90","","1386.26","0.03","150.5","0.7","150.5","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nickel bisdimetylaminopropanoto","","- C12 H28 N2 Ni O2 -","- C12 H28 N2 Ni O2 -","- C48 H112 N8 Ni4 O8 -","4","0.5","","Wilson, Rachel L.; Macdonald, Thomas J.; Lin, Chieh-Ting; Xu, Shengda; Taylor, Alaric; Knapp, Caroline E.; Guldin, Stefan; McLachlan, Martyn A.; Carmalt, Claire J.; Blackman, Chris S.","Chemical vapour deposition (CVD) of nickel oxide using the novel nickel dialkylaminoalkoxide precursor [Ni(dmamp′)2] (dmamp′ = 2-dimethylamino-2-methyl-1-propanolate)","RSC Advances","2021","11","36","22199","22205","10.1039/D1RA03263A","","x-ray","1.54184","CuKα","","0.0224","0.0209","","","0.0566","0.0582","","","","","","1.094","","","","has coordinates","266662","2021-06-24","04:13:10",""
"7243107","12.2116","0.0014","14.5632","0.0016","14.5319","0.0017","67.762","0.009","86.941","0.009","84.111","0.009","2379.2","0.5","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C86 H144 N18 O19 -","- C86 H144 N18 O19 -","- C86 H144 N18 O19 -","1","1","","Köhler, Linda; Hübler, Conrad; Seichter, Wilhelm; Mazik, Monika","Binding modes of methyl α-d-glucopyranoside to an artificial receptor in crystalline complexes","RSC Advances","2021","11","36","22221","22229","10.1039/D1RA03390E","","","0.71073","MoKα","","0.059","0.0536","","","0.1476","0.1553","","","","","","1.068","","","","has coordinates,has disorder","266674","2021-06-25","04:00:41",""
"7243108","8.3552","0.0009","8.5782","0.0011","6.6959","0.0007","90","","90","","90","","479.91","0.09","300","2","300","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","(2,,6-dimethylpyrazine)CuBr2","","- C6 H8 Br2 Cu N2 -","- C6 H8 Br2 Cu N2 -","- C12 H16 Br4 Cu2 N4 -","2","0.25","","Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying","Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2","RSC Advances","2021","11","37","22565","22570","10.1039/D1RA02318G","","","0.71073","MoKα","","0.0992","0.0395","","","0.0795","0.1028","","","","","","1.023","","","","has coordinates","266713","2021-06-26","05:04:04",""
"7243109","10.2576","0.0005","8.3613","0.0005","11.2178","0.0005","90","","102.982","0.002","90","","937.52","0.08","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Br2 Cu N2 -","- C6 H8 Br2 Cu N2 -","- C24 H32 Br8 Cu4 N8 -","4","1","","Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying","Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2","RSC Advances","2021","11","37","22565","22570","10.1039/D1RA02318G","","","0.71073","MoKα","","0.1208","0.0551","","","0.134","0.1689","","","","","","1.051","","","","has coordinates","266713","2021-06-26","05:04:05",""
"7243110","7.4211","0.0004","6.5606","0.0004","5.1633","0.0003","83.817","0.002","110.727","0.002","123.412","0.002","195.03","0.02","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","- Bi2 Ni2 O10 P2 -","1","0.5","","Colmont, Marie; Zadoya, Anastasiya; Darie, Céline; Domingos, Cyril; Leclercq, Bastien; Mentré, Olivier","Direct Bi3±-Bi3+ contacts mediated by lone pairs in the HP-BiNiO(PO4) polymorph","CrystEngComm","2021","23","29","5124","5130","10.1039/D1CE00802A","powder diffraction","x-ray","1.54187","CuKα","","0.0383","0.0383","","0.0483","0.0483","","","","3.53","","","","","","","has coordinates","268631","2021-09-06","10:18:36",""
"7243111","9.4495","0.0003","11.2688","0.0003","18.2721","0.0006","73.315","0.001","82.268","0.001","74.353","0.001","1791.27","0.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl N2 -","- C47 H33 Cl N2 -","- C94 H66 Cl2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.0603","0.0511","","","0.1242","0.1303","","","","","","1.046","","","","has coordinates","268670","2021-09-06","10:28:44",""
"7243112","9.397","0.0014","10.5684","0.0015","19.829","0.003","100.913","0.003","91.886","0.004","113.365","0.003","1762.3","0.5","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C47 H34 N2 -","- C47 H34 N2 -","- C94 H68 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.2186","0.0801","","","0.1794","0.2475","","","","","","0.967","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243113","9.3263","0.001","10.8791","0.0012","19.822","0.002","98.441","0.004","94.465","0.003","114.358","0.003","1790.8","0.3","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 F N2 -","- C47 H33 F N2 -","- C94 H66 F2 N4 -","2","1","","Nagarasu, Palaniyappan; Kundu, Anu; Thiruvenkatam, Vijay; Raghavaiah, Pallepogu; Anthony, Savarimuthu Philip; Madhu, Vedichi","Investigating the structure‒fluorescence properties of tetraphenylethylene fused imidazole AIEgens: reversible mechanofluorochromism and polymer matrix controlled fluorescence tuning","CrystEngComm","2021","23","31","5403","5410","10.1039/D1CE00561H","","","0.71073","MoKα","","0.172","0.1461","","","0.4138","0.4278","","","","","","1.085","","","","has coordinates","268670","2021-09-06","10:28:54",""
"7243114","29.6992","0.0015","14.6641","0.0004","25.7385","0.0009","90","","108.808","0.005","90","","10610.9","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C71 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0456","0.0383","","","0.087","0.0912","","","","","","0.989","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243115","29.771","0.006","14.658","0.003","25.708","0.005","90","","108.927","0.004","90","","10612","4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C72 H72 Cd7 N12 O49 -","- C72 H72 Cd7 N12 O49 -","- C288 H288 Cd28 N48 O196 -","4","1","","Li, Yang; Chen, Shumei; Xu, Zhong-Xuan; Wu, Xin; Zhang, Huabin; Zhang, Jian","Asymmetric metal‒organic frameworks with double helices for enantioselective recognition","CrystEngComm","2021","23","27","4748","4751","10.1039/D1CE00630D","","","0.71073","MoKα","","0.0574","0.0556","","","0.1535","0.1581","","","","","","1.033","","","","has coordinates","268642","2021-09-06","10:22:52",""
"7243116","21.53","0.02","10.926","0.01","18.35","0.016","90","","90","","90","","4317","7","296","","296","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","0.71073","MoKα","","0.1948","0.0717","","","0.1495","0.1953","","","","","","0.979","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243117","21.3258","0.0011","10.8147","0.0003","17.9497","0.0008","90","","90","","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H26 F9 N4 O6 Y -","- C44 H26 F9 N4 O6 Y -","- C176 H104 F36 N16 O24 Y4 -","4","1","","Cen, Peipei; He, Zixin; Ding, Runmei; Yang, Huifang; Li, Li; Zhang, Yi-Quan; Li, Yonghong; Tian, Danian; Liu, Xiangyu","Modulating the slow magnetic relaxation of a mononuclear Dy(iii) single-molecule magnet via a magnetic field and dilution effects","CrystEngComm","2021","23","32","5443","5450","10.1039/D1CE00682G","","","1.54184","CuKα","","0.0897","0.0741","","","0.1861","0.2034","","","","","","1.056","","","","has coordinates,has disorder","268654","2021-09-06","10:25:33",""
"7243118","8.5547","0.0003","9.8407","0.0004","10.2731","0.0004","113.733","0.001","99.453","0.002","92.307","0.002","775.51","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Cu2 N4 O8 -","- C32 H36 Cu2 N4 O8 -","- C32 H36 Cu2 N4 O8 -","1","0.5","","Mukherjee, Debojyoti; Nag, Probal; Shteinman, Albert A.; Vennapusa, Sivaranjana Reddy; Mandal, Ujjwal; Mitra, Mainak","Catechol oxidation promoted by bridging phenoxo moieties in a bis(μ-phenoxo)-bridged dicopper(ii) complex","RSC Advances","2021","11","37","22951","22959","10.1039/D1RA02787E","","","0.71073","MoKα","","0.0259","0.0251","","","0.0655","0.0661","","","","","","1.045","","","","has coordinates","266800","2021-06-30","04:23:25",""
"7243119","5.4771","0.0002","9.0324","0.0004","31.6646","0.0014","90","","90","","90","","1566.49","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 I O2 S -","- C16 H15 I O2 S -","- C64 H60 I4 O8 S4 -","4","1","","Lin, Li; Yang, Zhonglie; Liu, Jianchen; Wang, Jingxia; Zheng, Jiale; Li, Jun-Long; Zhang, Xiaobin; Liu, Xiang-Wei; Jiang, Hezhong; Li, Jiahong","Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature","Green Chemistry","2021","23","15","5467","5473","10.1039/D1GC00956G","","","0.71073","MoKα","","0.0152","0.0149","","","0.0346","0.0348","","","","","","1.088","","","","has coordinates","268828","2021-09-06","11:48:23",""
"7243120","16.831","0.002","23.697","0.005","14.715","0.003","90","","92.577","0.008","90","","5863.1","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H53 Cl N4 Ni4 O12 -","- C60 H53 Cl N4 Ni4 O12 -","- C240 H212 Cl4 N16 Ni16 O48 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.1593","0.063","","","0.1295","0.1622","","","","","","0.932","","","","has coordinates","266839","2021-07-01","04:22:25",""
"7243121","11.421","0.003","15.783","0.004","7.4458","0.0016","90","","93.411","0.006","90","","1339.8","0.6","297.49","","297.49","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.1139","0.0807","","","0.1796","0.2098","","","","","","1.186","","","","has coordinates","266839","2021-07-01","04:22:26",""
"7243122","14.07","0.007","14.216","0.008","19.039","0.011","76.64","0.03","68.85","0.02","63.449","0.018","3166","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H65 Cl2 N5 Ni4 O14 -","- C64 H61 Cl2 N5 Ni4 O14 -","- C128 H122 Cl4 N10 Ni8 O28 -","2","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.0908","0.0536","","","0.1324","0.151","","","","","","1.04","","","","has coordinates","266839","2021-07-01","04:22:26",""
"7243123","9.2258","0.0011","15.495","0.002","15.6334","0.0016","90","","90","","90","","2234.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.0492","0.04","","","0.0981","0.1043","","","","","","1.03","","","","has coordinates","266839","2021-07-01","04:22:27",""
"7243124","11.6106","0.0003","16.0508","0.0003","7.5624","0.0002","90","","104.79","0.002","90","","1362.63","0.06","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Klöpfer, Viktor; Eckl, Robert; Floß, Johannes; Roth, Philippe M. C.; Reiser, Oliver; Barham, Joshua P.","Catalyst-free, scalable heterocyclic flow photocyclopropanation","Green Chemistry","2021","23","17","6366","6372","10.1039/D1GC01624E","","x-ray","1.54184","CuKα","","0.0489","0.0461","","","0.1254","0.1274","","","","","","1.077","","","","has coordinates","268818","2021-09-06","11:46:57",""
"7243125","5.1833","0.0004","23.147","0.002","6.8285","0.0007","90","","107.681","0.01","90","","780.57","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N4 O2 -","- C8 H4 Cu N4 O2 -","- C32 H16 Cu4 N16 O8 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0496","0.0346","","","0.0749","0.0824","","","","","","1.037","","","","has coordinates","268650","2021-09-06","10:24:28",""
"7243126","6.8724","0.0004","8.5555","0.0006","10.8947","0.0007","103.025","0.005","102.889","0.005","111.241","0.006","547.97","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H8 Cl N4 O4 Zn1.5 -","- C8 H8 Cl N4 O4 Zn1.5 -","- C16 H16 Cl2 N8 O8 Zn3 -","2","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.05","0.034","","","0.0729","0.0809","","","","","","1.062","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243127","8.5821","0.001","13.578","0.0011","9.2842","0.0011","90","","116.067","0.015","90","","971.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 Ni O4 -","- C8 H7 N4 Ni O4 -","- C32 H28 N16 Ni4 O16 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71073","MoKα","","0.0425","0.0322","","","0.0712","0.0761","","","","","","1.033","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243128","13.8772","0.0007","9.5629","0.0005","7.5481","0.0004","90","","94.152","0.006","90","","999.05","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl N4 O2 Pb -","- C8 H4 Cl N4 O2 Pb -","- C32 H16 Cl4 N16 O8 Pb4 -","4","1","","Hua, Feng-Zhen; Feng, Chao; Zhang, Ling-Mei; Yang, Yu-Meng; Zhang, Guo-Ning; Wang, Yu-Cheng; Zhao, Hong","Electrochemiluminescence properties and luminescence sensing of four novel polymers derived from 3-(pyrazin-2-yl)-1H-pyrazole-5-carboxylic acid","CrystEngComm","2021","23","32","5463","5474","10.1039/D1CE00621E","","","0.71","MoKα","","0.0431","0.0315","","","0.0689","0.0755","","","","","","1.082","","","","has coordinates","268650","2021-09-06","10:24:29",""
"7243129","20.5149","0.0008","16.0901","0.0012","15.5524","0.0005","90","","90","","90","","5133.6","0.5","296.3","0.9","296.3","0.9","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H16 Co0.67 N2 O6 -","- C16 H16 Co0.666667 N2 O6 -","- C192 H192 Co8 N24 O72 -","12","0.75","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1258","0.0598","","","0.1331","0.1626","","","","","","1","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243130","17.034","0.0005","11.4043","0.0003","12.6992","0.0003","90","","90","","90","","2466.96","0.11","299","0.2","299","0.2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H22 N3 O7 Zn2 -","- C23 H22 N3 O7 Zn2 -","- C92 H88 N12 O28 Zn8 -","4","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0506","0.0309","","","0.079","0.0944","","","","","","0.852","","","","has coordinates,has disorder","268647","2021-09-06","10:23:52",""
"7243131","11.3588","0.0007","30.0187","0.001","12.2991","0.0008","90","","117.471","0.008","90","","3720.8","0.4","297.1","0.8","297.1","0.8","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C14.5 H11.5 N1.5 Ni0.75 O6.62 -","- C14.5 H11.5 N1.5 Ni0.75 O6.625 -","- C116 H92 N12 Ni6 O53 -","8","1","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.1073","0.084","","","0.247","0.2646","","","","","","1.005","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243132","20.5127","0.0006","16.0761","0.0005","15.2569","0.0005","90","","90","","90","","5031.2","0.3","298","0.1","298","0.1","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C46 H38 N6 Ni2 O18 -","- C45.9998 H38 N6 Ni2 O18 -","- C183.999 H152 N24 Ni8 O72 -","4","0.25","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.0746","0.0538","","","0.1995","0.2447","","","","","","0.99","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243133","10.4617","0.001","14.6431","0.001","12.7995","0.0009","90","","97.576","0.007","90","","1943.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Fe3 N4 O12 -","- C36 H24 Fe3 N2 O18 -","- C72 H48 Fe6 N4 O36 -","2","0.5","","Mylonas-Margaritis, Ioannis; Mayans, Júlia; Tong, Wenming; Farràs, Pau; Escuer, Albert; McArdle, Patrick; Papatriantafyllopoulou, Constantina","Synthesis and characterization of new coordination compounds by the use of 2-pyridinemethanol and di- or tricarboxylic acids","CrystEngComm","2021","23","32","5489","5497","10.1039/D1CE00659B","","","0.71073","MoKα","","0.2008","0.0745","","","0.1098","0.1552","","","","","","0.875","","","","has coordinates","268647","2021-09-06","10:23:52",""
"7243134","6.1846","0.0002","27.8403","0.0008","7.4558","0.0002","90","","109.007","0.003","90","","1213.76","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","GABA-L-tartaric acid (1:1) monohydrate","GABA-L-tartaric acid (1:1) monohydrate","","- C8 H17 N O9 -","- C8 H17 N O9 -","- C32 H68 N4 O36 -","4","2","","Losev, E. A.; Pishchur, D. P.; Boldyreva, E. V.","A new monohydrated molecular salt of GABA with l-tartaric acid: the structure-forming role of water","CrystEngComm","2021","23","35","6086","6092","10.1039/D1CE00470K","","x-ray","0.71073","MoKα","","0.0629","0.0477","","","0.0937","0.1002","","","","","","1.024","","","","has coordinates,has disorder","269687","2021-10-06","14:54:03",""
"7243135","11.388","0.003","12.621","0.003","14.493","0.004","100.52","0.005","109.121","0.005","97.132","0.005","1896.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Ag2 N7 O8.5 -","- C28 H19 Ag2 N5 O6 -","- C56 H38 Ag4 N10 O12 -","2","1","","Jiang, Wei; Lv, Mengying; Gao, Baihui; Liu, Bo; Yan, Guosong; Zhou, Shi; Liu, Chunbo; Xie, Wei; Che, Guangbo","Facile construction of an Ag0-doped Ag(i)-based coordination polymer via a self-photoreduction strategy for enhanced visible light driven photocatalysis","CrystEngComm","2021","23","31","5397","5402","10.1039/D1CE00699A","","","0.71073","MoKα","","0.1081","0.0518","","","0.1002","0.1149","","","","","","0.847","","","","has coordinates","268667","2021-09-06","10:28:07",""
"7243136","16.206","0.002","13.665","0.002","19.848","0.003","90","","105.603","0.004","90","","4233.5","1","296.15","","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C36 H64 Cu6 Mo12 N20 O62 Te2 -","- C72 H128 Cu12 Mo24 N40 O124 Te4 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0327","0.0258","","","0.0656","0.0686","","","","","","1.036","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243137","10.4645","0.0007","14.6884","0.001","13.0321","0.0009","90","","95.1","0.001","90","","1995.2","0.2","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C12 H44 Cu2 Mo6 N8 O30 Te -","- C24 H88 Cu4 Mo12 N16 O60 Te2 -","2","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0285","0.0256","","","0.0644","0.0655","","","","","","1.198","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243138","12.79","0.002","21.231","0.002","19.024","0.002","90","","97.734","0.003","90","","5118.9","1.1","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H72 Cu4 Mo16 N24 O54 -","- C52 H72 Cu4 Mo16 N24 O54 -","- C104 H144 Cu8 Mo32 N48 O108 -","2","0.25","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.117","0.0809","","","0.1632","0.1851","","","","","","1.034","","","","has coordinates,has disorder","268673","2021-09-06","10:29:30",""
"7243139","10.7719","0.0006","18.3338","0.001","12.7561","0.0007","90","","113.685","0.001","90","","2307","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Cu Mo4 N4 O15 -","- C13 H16 Cu Mo4 N4 O15 -","- C52 H64 Cu4 Mo16 N16 O60 -","4","1","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.072","0.037","","","0.0655","0.0753","","","","","","0.972","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243140","11.1044","0.0014","11.8366","0.0015","13.6033","0.0017","77.836","0.002","72.274","0.002","85.532","0.002","1664.7","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","- C26 H42 Cu5 Mo12 N12 O56 Te2 -","1","0.5","","Ying, Jun; Sun, Chenxi; Jin, Liang; Tian, Aixiang; Wang, Xiuli","Five compounds based on [TeMo6O24]6− and [β-Mo8O26]4− anions synthesized by using different symmetrical and asymmetric N-donor ligands","CrystEngComm","2021","23","31","5385","5396","10.1039/D1CE00775K","","","0.71073","MoKα","","0.0589","0.0361","","","0.0785","0.0877","","","","","","1.017","","","","has coordinates","268673","2021-09-06","10:29:30",""
"7243141","5.3383","0.0004","9.0913","0.0006","15.5717","0.001","90","","95.648","0.006","90","","752.06","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N8 -","- C16 H14 Cu N8 -","- C32 H28 Cu2 N16 -","2","0.5","","Petrenko, Yuliia P.; Piasta, Karolina; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Shova, Sergiu; Novitchi, Ghénadie; Toporivska, Yuliya; Gumienna-Kontecka, Elzbieta; Martins, Luísa M. D. R. S.; Lampeka, Rostyslav D.","An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties","RSC Advances","2021","11","38","23442","23449","10.1039/D1RA03107D","","x-ray","0.71073","MoKα","","0.0607","0.0421","","","0.0964","0.1065","","","","","","1.041","","","","has coordinates","266933","2021-07-03","04:19:28",""
"7243142","22.4328","0.0006","7.23016","0.00016","15.4337","0.0004","90","","107.996","0.003","90","","2380.77","0.11","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu2 N8 O6 -","- C20 H24 Cu2 N8 O6 -","- C80 H96 Cu8 N32 O24 -","4","0.5","","Petrenko, Yuliia P.; Piasta, Karolina; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Shova, Sergiu; Novitchi, Ghénadie; Toporivska, Yuliya; Gumienna-Kontecka, Elzbieta; Martins, Luísa M. D. R. S.; Lampeka, Rostyslav D.","An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties","RSC Advances","2021","11","38","23442","23449","10.1039/D1RA03107D","","x-ray","0.71073","MoKα","","0.0369","0.0312","","","0.0724","0.0754","","","","","","1.055","","","","has coordinates","266933","2021-07-03","04:19:29",""
"7243143","10.188","0.004","11.162","0.004","19.431","0.007","86.926","0.009","77.759","0.009","88.866","0.01","2156.2","1.4","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.55 F6 Fe N O8 P0.45 -","- C43 H54 As0.555 F6 Fe N O8 P0.445 -","- C86 H108 As1.11 F12 Fe2 N2 O16 P0.89 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1067","","","","0.3538","","","","","","1.337","","","","has coordinates","268679","2021-09-06","10:30:50",""
"7243144","10.1785","0.0005","11.0668","0.001","19.4314","0.0009","86.883","0.009","77.412","0.007","88.969","0.01","2133","0.2","113","","113","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0628","","","","0.1987","","","","","","0.954","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243145","10.204","0.002","11.089","0.003","19.442","0.004","86.955","0.006","77.616","0.004","88.875","0.006","2145.6","0.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.49 F6 Fe N O8 P0.51 -","- C43 H54 As0.488 F6 Fe N O8 P0.512 -","- C86 H108 As0.976 F12 Fe2 N2 O16 P1.024 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1134","","","","0.3708","","","","","","1.343","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243146","10.175","0.005","11.163","0.006","19.424","0.008","86.799","0.013","77.778","0.013","88.65","0.02","2152.7","1.8","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C43 H54 As0.67 F6 Fe N O8 P0.33 -","- C86 H108 As1.34 F12 Fe2 N2 O16 P0.66 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1076","","","","0.3508","","","","","","1.237","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243147","10.203","0.003","11.091","0.003","19.44","0.005","86.95","0.006","77.515","0.005","88.98","0.006","2144.8","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.92 Sb0.08 -","- C43 H54 F6 Fe N O8 P0.916 Sb0.084 -","- C86 H108 F12 Fe2 N2 O16 P1.832 Sb0.168 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.1175","","","","0.3812","","","","","","1.457","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243148","10.163","0.003","11.824","0.004","17.902","0.005","85.765","0.007","86.936","0.006","87.915","0.007","2141.2","1.1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C43 H54 F6 Fe N O8 P0.35 Sb0.65 -","- C86 H108 F12 Fe2 N2 O16 P0.7 Sb1.3 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0979","","","","0.2659","","","","","","1.06","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243149","10.194","0.003","11.112","0.003","19.439","0.005","86.85","0.006","77.726","0.006","88.805","0.007","2148.3","1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.36 F6 Fe N O8 P0.64 -","- C43 H54 As0.358 F6 Fe N O8 P0.642 -","- C86 H108 As0.716 F12 Fe2 N2 O16 P1.284 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0808","","","","0.2747","","","","","","1.056","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243150","10.171","0.0017","11.182","0.002","19.436","0.004","86.772","0.005","77.689","0.005","88.611","0.005","2156.1","0.7","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 As0.72 F6 Fe N O8 P0.28 -","- C43 H54 As0.724 F6 Fe N O8 P0.276 -","- C86 H108 As1.448 F12 Fe2 N2 O16 P0.552 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0946","","","","0.275","","","","","","1.076","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243151","10.17","0.003","11.106","0.004","19.439","0.006","86.836","0.009","77.378","0.006","88.73","0.009","2139.2","1.2","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C43 H54 F6 Fe N O8 P0.84 Sb0.16 -","- C86 H108 F12 Fe2 N2 O16 P1.68 Sb0.32 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","","0.0909","","","","0.278","","","","","","1.47","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243152","21.497","0.005","9.893","0.002","22.324","0.005","90","","116.199","0.002","90","","4259.9","1.6","93.15","","93.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C172 H216 F24 Fe4 N4 O32 P4 -","4","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.71073","MoKα","","0.1267","0.0762","","","0.1466","0.1637","","","","","","1.092","","","","has coordinates","268679","2021-09-06","10:30:53",""
"7243153","10.139","0.0018","11.679","0.002","17.971","0.003","85.655","0.004","87.434","0.004","88.542","0.005","2119.2","0.6","113.35","","113.35","","","","","","","","","8","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P0.484 Sb0.516 -","- C43 H54 F6 Fe N O8 P0.48436 Sb0.51564 -","- C86 H108 F12 Fe2 N2 O16 P0.96872 Sb1.03128 -","2","1","","Suzaki, Yuji; Fukuchi, Yugo; Tadami, Hiroko; Koizumi, Take-aki; Osakada, Kohtaro; Ide, Tomohito; Horie, Masaki; Hoshino, Norihisa; Akutagawa, Tomoyuki","Further investigations of the crystal-to-crystal phase transition of a [2]pseudorotaxane composed of ferrocene-terminated dialkylammonium and dibenzo[24]crown-8-ether","CrystEngComm","2021","23","34","5944","5952","10.1039/D1CE00457C","","","0.7107","MoKα","","0.0645","0.0548","","","0.1452","0.1637","","","","","","1.0287","","","","has coordinates,has disorder","268679","2021-09-06","10:30:53",""
"7243154","9.4922","0.0002","39.4939","0.0009","9.7199","0.0003","90","","110.321","0.001","90","","3417.05","0.15","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","- C164 H108 Co4 N28 O16 -","1","0.25","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0875","0.0535","","","0.1141","0.1346","","","","","","1.054","","","","has coordinates","268653","2021-09-06","10:25:22",""
"7243155","9.311","0.0009","10.2559","0.0009","14.891","0.0014","105.346","0.003","94.24","0.003","115.645","0.003","1206.8","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Mn N4 O5 -","- C26 H20 Mn N4 O5 -","- C52 H40 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0798","0.0517","","","0.1131","0.1402","","","","","","1.045","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243156","10.0622","0.0005","10.432","0.0005","11.9877","0.0006","67.814","0.002","71.39","0.002","68.516","0.001","1060.07","0.09","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","- C46 H36 Mn2 N6 O13 -","1","0.5","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0599","0.0402","","","0.0865","0.1018","","","","","","1.057","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243157","9.2544","0.0005","10.3343","0.0006","14.8355","0.0008","105.384","0.002","93.551","0.002","116.082","0.002","1202.28","0.12","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Mn N4 O5 -","- C27 H22 Mn N4 O5 -","- C54 H44 Mn2 N8 O10 -","2","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0826","0.0537","","","0.1211","0.143","","","","","","1.058","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243158","13.1164","0.0004","16.1174","0.0005","14.7873","0.0005","90","","109.782","0.001","90","","2941.59","0.16","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 Ni O5 -","- C23 H15 N3 Ni O5 -","- C92 H60 N12 Ni4 O20 -","4","1","","Ren, Zhu-Meng; Wang, Lu-Lu; Wang, Jin-Miao; Zhu, Bin; Gao, Qiang; Wang, Mei; Shao, Feng; Fan, Yu-Hua","Five novel MOFs with various dimensions as efficient catalysts for oxygen evolution reactions","CrystEngComm","2021","23","32","5475","5480","10.1039/D1CE00762A","","","0.71073","MoKα","","0.0914","0.0625","","","0.1566","0.1724","","","","","","1.081","","","","has coordinates","268653","2021-09-06","10:25:23",""
"7243159","6.2831","0.001","6.0046","0.001","13.003","0.002","90","","91.56","0.003","90","","490.39","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H N9 O6 -","- C4 H N9 O6 -","- C8 H2 N18 O12 -","2","1","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0788","0.0511","","","0.1071","0.1175","","","","","","0.987","","","","has coordinates","267364","2021-07-08","04:36:33",""
"7243160","4.8786","0.0008","7.9416","0.0013","22.587","0.004","90","","90","","90","","875.1","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 N9 O4 -","- C4 H3 N9 O4 -","- C16 H12 N36 O16 -","4","1","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0617","0.0415","","","0.078","0.0875","","","","","","1.029","","","","has coordinates","267364","2021-07-08","04:36:34",""
"7243161","17.283","0.008","7.552","0.002","13.411","0.006","90","","90","","90","","1750.4","1.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H2 N18 O8 -","- C8 H2 N18 O8 -","- C32 H8 N72 O32 -","4","0.5","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0636","0.0393","","","0.0835","0.0942","","","","","","1.022","","","","has coordinates","267364","2021-07-08","04:36:34",""
"7243162","9.764","0.003","11.687","0.003","15.345","0.004","106.065","0.004","91.671","0.004","102.175","0.003","1637.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O8 Zn -","- C36 H30 N4 O8 Zn -","- C72 H60 N8 O16 Zn2 -","2","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0966","0.0556","","","0.1229","0.1377","","","","","","0.993","","","","has coordinates","267365","2021-07-08","04:37:42",""
"7243163","15.9212","0.0016","11.5181","0.0011","17.0439","0.0017","90","","105.53","0.0016","90","","3011.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 N4 O8 Zn2 -","- C34 H24 N4 O8 Zn2 -","- C136 H96 N16 O32 Zn8 -","4","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0657","0.038","","","0.0945","0.1062","","","","","","0.975","","","","has coordinates","267365","2021-07-08","04:37:42",""
"7243164","10.203","0.004","11.768","0.005","14.073","0.006","86.764","0.007","80.749","0.006","77.297","0.006","1626.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N6 O8.5 Zn2 -","- C34 H25 N6 O8.5 Zn2 -","- C68 H50 N12 O17 Zn4 -","2","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0462","0.0336","","","0.0743","0.0794","","","","","","1.03","","","","has coordinates","267365","2021-07-08","04:37:42",""
"7243165","7.427","0.0003","12.0551","0.0005","13.0522","0.0005","82.543","0.001","86.438","0.001","77.641","0.001","1131.16","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N2 O7 Zn -","- C26 H18 N2 O7 Zn -","- C52 H36 N4 O14 Zn2 -","2","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0639","0.044","","","0.1053","0.1147","","","","","","1.021","","","","has coordinates,has disorder","267365","2021-07-08","04:37:42",""
"7243166","7.9376","0.0003","11.4925","0.0004","11.3612","0.0004","90","","90","","90","","1036.4","0.06","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl2 Cu O2 S2 -","- C4 H12 Cl2 Cu O2 S2 -","- C16 H48 Cl8 Cu4 O8 S8 -","4","0.5","","Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu","Crystal engineering with copper and melamine","RSC Advances","2021","11","39","23943","23947","10.1039/D1RA02903G","","x-ray","0.71073","MoKα","","0.0223","0.0199","","","0.0486","0.0495","","","","","","1.093","","","","has coordinates","267366","2021-07-08","04:38:31",""
"7243167","10.4677","0.0014","11.58","0.002","14.375","0.003","106.116","0.008","99.25","0.008","102.092","0.008","1591.8","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-u-methoxy-bis[chlorido(dimethylsulfoxide-κO) (1,3,5-triazine-2,4,6-triamine-κN1)copper(II)(Cu-Cu)]","","- C6 H15 Cl Cu N6 O2 S -","- C6 H15 Cl Cu N6 O2 S -","- C24 H60 Cl4 Cu4 N24 O8 S4 -","4","2","","Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu","Crystal engineering with copper and melamine","RSC Advances","2021","11","39","23943","23947","10.1039/D1RA02903G","","x-ray","0.71073","MoKα","","0.0617","0.0499","","","0.1299","0.1353","","","","","","1.104","","","","has coordinates,has disorder","267366","2021-07-08","04:38:31",""
"7243168","9.9904","0.0006","6.0482","0.0005","21.616","0.002","90","","101.289","0.008","90","","1280.85","0.18","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H26 N4 O7 Zn -","- C24 H26 N4 O7 Zn -","- C48 H52 N8 O14 Zn2 -","2","0.5","","Alamgir,; Talha, Khalid; Wang, Ying-Jie; Ullah, Raza; Wang, Bin; Wang, Lu; Wu, Wei; Chen, Sha; Xie, Lin-Hua; Li, Jian-Rong","Construction of a mixed ligand MOF as “green catalyst” for the photocatalytic degradation of organic dye in aqueous media","RSC Advances","2021","11","38","23838","23845","10.1039/D1RA02994K","","","1.54178","CuKα","","0.1008","0.0711","","","0.171","0.1948","","","","","","1.055","","","","has coordinates","267367","2021-07-08","04:39:06",""
"7243169","12.573","0.003","14.319","0.003","13.473","0.003","90","","113.15","0.03","90","","2230.3","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B10 N -","- C21 H25 B10 N -","- C84 H100 B40 N4 -","4","1","","Lee, Seok Ho; Mun, Min Sik; Kim, Mingi; Lee, Ji Hye; Hwang, Hyonseok; Lee, Wonchul; Lee, Kang Mun","Alteration of intramolecular electronic transition via deboronation of carbazole-based o-carboranyl compound and intriguing ‘turn-on’ emissive variation","RSC Advances","2021","11","39","24057","24064","10.1039/D1RA03716A","","","0.71073","MoKα","","0.1892","0.1115","","","0.2019","0.2326","","","","","","1","","","","has coordinates","267368","2021-07-08","04:39:27",""
"7243170","16.8488","0.0008","9.3909","0.0004","6.8017","0.0003","90","","97.788","0.005","90","","1066.28","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diaquabis(sarcosinato)cobalt(II)","","- C6 H16 Co N2 O6 -","- C6 H16 Co N2 O6 -","- C24 H64 Co4 N8 O24 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.041","0.0264","","","0.0624","0.078","","","","","","0.964","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243171","5.4524","0.0002","7.1733","0.0003","8.7708","0.0003","113.139","0.004","91.989","0.003","106.635","0.003","297.99","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycine)cobalt(ii)","","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0242","0.023","","","0.058","0.0583","","","","","","1.074","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243172","15.5085","0.0008","14.6844","0.0006","18.0637","0.0009","90","","90","","90","","4113.7","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(μ-hydroxo)tetrakis(sarcosinato)dicobalt(iii)","","- C12 H30 Co2 N4 O12 -","- C12 H30 Co2 N4 O12 -","- C96 H240 Co16 N32 O96 -","8","1","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0697","0.0424","","","0.0814","0.0909","","","","","","1.024","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243173","11.5413","0.0006","11.2713","0.0005","5.8447","0.0002","90","","93.037","0.004","90","","759.24","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaquabis(N-propylglycinato)copper(ii)","","- C10 H24 Cu N2 O6 -","- C10 H24 Cu N2 O6 -","- C20 H48 Cu2 N4 O12 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0369","0.0298","","","0.0783","0.0835","","","","","","1.068","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243174","5.4231","0.0003","7.1382","0.0004","8.7608","0.0004","113.806","0.005","91.508","0.004","106.771","0.005","293.11","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycinato)nickel(ii)","","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0179","0.0175","","","0.0428","0.043","","","","","","1.092","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243175","9.3725","0.0004","7.3714","0.0004","21.2849","0.0007","90","","90.496","0.003","90","","1470.49","0.11","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","diaquabis(N-propylglycinato)copper(ii)","","- C10 H24 Cu N2 O6 -","- C10 H24 Cu N2 O6 -","- C40 H96 Cu4 N8 O24 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0538","0.0379","","","0.0755","0.0809","","","","","","1.074","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243176","10.4296","0.0013","7.2609","0.0009","10.0987","0.001","90","","107.734","0.013","90","","728.42","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaquabis(N-propylglycinato)cobalt(ii)","","- C10 H24 Co N2 O6 -","- C10 H24 Co N2 O6 -","- C20 H48 Co2 N4 O12 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0707","0.0379","","","0.0762","0.0823","","","","","","0.863","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243177","5.4717","0.0003","7.1941","0.0004","8.8468","0.0004","113.095","0.004","92.008","0.004","106.385","0.005","303.11","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycine)cobalt(ii)","","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","1.54184","CuKα","","0.0484","0.0484","","","0.1261","0.1261","","","","","","1.058","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243178","5.44882","0.00008","7.15455","0.0001","8.83552","0.00011","113.692","0.0012","91.6006","0.0011","106.561","0.0012","298.32","0.008","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycinato)nickel(ii)","","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","1.54184","CuKα","","0.0223","0.0221","","","0.0597","0.0599","","","","","","1.109","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243179","10.0467","0.0008","6.3568","0.0005","9.0286","0.0009","90","","114.398","0.01","90","","525.12","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-[bis(μ-N-ethylglycinato)copper(ii)]","","- C8 H16 Cu N2 O4 -","- C8 H16 Cu N2 O4 -","- C16 H32 Cu2 N4 O8 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0329","0.0277","","","0.068","0.0703","","","","","","1.055","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243180","7.0311","0.001","7.4825","0.0011","10.6021","0.001","78.541","0.01","89.938","0.01","78.408","0.013","535.07","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(sarcosinato)copper(II)","","- C6 H16 Cu N2 O6 -","- C6 H16 Cu N2 O6 -","- C12 H32 Cu2 N4 O12 -","2","1","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0332","0.0292","","","0.0792","0.0825","","","","","","1.086","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243181","7.9367","0.0001","5.9953","0.0001","9.0214","0.0002","90","","90.522","0.002","90","","429.247","0.013","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-[bis(μ-N-sarcosinato)copper(ii)]","catena-[bis(μ-N-methylglycinato)copper(ii)]","","- C6 H12 Cu N2 O4 -","- C6 H12 Cu N2 O4 -","- C12 H24 Cu2 N4 O8 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","1.54184","CuKα","","0.0313","0.0303","","","0.0897","0.0907","","","","","","1.089","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243182","9.1218","0.0004","17.4862","0.0008","9.4704","0.0004","90","","91.7907","0.0017","90","","1509.84","0.11","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Cerium Thiophosphate","","- Ce Na0.5 P2 Rb2.5 S8 -","- Ce Na0.499 P2 Rb2.501 S8 -","- Ce4 Na1.996 P8 Rb10.004 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0837","0.0563","","","0.1174","0.1267","","","","","","1.129","","","","has coordinates","268665","2021-09-06","10:27:44",""
"7243183","9.057","0.0003","17.3059","0.0006","9.4252","0.0003","90","","91.8396","0.0013","90","","1476.54","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Rubidium Sodium Praseodymium Thiophosphate","","- Na0.55 P2 Pr Rb2.45 S8 -","- Na0.551 P2 Pr Rb2.449 S8 -","- Na2.204 P8 Pr4 Rb9.796 S32 -","4","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0422","0.0297","","","0.0471","0.0503","","","","","","1.093","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243184","9.8512","0.0006","6.753","0.0004","11.4321","0.0007","90","","90.241","0.002","90","","760.52","0.08","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Cerium Thiophosphate","","- Ce P2 Rb3 S8 -","- Ce P2 Rb3 S8 -","- Ce2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0302","0.0262","","","0.0503","0.0515","","","","","","1.157","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243185","17.3308","0.0004","6.6787","0.0002","6.4347","0.0001","90","","90","","90","","744.8","0.03","301","2","301","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Eu P Rb S4 -","- Eu P Rb S4 -","- Eu4 P4 Rb4 S16 -","4","0.5","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0263","0.0247","","","0.0638","0.0647","","","","","","1.171","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243186","9.9053","0.0009","6.7376","0.0006","11.4553","0.001","90","","90.005","0.003","90","","764.5","0.12","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Lanthanum Thiophosphate","","- La P2 Rb3 S8 -","- La P2 Rb3 S8 -","- La2 P4 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0541","0.0493","","","0.0951","0.0983","","","","","","1.099","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243187","9.8265","0.0003","6.7613","0.0002","11.4228","0.0004","90","","90.2997","0.0012","90","","758.92","0.04","301","2","301","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Rubidium Praseodymium Thiophosphate","","- P2 Pr Rb3 S8 -","- P2 Pr Rb3 S8 -","- P4 Pr2 Rb6 S16 -","2","1","","Breton, Logan S.; Smith, Mark D.; zur Loye, Hans-Conrad","Trends in rare earth thiophosphate syntheses: Rb3Ln(PS4)2 (Ln = La, Ce, Pr), Rb3−xNaxLn(PS4)2 (Ln = Ce, Pr; x = 0.50, 0.55), and RbEuPS4 obtained by molten flux crystal growth","CrystEngComm","2021","23","30","5241","5248","10.1039/D1CE00703C","","","0.71073","MoKα","","0.0373","0.0329","","","0.0527","0.0541","","","","","","1.181","","","","has coordinates","268665","2021-09-06","10:27:45",""
"7243188","7.1682","0.0007","8.2406","0.0009","29.792","0.003","90","","92.704","0.008","90","","1757.9","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F8 N6 -","- C44 H24 F8 N6 -","- C88 H48 F16 N12 -","2","0.5","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","x-ray","0.71073","MoKα","","0.0618","0.0436","","","0.0887","0.101","","","","","","1.051","","","","has coordinates","268675","2021-09-06","10:29:49",""
"7243189","15.694","0.005","7.226","0.002","17.313","0.005","90","","95.538","0.007","90","","1954.2","1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N5 -","- C24 H14 N5 -","- C96 H56 N20 -","4","1","","Wang, Si-Si; Li, Kechang; Ma, Xiaohui; Xue, Pengchong","Acceptor-regulated luminescence in carbazole-based charge transfer complexes","CrystEngComm","2021","23","31","5314","5320","10.1039/D1CE00656H","","","0.71073","MoKα","","0.0887","0.0477","","","0.1191","0.1441","","","","","","1.066","","","","has coordinates","268675","2021-09-06","10:29:50",""
"7243190","10.2153","0.0008","14.5679","0.0011","16.0551","0.0012","107.972","0.008","104.609","0.007","106.675","0.008","2019.1","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N6 O6 S2 -","- C42 H48 N6 O6 S2 -","- C84 H96 N12 O12 S4 -","2","1","","Takeda, Takashi; Kasahara, Yotaro; Akutagawa, Tomoyuki","Color-tunable arylaminoanthraquinone dyes through hydrogen-bond-assisted charge transfer interaction","RSC Advances","2021","11","39","24217","24231","10.1039/D1RA03985G","","","1.54187","CuKα","","0.1152","0.0657","","","0.1642","0.1858","","","","","","0.919","","","","has coordinates","267454","2021-07-10","04:00:48",""
"7243191","12.883","0.0007","8.8827","0.0004","9.6095","0.0005","90","","110.352","0.008","90","","1031.02","0.1","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","[(E)-2-(1-hexyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine]palladium dichloride","","- C19 H22 Cl2 N6 Pd -","- C19 H22 Cl2 N6 Pd -","- C38 H44 Cl4 N12 Pd2 -","2","1","","Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor","A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction","RSC Advances","2021","11","38","23419","23429","10.1039/D1RA03838A","","","0.71075","MoKα","","0.0184","0.0183","","","0.0374","0.0375","","","","","","1.11","","","","has coordinates","267455","2021-07-10","04:01:20",""
"7243192","5.8998","0.0002","9.3629","0.0003","15.9508","0.0006","73.354","0.005","81.87","0.006","81.835","0.006","830.9","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","(E)-2-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","1","","Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor","A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction","RSC Advances","2021","11","38","23419","23429","10.1039/D1RA03838A","","","1.54187","CuKα","","0.0484","0.0432","","","0.1054","0.1081","","","","","","1.105","","","","has coordinates","267455","2021-07-10","04:01:21",""
"7243193","7.938","0.0002","13.3534","0.0002","14.1943","0.0002","112.959","0.002","92.287","0.002","96.766","0.001","1369.67","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O5 S -","- C30 H32 N4 O5 S -","- C60 H64 N8 O10 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0536","0.0517","","","0.1416","0.1438","","","","","","1.09","","","","has coordinates","268652","2021-09-06","10:24:43",""
"7243194","7.8512","0.0001","13.6163","0.0002","14.6035","0.0002","62.989","0.001","82.242","0.001","79.912","0.001","1366.64","0.03","275","4","275","4","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C62 H52 N8 O6 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0606","0.0573","","","0.1629","0.1673","","","","","","1.084","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243195","8.1582","0.0003","13.1348","0.0004","13.1911","0.0004","102.579","0.003","105.605","0.003","93.678","0.003","1317.35","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N4 O7 S -","- C28 H24 N4 O7 S -","- C56 H48 N8 O14 S2 -","2","1","","Ren, Bo-Ying; Dai, Xia-Lin; Wang, Jie; Wu, Chao; Lu, Tong-Bu; Chen, Jia-Mei","Cocrystallization of axitinib with carboxylic acids: preparation, crystal structures and dissolution behavior","CrystEngComm","2021","23","32","5504","5515","10.1039/D1CE00620G","","x-ray","1.54184","CuKα","","0.0509","0.0468","","","0.1258","0.1283","","","","","","1.074","","","","has coordinates","268652","2021-09-06","10:24:44",""
"7243196","3.6879","0.0008","11.923","0.002","9.13","0.0018","90","","97.392","0.019","90","","398.12","0.14","150","","150","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C8 H5 Cl3 O -","- C8 H5 Cl3 O -","- C16 H10 Cl6 O2 -","2","1","","Kusumoto, Sotaro; Sugimoto, Akira; Kosumi, Daisuke; Kim, Yang; Sekine, Yoshihiro; Nakamura, Masaaki; Hayami, Shinya","A plastically bendable and polar organic crystal","CrystEngComm","2021","23","33","5560","5563","10.1039/D1CE00724F","","x-ray","0.71073","MoKα","","0.0427","0.0414","","","0.1016","0.1022","","","","","","1.044","","","","has coordinates","268655","2021-09-06","10:25:45",""
"7243197","12.6981","0.0001","15.8799","0.0002","21.2754","0.0002","90","","90","","90","","4290.07","0.08","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Mo N2 O S4 -","- C17 H24 Mo N2 O S4 -","- C136 H192 Mo8 N16 O8 S32 -","8","1","","Dille, Sara A.; Colston, Kyle J.; Ratvasky, Stephen C.; Pu, Jingzhi; Basu, Partha","Interligand communication in a metal mediated LL′CT system ‒ a case study","RSC Advances","2021","11","39","24381","24386","10.1039/D1RA04716G","","","0.71073","MoKα","","0.0887","0.0406","","","0.0827","0.0998","","","","","","1.029","","","","has coordinates,has disorder","267485","2021-07-13","04:34:02",""
"7243198","15.125","0.002","11.8601","0.0016","21.373","0.003","90","","100.169","0.003","90","","3773.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H102 Cl6 O4 -","- C88 H102 Cl6 O4 -","- C176 H204 Cl12 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0882","0.0803","","","0.2208","0.2338","","","","","","1.109","","","","has coordinates,has disorder","268630","2021-09-06","10:15:02",""
"7243199","14.0848","0.0008","13.6156","0.0008","15.0281","0.0009","90","","92.682","0.002","90","","2878.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C75 H73 Cl3 O4 -","- C75 H73 Cl3 O4 -","- C150 H146 Cl6 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.066","0.0571","","","0.1669","0.1784","","","","","","1.094","","","","has coordinates,has disorder","268630","2021-09-06","10:15:03",""
"7243200","12.6452","0.0017","29.23","0.004","7.4103","0.001","90","","98.251","0.006","90","","2710.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0602","0.0529","","","0.15","0.1565","","","","","","1.038","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243201","10.238","0.0006","11.9538","0.0007","14.5269","0.0009","100.417","0.003","103.463","0.003","93.348","0.003","1691.08","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","- C78 H80 Cl8 O4 -","1","0.5","","Tominaga, Masahide; Fujimaru, Kousuke; Hyodo, Tadashi; Yamaguchi, Kentaro","Selective alkane co-inclusion by methylene- and adamantane-bridged macrocycle with biphenyl units","CrystEngComm","2021","23","30","5157","5163","10.1039/D1CE00722J","","","1.54178","CuKα","","0.0876","0.078","","","0.2327","0.2404","","","","","","1.091","","","","has coordinates","268630","2021-09-06","10:15:03",""
"7243202","7.7495","0.0002","33.5689","0.0008","39.6305","0.0009","68.5122","0.0014","88.362","0.0015","84.7067","0.0016","9551.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","M1015F18","","","- C42 H50 N4 S2 -","- C42 H50 N4 S2 -","- C420 H500 N40 S20 -","10","5","","Echeverri, Marcelo; Ruiz, Constanza; Gómez-Lor, Berta","A high contrast mechanochromic luminescent diacetylene-linked bis-benzothiadiazole derivative","CrystEngComm","2021","23","34","5925","5930","10.1039/D1CE00462J","","","0.71073","MoKα","","0.2474","0.0771","","","0.1569","0.2341","","","","","","0.955","","","","has coordinates","268691","2021-09-06","10:33:05",""
"7243203","6.2678","0.0007","13.2735","0.0014","18.564","0.002","90","","90.548","0.004","90","","1544.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O7 -","- C17 H14 O7 -","- C68 H56 O28 -","4","1","","Bhaskaran, Rasmi P.; Nayak, Kalinga H.; Babu, Beneesh P.","Synthesis of functionalized benzo[1,3]dioxin-4-ones from salicylic acid and acetylenic esters and their direct amidation","RSC Advances","2021","11","40","24570","24574","10.1039/D1RA05032J","","","0.71073","MoKα","","0.0658","0.0463","","","0.1311","0.1492","","","","","","0.974","","","","has coordinates","267578","2021-07-16","04:29:02",""
"7243204","13.0804","0.0004","18.3767","0.0005","18.76","0.0005","78.745","0.002","79.896","0.002","82.809","0.002","4334.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2-2","","- C93 H59 Cl15 N8 O3 Ru2 -","- C93 H59 Cl15 N8 O3 Ru2 -","- C186 H118 Cl30 N16 O6 Ru4 -","2","1","","Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki","Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors","RSC Advances","2021","11","40","24575","24579","10.1039/D1RA05063J","","x-ray","0.71073","MoKα","","0.1172","0.075","","","0.1764","0.1949","","","","","","1.079","","","","has coordinates,has disorder","267579","2021-07-16","04:29:35",""
"7243205","13.0869","0.0003","18.3474","0.0004","18.8229","0.0004","78.272","0.002","79.906","0.002","82.497","0.002","4335.54","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2-3","","- C93 H58 Cl15 N8 O3 Ru2 -","- C93 H58 Cl15 N8 O3 Ru2 -","- C186 H116 Cl30 N16 O6 Ru4 -","2","1","","Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki","Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors","RSC Advances","2021","11","40","24575","24579","10.1039/D1RA05063J","","x-ray","0.71073","MoKα","","0.078","0.0557","","","0.1236","0.1318","","","","","","1.038","","","","has coordinates,has disorder","267579","2021-07-16","04:29:36",""
"7243206","24.726","0.008","15.346","0.005","10.498","0.003","90","","99.982","0.01","90","","3923","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N12 O16 Sm -","- C28 H32 N12 O16 Sm -","- C112 H128 N48 O64 Sm4 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0594","0.0389","","","0.0895","0.1018","","","","","","1.069","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243207","14.496","0.003","19.771","0.004","9.9597","0.0019","90","","91.561","0.007","90","","2853.4","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O9 Sm -","- C28 H27 N2 O9 Sm -","- C112 H108 N8 O36 Sm4 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0409","0.027","","","0.0512","0.0554","","","","","","1.041","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243208","24.6726","0.0009","15.3731","0.0005","10.4434","0.0004","90","","100.17","0.001","90","","3898.9","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N12 O16 Tb -","- C28 H32 N12 O16 Tb -","- C112 H128 N48 O64 Tb4 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0569","0.044","","","0.1085","0.1233","","","","","","1.072","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243209","24.7339","0.0008","15.3481","0.0006","10.4654","0.0004","90","","100.157","0.001","90","","3910.6","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Eu N12 O16 -","- C28 H32 Eu N12 O16 -","- C112 H128 Eu4 N48 O64 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.046","","","0.0985","0.1274","","","","","","1.051","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243210","14.5239","0.0007","19.8515","0.001","9.9728","0.0004","90","","91.725","0.002","90","","2874.1","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O9 Pr -","- C28 H27 N2 O9 Pr -","- C112 H108 N8 O36 Pr4 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0303","0.0211","","","0.0468","0.05","","","","","","1.034","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243211","24.6473","0.0007","15.3972","0.0005","10.429","0.0003","90","","100.271","0.001","90","","3894.4","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Dy N12 O16 -","- C28 H32 Dy N12 O16 -","- C112 H128 Dy4 N48 O64 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0435","0.0336","","","0.0799","0.0925","","","","","","1.124","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243212","14.468","0.0005","19.7315","0.0006","9.9544","0.0003","90","","91.568","0.001","90","","2840.67","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Eu N2 O9 -","- C28 H27 Eu N2 O9 -","- C112 H108 Eu4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0346","0.0245","","","0.0485","0.0516","","","","","","1.044","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243213","24.6998","0.0008","15.3676","0.0005","10.455","0.0004","90","","100.153","0.001","90","","3906.3","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Gd N12 O16 -","- C28 H32 Gd N12 O16 -","- C112 H128 Gd4 N48 O64 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0479","0.0337","","","0.0812","0.0939","","","","","","1.115","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243214","14.447","0.0006","19.6992","0.0009","9.9464","0.0003","90","","91.522","0.001","90","","2829.69","0.19","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Gd N2 O9 -","- C28 H27 Gd N2 O9 -","- C112 H108 Gd4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0392","0.0247","","","0.0442","0.0478","","","","","","1.062","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243215","14.3923","0.0008","19.6216","0.0011","9.8933","0.0005","90","","91.287","0.002","90","","2793.2","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Er N2 O9 -","- C28 H27 Er N2 O9 -","- C112 H108 Er4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0492","0.0349","","","0.0768","0.0811","","","","","","1.136","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243216","14.4572","0.0005","19.7227","0.0007","9.944","0.0003","90","","91.468","0.001","90","","2834.45","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Dy N2 O9 -","- C28 H27 Dy N2 O9 -","- C112 H108 Dy4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0328","0.024","","","0.0552","0.0591","","","","","","1.077","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243217","14.5092","0.0004","19.8107","0.0006","9.9678","0.0003","90","","91.713","0.001","90","","2863.84","0.15","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 Nd O9 -","- C28 H27 N2 Nd O9 -","- C112 H108 N8 Nd4 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0509","0.0296","","","0.0488","0.0536","","","","","","1.034","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243218","14.434","0.0005","19.7062","0.0007","9.9308","0.0003","90","","91.434","0.001","90","","2823.83","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O9 Tb -","- C28 H27 N2 O9 Tb -","- C112 H108 N8 O36 Tb4 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0422","0.0262","","","0.0472","0.0515","","","","","","1.047","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243219","11.4293","0.0006","22.5089","0.001","22.7805","0.0011","90","","95.25","0.002","90","","5835.9","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Dy3 O18 -","- C63 H45 Dy3 O18 -","- C252 H180 Dy12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0249","0.0189","","","0.039","0.041","","","","","","1.054","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243220","11.2721","0.0003","22.5893","0.0007","23.0294","0.0006","90","","96.111","0.001","90","","5830.6","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 O6 Yb -","- C21 H15 O6 Yb -","- C252 H180 O72 Yb12 -","12","3","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0458","0.0287","","","0.0495","0.0551","","","","","","1.03","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243221","11.3816","0.0004","22.4859","0.0008","22.8587","0.0007","90","","95.305","0.001","90","","5825.1","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Er3 O18 -","- C63 H45 Er3 O18 -","- C252 H180 Er12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0491","0.0279","","","0.0468","0.0517","","","","","","1.038","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243222","11.4419","0.0004","22.5595","0.0007","22.7629","0.0008","90","","95.338","0.001","90","","5850.2","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 O18 Tb3 -","- C63 H45 O18 Tb3 -","- C252 H180 O72 Tb12 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0294","","","0.0485","0.0542","","","","","","1.031","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243223","11.3218","0.0008","22.553","0.0015","22.9222","0.0018","90","","95.884","0.003","90","","5822.1","0.7","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 O18 Tm3 -","- C63 H45 O18 Tm3 -","- C252 H180 O72 Tm12 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.05","0.0288","","","0.0467","0.0536","","","","","","1.04","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243224","11.2439","0.0014","22.591","0.002","23.111","0.003","90","","96.311","0.005","90","","5834.9","1.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Lu3 O18 -","- C63 H45 Lu3 O18 -","- C252 H180 Lu12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.037","0.0256","","","0.0504","0.0572","","","","","","1.124","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243225","11.4654","0.0004","22.6148","0.0008","22.7507","0.0008","90","","95.35","0.002","90","","5873.3","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Eu3 O18 -","- C63 H45 Eu3 O18 -","- C252 H180 Eu12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0492","0.0297","","","0.0529","0.0584","","","","","","1.04","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243226","11.4601","0.0003","22.5734","0.0004","22.7365","0.0005","90","","95.327","0.001","90","","5856.4","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Gd3 O18 -","- C63 H45 Gd3 O18 -","- C252 H180 Gd12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0365","0.0245","","","0.041","0.0446","","","","","","1.062","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243227","8.4459","0.0001","23.8241","0.0003","20.1246","0.0003","90","","91.423","0.001","90","","4048.14","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N4 O8 Zn2 -","- C44 H52 N4 O8 Zn2 -","- C176 H208 N16 O32 Zn8 -","4","1","","Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M.","New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition","RSC Advances","2021","11","40","24515","24525","10.1039/D1RA03096E","","x-ray","1.54184","CuKα","","0.0608","0.0495","","","0.1246","0.1339","","","","","","1.044","","","","has coordinates","267581","2021-07-16","04:36:42",""
"7243228","8.421","0.0017","8.749","0.0017","10.713","0.002","84.53","0.03","88.28","0.03","65.61","0.03","715.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.4 H30.8 N4 O6 Zn2 -","- C31.4 H28.2 N4 O6 Zn2 -","- C31.4 H28.2 N4 O6 Zn2 -","1","0.5","","Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M.","New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition","RSC Advances","2021","11","40","24515","24525","10.1039/D1RA03096E","","x-ray","0.7999","synchrotron","","0.0956","0.0592","","","0.1518","0.1805","","","","","","1.054","","","","has coordinates,has disorder","267581","2021-07-16","04:36:43",""
"7243229","9.7065","0.0008","18.7394","0.0015","8.5024","0.0007","90","","99.072","0.002","90","","1527.2","0.2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 -","- C17 H25 N3 -","- C68 H100 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0883","0.0396","","","0.0727","0.0817","","","","","","0.825","","","","has coordinates","267582","2021-07-16","04:37:42",""
"7243230","12.5443","0.0004","10.8032","0.0003","13.1304","0.0004","90","","90.6124","0.0019","90","","1779.31","0.09","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 N3 -","- C19 H29 N3 -","- C76 H116 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0617","0.0421","","","0.0994","0.1092","","","","","","1.055","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243231","8.1778","0.0002","10.86","0.0003","21.2146","0.0006","90","","90","","90","","1884.09","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Cl2 N3 -","- C18 H27 Cl2 N3 -","- C72 H108 Cl8 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0372","0.0298","","","0.0665","0.0692","","","","","","1.069","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243232","8.4799","0.0002","11.2725","0.0003","16.0259","0.0005","90","","90","","90","","1531.91","0.07","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl2 N3 -","- C14 H19 Cl2 N3 -","- C56 H76 Cl8 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0311","0.0269","","","0.0618","0.0638","","","","","","1.045","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243233","7.6374","0.0003","14.0781","0.0007","14.1339","0.0008","99.701","0.004","105.305","0.004","99.451","0.004","1409.59","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O17 Zn -","- C22 H34 N2 O17 Zn -","- C44 H68 N4 O34 Zn2 -","2","1","","Zhao, Guozheng; Liu, Jinjian","The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium","RSC Advances","2021","11","40","24500","24507","10.1039/D1RA02469H","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1317","0.1347","","","","","","1.07","","","","has coordinates","267583","2021-07-16","04:38:29",""
"7243234","7.6409","0.0005","14.075","0.0008","14.1402","0.0008","99.692","0.001","105.46","0.001","99.329","0.002","1410.07","0.15","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Co N2 O17 -","- C22 H34 Co N2 O17 -","- C44 H68 Co2 N4 O34 -","2","1","","Zhao, Guozheng; Liu, Jinjian","The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium","RSC Advances","2021","11","40","24500","24507","10.1039/D1RA02469H","","","0.71073","MoKα","","0.0494","0.0466","","","0.126","0.1282","","","","","","1.021","","","","has coordinates","267583","2021-07-16","04:38:29",""
"7243235","11.0944","0.0006","16.4078","0.001","20.5808","0.0012","90","","99.941","0.003","90","","3690.2","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N12 Re6 S8 -","- C18 H24 Cl2 N12 Re6 S8 -","- C72 H96 Cl8 N48 Re24 S32 -","4","1","","Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin","One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter","RSC Advances","2021","11","40","24580","24587","10.1039/D1RA04170C","","","0.71073","MoKα","","0.0566","0.0369","","","0.0705","0.0838","","","","","","1.225","","","","has coordinates,has disorder","267584","2021-07-16","04:39:00",""
"7243236","10.5488","0.0005","11.229","0.0005","19.1582","0.001","90.416","0.003","93.892","0.003","97.737","0.002","2243.18","0.19","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H80 I8 N20 O8 Pb3 Re6 S8 -","- C42 H80 I8 N20 O8 Pb3 Re6 S8 -","- C42 H80 I8 N20 O8 Pb3 Re6 S8 -","1","0.5","","Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin","One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter","RSC Advances","2021","11","40","24580","24587","10.1039/D1RA04170C","","","0.71073","MoKα","","0.0611","0.0472","","","0.1247","0.1348","","","","","","1.035","","","","has coordinates","267584","2021-07-16","04:39:03",""
"7243237","15.4376","0.0004","5.92226","0.00013","19.0732","0.0006","90","","100.548","0.003","90","","1714.31","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N3 O3 -","- C17 H20 Cl N3 O3 -","- C68 H80 Cl4 N12 O12 -","4","1","","Zhoujin, Yunping; Zhang, Mingtao; Parkin, Sean; Li, Tonglei; Yu, Faquan; Long, Sihui","A new solvate of clonixin and a comparison of the two clonixin solvates","RSC Advances","2021","11","40","24836","24842","10.1039/D1RA03623H","","x-ray","1.54184","CuKα","","0.0492","0.0405","","","0.1073","0.1155","","","","","","1.035","","","","has coordinates","267613","2021-07-17","05:38:59",""
"7243238","7.9279","0.0012","9.0455","0.0013","17.152","0.003","78.981","0.005","89.505","0.005","75.427","0.005","1167.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fac-[Re(CO)3(5Me-Sal-Trypt)]2","fac-bis{2-[(2-Indol-3-yl-ethyl)liminomethyl)]-5-methylphenolato}-hexacarbonyl-di-rhenium(I)","","- C48 H46 N4 O10 Re2 -","- C48 H46 N4 O10 Re2 -","- C48 H46 N4 O10 Re2 -","1","0.5","","Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice","Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex","RSC Advances","2021","11","39","24443","24455","10.1039/D1RA03750A","","","0.71073","MoKα","","0.0253","0.0204","","","","0.0397","","","","","","1.02","","","","has coordinates,has disorder","267614","2021-07-17","05:39:28",""
"7243239","10.506","0.0007","26.642","0.002","12.3068","0.0008","90","","106.455","0.002","90","","3303.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","fac-[Re(CO)3(5Me-Sal-Trypt)(PPh3)]","fac-Tricarbonyl-{2-[(2-Indol-3-yl-ethyl)liminomethyl)]-5-methylphenolato}-triphenylphosphine-rhenium(I)","","- C39 H32 N2 O4 P Re -","- C39 H32 N2 O4 P Re -","- C156 H128 N8 O16 P4 Re4 -","4","1","","Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice","Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex","RSC Advances","2021","11","39","24443","24455","10.1039/D1RA03750A","","","0.71073","MoKα","","0.029","0.0236","","","","0.0566","","","","","","1.066","","","","has coordinates","267614","2021-07-17","05:39:28",""
"7243240","7.2371","0.0001","6.8632","0.0001","16.2164","0.0003","90","","101.478","0.001","90","","789.35","0.02","294","2","294","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C40 H32 N8 -","2","0.5","","Ramle, Abdul Qaiyum; Fei, Chee Chin; Tiekink, Edward R. T.; Basirun, Wan Jefrey","Indoleninyl-substituted pyrimido[1,2-b]indazoles via a facile condensation reaction","RSC Advances","2021","11","40","24647","24651","10.1039/D1RA04372B","","","1.54184","CuKα","","0.0717","0.0687","","","0.1938","0.1978","","","","","","1.067","","","","has coordinates","267615","2021-07-17","05:39:51",""
"7243241","25.237","0.006","19.307","0.004","15.041","0.003","90","","107.575","0.007","90","","6987","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H29 N3 O9 Zn2 -","- C40 H24 N3 O9 Zn2 -","- C320 H192 N24 O72 Zn16 -","8","1","","Chuang, Po-Min; Wu, Jing-Yun","A highly stable Zn coordination polymer exhibiting pH-dependent fluorescence and as a visually ratiometric and on‒off fluorescent sensor","CrystEngComm","2021","23","30","5226","5240","10.1039/D1CE00705J","","","0.71073","MoKα","","0.1413","0.0992","","","0.2651","0.2911","","","","","","1.09","","","","has coordinates","268628","2021-09-06","10:12:32",""
"7243242","6.82","0.0003","8.8363","0.0003","26.14","0.0011","90","","90","","90","","1575.29","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(S)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.0536","0.0393","","","0.0738","0.0772","","","","","","0.99","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243243","9.637","0.0002","25.3851","0.0006","13.5859","0.0003","90","","90.277","0.006","90","","3323.56","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.1228","0.107","","","0.2808","0.301","","","","","","1.023","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243244","10.464","0.0006","10.4673","0.0007","29.8915","0.0016","90","","96.843","0.003","90","","3250.7","0.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-4-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(4-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.0974","0.0908","","","0.1842","0.1879","","","","","","1.136","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243245","6.7938","0.0003","8.6704","0.0003","27.7144","0.0009","90","","90","","90","","1632.52","0.11","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-(1-cyclohexylethyl)ammonium (R)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (R)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.1422","0.0931","","","0.1968","0.2515","","","","","","1.13","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243246","24.2266","0.0008","10.0661","0.0008","13.3665","0.0008","90","","92.533","0.001","90","","3256.5","0.3","119","2","119","2","","","","","","","","5","C 1 2 1","C 2y","5","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-chloromandelate","(S)-(1-cyclohexylethyl)ammonium (R,S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","2","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54178","CuKα","","0.0526","0.0468","","","0.107","0.11","","","","","","1.08","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243247","9.0572","0.0009","29.711","0.003","12.6381","0.0013","90","","93.337","0.003","90","","3395.1","0.6","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","(R)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C128 H192 Cl8 N8 O24 -","8","4","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.1934","0.0934","","","0.1687","0.2376","","","","","","1.018","","","","has coordinates,has disorder","268671","2021-09-06","10:29:12",""
"7243248","25.2017","0.0013","18.1205","0.0012","24.0709","0.001","90","","105.576","0.005","90","","10588.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H126 Fe10 N4 Na2 O41 -","- C73 H122 Fe10 N4 Na2 O41 -","- C292 H488 Fe40 N16 Na8 O164 -","4","0.5","","Podgornii, Daniel; van Leusen, Jan; Kravtsov, Victor Ch.; Kögerler, Paul; Baca, Svetlana G.","A {Na2Fe10} isobutyrate cluster, interlinked into 1D chains","CrystEngComm","2021","23","30","5153","5156","10.1039/D1CE00777G","","","0.71073","MoKα","","0.1622","0.0748","","","0.1261","0.1537","","","","","","0.99","","","","has coordinates,has disorder","268629","2021-09-06","10:12:53",""
"7243249","7.7496","0.0003","21.2931","0.0004","11.3262","0.0006","90","","96.315","0.006","90","","1857.63","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(tert-butyldimethylsilyloxy)-7-chloro-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole","","- C14 H24 B Cl O3 Si2 -","- C14 H24 B Cl O3 Si2 -","- C56 H96 B4 Cl4 O12 Si8 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0418","0.0322","","","0.0794","0.0853","","","","","","1.056","","","","has coordinates","267692","2021-07-22","05:06:35",""
"7243250","8.8909","0.0002","13.0768","0.0003","21.5996","0.0008","105.046","0.002","100.815","0.003","90.79","0.002","2376.92","0.12","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 B Cl O3 Si -","- C9 H12 B Cl O3 Si -","- C72 H96 B8 Cl8 O24 Si8 -","8","4","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0621","0.0444","","","0.1107","0.1229","","","","","","1.012","","","","has coordinates","267692","2021-07-22","05:06:36",""
"7243251","8.456","0.0006","18.7604","0.0007","9.4974","0.0013","90","","93.128","0.014","90","","1504.4","0.2","100","2","100.01","0.13","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 B Cl F N O3 Si -","- C13 H12 B Cl F N O3 Si -","- C52 H48 B4 Cl4 F4 N4 O12 Si4 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0679","0.0498","","","0.1201","0.1292","","","","","","1.08","","","","has coordinates","267692","2021-07-22","05:06:36",""
"7243252","11.1357","0.0001","7.9341","0.0001","18.6956","0.0002","90","","93.418","0.001","90","","1648.85","0.03","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","7-Chloro-6-(phenylsulfonyloxy)-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole","","- C14 H14 B Cl O5 S Si -","- C14 H14 B Cl O5 S Si -","- C56 H56 B4 Cl4 O20 S4 Si4 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0304","0.029","","","0.0821","0.0833","","","","","","1.05","","","","has coordinates","267692","2021-07-22","05:06:36",""
"7243253","15.639","0.006","7.9654","0.0006","16.704","0.011","90","","116.4","0.08","90","","1863.8","1.9","100","2","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 B4 Cl4 F12 O20 S4 Si4 -","- C60 H52 B4 Cl4 F12 O20 S4 Si4 -","- C60 H52 B4 Cl4 F12 O20 S4 Si4 -","1","0.25","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","0.71073","MoKα","","0.097","0.0574","","","0.1437","0.175","","","","","","0.957","","","","has coordinates","267692","2021-07-22","05:06:37",""
"7243254","10.1341","0.0001","12.5199","0.0002","12.6193","0.0002","90","","91.705","0.001","90","","1600.4","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-Chloro-6-benzoyloxy-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole","","- C15 H14 B Cl O4 Si -","- C15 H14 B Cl O4 Si -","- C60 H56 B4 Cl4 O16 Si4 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.032","0.029","","","0.079","0.082","","","","","","0.975","","","","has coordinates","267692","2021-07-22","05:06:37",""
"7243255","16.7599","0.0004","16.7599","0.0004","19.4746","0.0009","90","","90","","90","","5470.3","0.3","100","2","100.01","0.1","","","","","","","","8","P 42/m","-P 4c","84","","","","- C64 H72 B8 Cl8 F16 K10 O29 Si8 -","- C64 H72 B8 Cl8 F16 K10 O29 Si8 -","- C128 H144 B16 Cl16 F32 K20 O58 Si16 -","2","0.25","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.2627","0.26","","","0.469","0.4704","","","","","","1.202","","","","has coordinates,has disorder","267692","2021-07-22","05:06:37",""
"7243256","6.19278","","6.19278","","8.24802","","90","","90","","120","","273.938","","295","1","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ge1.35 Ho Pd0.65 -","- Ge1.3499 Ho Pd0.64986 -","- Ge1.3499 Ho Pd0.64986 -","1","0.0416667","","Litzbarski, Leszek S.; Klimczuk, Tomasz; Winiarski, Michał J.","Ho2Pd1.3Ge2.7 ‒ a ternary AlB2-type cluster glass system","RSC Advances","2021","11","41","25187","25193","10.1039/D1RA04422B","powder diffraction","","","CuKα","","","","","","","","","2.0879","2.54","","","","","","","has coordinates","267693","2021-07-22","05:07:29",""
"7243257","9.9671","0.0003","7.2","0.0003","14.1385","0.0006","90","","92.803","0.003","90","","1013.41","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Phe.H2O2.0.5H2O","","- C9 H14 N O4.5 -","- C9 H14 N O4.5 -","- C36 H56 N4 O18 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0529","0.0505","","","0.1285","0.1325","","","","","","1.096","","","","has coordinates","268648","2021-09-06","10:24:00",""
"7243258","11.6333","0.0003","5.9869","0.0001","28.5029","0.001","90","","90","","90","","1985.15","0.09","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","DL-Phe.H2O2","","- C9 H13 N O3.9675 -","- C9 H13 N O3.9675 -","- C72 H104 N8 O31.74 -","8","2","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0446","0.0364","","","0.0836","0.0879","","","","","","1.052","","","","has coordinates,has disorder","268648","2021-09-06","10:24:01",""
"7243259","4.7744","0.0004","7.3961","0.0007","9.8715","0.0006","90.222","0.005","90.124","0.003","101.127","0.006","342.03","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","DL-Asn.H2O2","","- C4 H10 N2 O5 -","- C4 H10 N2 O5 -","- C8 H20 N4 O10 -","2","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.043","0.0371","","","0.0865","0.0919","","","","","","1.045","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243260","5.571","0.002","9.766","0.004","11.738","0.004","90","","90","","90","","638.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asn.H2O","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0301","0.0294","","","0.0775","0.0784","","","","","","1.067","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243261","15.502","0.002","7.5316","0.0011","19.141","0.003","90","","102.593","0.004","90","","2181","0.5","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F12 H48 N10 O30 P6 Zr6 -","- F12 H48 N10 O30 P6 Zr6 -","- F24 H96 N20 O60 P12 Zr12 -","2","0.5","","Yu, Jing-Wei; Yu, Hai-Jiao; Yao, Zhi-Yuan; Li, Zi-Han; Ren, Qiu; Luo, Hong-Bin; Zou, Yang; Wang, Lifeng; Ren, Xiao-Ming","A water-stable open-framework zirconium(iv) phosphate and its water-assisted high proton conductivity","CrystEngComm","2021","23","35","6093","6097","10.1039/D1CE00852H","","","0.71073","MoKα","","0.0349","0.0315","","","0.1019","0.1046","","","","","","1.078","","","","has coordinates","269685","2021-10-06","14:53:20",""
"7243262","6.7098","0.0002","21.4689","0.0008","9.428","0.0002","90","","91.889","0.002","90","","1357.38","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu1-net]","","","- C30 H30 Cu N4 O8 -","- C30 H30 Cu N4 O8 -","- C60 H60 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.0509","0.0481","","","0.1099","0.1113","","","","","","1.303","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243263","8.6156","0.0001","11.3142","0.0001","14.8436","0.0002","90","","100.887","0.001","90","","1420.89","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Cu]n-2","","","- C30 H34 Cu N4 O8 -","- C30 H34 Cu N4 O8 -","- C60 H68 Cu2 N8 O16 -","2","0.5","","Fugu, Mohammed B.; Coley, Joe; Dickinson, Isabella F.; Orton, James B.; Klooster, Wim; Gleeson, M. Paul; Jones, Leigh F.","Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymers","CrystEngComm","2021","23","32","5531","5539","10.1039/D1CE00807B","","","0.71073","MoKα","","0.043","0.0424","","","0.1401","0.1406","","","","","","1.138","","","","has coordinates","268651","2021-09-06","10:24:36",""
"7243264","9.4525","0.0001","11.1197","0.0002","14.5433","0.0001","97.639","0.004","108.409","0.004","106.008","0.003","1352.99","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O4 -","- C30 H26 N4 O4 -","- C60 H52 N8 O8 -","2","1","","Witte, Felix; Rietsch, Philipp; Nirmalananthan-Budau, Nithiya; Weigert, Florian; Götze, Jan Phillip; Resch-Genger, Ute; Eigler, Siegfried; Paulus, Beate","Aggregation-induced emission leading to two distinct emissive species in the solid-state structure of high-dipole organic chromophores","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02534A","","","1.54178","CuKα","","0.0678","0.0495","","","0.1144","0.1237","","","","","","1.036","","","","has coordinates","267731","2021-07-24","04:06:26",""
"7243265","12.216","0.006","19.637","0.005","23.021","0.011","90","","99.56","0.04","90","","5446","4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 O16 Ti4 -","- C46 H84 O16 Ti4 -","- C184 H336 O64 Ti16 -","4","1","","Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora","Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters","RSC Advances","2021","11","40","25068","25078","10.1039/D0RA09691A","","x-ray","0.71073","MoKα","","0.0706","0.0506","","","0.1293","0.1411","","","","","","1.028","","","","has coordinates,has disorder","267740","2021-07-25","04:21:28",""
"7243266","12.19","0.0015","13.515","0.002","15.26","0.003","107.574","0.013","92.097","0.013","105.434","0.011","2291.5","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 O24 Ti6 -","- C96 H96 O24 Ti6 -","- C96 H96 O24 Ti6 -","1","0.5","","Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora","Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters","RSC Advances","2021","11","40","25068","25078","10.1039/D0RA09691A","","x-ray","0.71073","MoKα","","0.0448","0.0384","","","0.0993","0.1033","","","","","","1.049","","","","has coordinates,has disorder","267740","2021-07-25","04:21:28",""
"7243267","14.9415","0.0019","15.493","0.002","20.12","0.003","72.82","0.011","83.873","0.011","78.346","0.011","4352.5","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H96 O28 Ti6 -","- C80 H96 O28 Ti6 -","- C160 H192 O56 Ti12 -","2","1","","Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora","Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters","RSC Advances","2021","11","40","25068","25078","10.1039/D0RA09691A","","x-ray","0.71073","MoKα","","0.1064","0.055","","","0.1263","0.1473","","","","","","1.017","","","","has coordinates,has disorder","267740","2021-07-25","04:21:28",""
"7243268","10.1584","0.0002","6.6612","0.0002","18.5993","0.0005","90","","90","","90","","1258.56","0.06","193","2","193","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 -","- C13 H12.5 N O5 -","- C52 H50 N4 O20 -","4","0.5","","Duan, Guiyun; Liu, Hao; Zhang, Liqing; Yuan, Chunhao; Li, Yongchao; Ge, Yanqing","Access to 6-hydroxy indolizines and related imidazo[1,5-a]pyridines through the SN2 substitution/condensation/tautomerization cascade process","RSC Advances","2021","11","41","25624","25627","10.1039/D1RA04425G","","","1.34139","GaKα","","0.0615","0.0556","","","0.1519","0.1573","","","","","","1.099","","","","has coordinates,has disorder","267741","2021-07-25","04:22:02",""
"7243269","13.506","0.005","17.59","0.004","18.041","0.006","90","","97.01","0.02","90","","4254","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H65 N27 O23 Zn4 -","- C69 H65 N27 O23 Zn4 -","- C138 H130 N54 O46 Zn8 -","2","0.5","","Zhou, Yan; Han, Lei; Chen, Wen-Jie","Inter-ligand charge-transfer interactions in a photochromic and redox active zinc–organic framework","CrystEngComm","2021","23","35","5982","5988","10.1039/D1CE00689D","","","0.71073","MoKα","","0.1743","0.0682","","","0.124","0.146","","","","","","1.023","","","","has coordinates","269690","2021-10-06","14:54:30",""
"7243270","14.62006","0.00016","5.80584","0.00006","22.6165","0.0002","90","","104.199","0.0011","90","","1861.08","0.03","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br2 N3 -","- C20 H17 Br2 N3 -","- C80 H68 Br8 N12 -","4","1","","Yang, Jingya; Song, Menghui; Zhou, Hongyan; Qi, Yanfang; Ma, Ben; Wang, Xi-Cun","Visible-light-promoted decarboxylative addition cyclization of N-aryl glycines and azobenzenes to access 1,2,4-triazolidines","Green Chemistry","2021","23","16","5806","5811","10.1039/D1GC02272E","","","1.54184","CuKα","","0.0481","0.0458","","","0.1208","0.1229","","","","","","1.037","","","","has coordinates","268820","2021-09-06","11:47:12",""
"7243271","14.62006","0.00016","5.80584","0.00006","22.6165","0.0002","90","","104.199","0.0011","90","","1861.08","0.03","294.65","0.1","294.65","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br2 N3 -","- C20 H17 Br2 N3 -","- C80 H68 Br8 N12 -","4","1","","Yang, Jingya; Song, Menghui; Zhou, Hongyan; Qi, Yanfang; Ma, Ben; Wang, Xi-Cun","Visible-light-promoted decarboxylative addition cyclization of N-aryl glycines and azobenzenes to access 1,2,4-triazolidines","Green Chemistry","2021","23","16","5806","5811","10.1039/D1GC02272E","","x-ray","1.54184","CuKα","","0.0481","0.0458","","","0.1208","0.1229","","","","","","1.037","","","","has coordinates","268820","2021-09-06","11:47:13",""
"7243272","10.3161","0.0003","14.7176","0.0004","16.3208","0.0004","90","","98.968","0.003","90","","2447.67","0.12","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Co N4 O5 -","- C29 H21 Co N4 O5 -","- C116 H84 Co4 N16 O20 -","4","1","","Zhao, Dongsheng; Song, Junqi; Zhang, Xiutang; Wang, Feng; Li, Bei; Yang, Lulu; Deng, Yuxin; Li, Qingbo; Fan, Liming","A pillar-layered binuclear 3D cobalt(ii) coordination polymer as an electrocatalyst for overall water splitting and as a chemosensor for Cr(vi) anion detection","CrystEngComm","2021","23","36","6245","6252","10.1039/D1CE00685A","","","0.71073","MoKα","","0.0644","0.0465","","","0.1172","0.1276","","","","","","1.044","","","","has coordinates","269675","2021-10-06","14:51:14",""
"7243273","4.928","0.0003","17.0736","0.0011","16.567","0.0011","90","","91.691","0.001","90","","1393.32","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Hg I2 N4 O -","- C10 H8 Hg I2 N4 O -","- C40 H32 Hg4 I8 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0205","0.0171","","","0.0315","0.0322","","","","","","1.115","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243274","19.052","0.002","59.023","0.007","4.0392","0.0005","90","","90","","90","","4542.1","0.9","120","2","120","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C20 H16 Cd I2 N8 O2 -","- C20 H16 Cd I2 N8 O2 -","- C160 H128 Cd8 I16 N64 O16 -","8","0.5","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.025","0.0244","","","0.0655","0.0656","","","","","","1.467","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243275","3.9055","0.0004","34.576","0.003","9.6848","0.0009","90","","101.416","0.001","90","","1281.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Br2 Hg N4 O -","- C10 H8 Br2 Hg N4 O -","- C40 H32 Br8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0299","0.025","","","0.0421","0.0431","","","","","","1.153","","","","has coordinates","288154","2023-12-07","16:16:26",""
"7243276","3.8092","0.0004","33.691","0.004","9.6053","0.0011","90","","100.534","0.0015","90","","1211.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl2 Hg N4 O -","- C10 H8 Cl2 Hg N4 O -","- C40 H32 Cl8 Hg4 N16 O4 -","4","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0272","0.0224","","","0.0395","0.0407","","","","","","1.12","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243277","7.5409","0.0007","11.8032","0.0011","13.1436","0.0013","79.856","0.001","89.98","0.001","74.499","0.001","1108.35","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N8 O2 Zn -","- C20 H16 Cl2 N8 O2 Zn -","- C40 H32 Cl4 N16 O4 Zn2 -","2","1","","Nezhadali Baghan, Zahra; Salimi, Alireza; Eshtiagh-Hosseini, Hossein; Oliver, Allen G.","Hydrogen bond synthons affect the coordination geometry of d10-metal halide complexes: synthetic methods, theoretical studies, and supramolecular architectures","CrystEngComm","2021","23","36","6276","6290","10.1039/D1CE00747E","","","0.71073","MoKα","","0.0318","0.0254","","","0.0576","0.0601","","","","","","1.042","","","","has coordinates","269682","2021-10-06","14:52:46",""
"7243278","8.0894","0.0008","8.6805","0.0009","16.3072","0.0015","80.083","0.002","79.077","0.001","79.493","0.001","1094.2","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F3 O3 S2 -","- C22 H17 F3 O3 S2 -","- C44 H34 F6 O6 S4 -","2","1","","Qin, Long-Zhou; Yuan, Xin; Liu, Jie; Wu, Meng-Yu; Sun, Qi; Duan, Xiu; Zhang, Xin-Peng; Qiu, Jiang-Kai; Guo, Kai","Continuous-flow processes for the S-alkynylation of cysteine-containing peptides and thioglycosides under catalyst-free, oxidant-free and mild conditions","Green Chemistry","2021","23","17","6598","6603","10.1039/D1GC01937F","","","0.71073","MoKα","","0.131","0.0911","","","0.2679","0.3079","","","","","","1.114","","","","has coordinates","268817","2021-09-06","11:46:50",""
"7243279","11.298","0.003","13.398","0.003","15.678","0.004","90","","107.247","0.004","90","","2266.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N3 O5 -","- C24 H29 N3 O5 -","- C96 H116 N12 O20 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","0.71073","MoKα","","0.0948","0.0475","","","0.1263","0.1535","","","","","","1.037","","","","has coordinates","267814","2021-07-29","05:06:52",""
"7243280","5.329","0.003","10.708","0.005","15.496","0.007","83.878","0.009","87.608","0.009","82.24","0.009","870.8","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F2 N2 O3 -","- C25 H18 F2 N2 O3 -","- C50 H36 F4 N4 O6 -","2","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","0.71073","MoKα","","0.0965","0.0623","","","0.169","0.1941","","","","","","1.052","","","","has coordinates","267814","2021-07-29","05:06:52",""
"7243281","13.6957","0.0016","6.3687","0.0007","24.058","0.003","90","","104.09","0.006","90","","2035.3","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24.75 N3 O4.42 -","- C21 H24.88 N3 O4.41 -","- C84 H99.52 N12 O17.64 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.1081","0.0706","","","0.188","0.215","","","","","","1.029","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243282","10.9249","0.0005","6.574","0.0003","25.7341","0.0011","90","","94.79","0.003","90","","1841.78","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.1011","0.0925","","","0.2368","0.253","","","","","","1.026","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243283","6.6192","0.0006","19.7039","0.0017","14.2723","0.0013","90","","99.079","0.005","90","","1838.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.0507","0.0461","","","0.1239","0.1332","","","","","","1.074","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243284","18.1988","0.0007","4.8105","0.0002","22.1672","0.0008","90","","112.874","0.003","90","","1788.03","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.0687","0.049","","","0.1431","0.1575","","","","","","1.072","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243285","11.0881","0.0002","33.6789","0.0005","12.0491","0.0002","90","","108.137","0.002","90","","4275.99","0.13","169.99","0.1","170.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetrakis(((aquo)-N-(2-oxo-3-hydroxybenzylidene)isonicotinylhydrazonato)dioxomolybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H62 Mo12 N14 O54 -","- C56 H62 Mo12 N14 O54 -","- C112 H124 Mo24 N28 O108 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0503","0.0443","","","0.1281","0.1324","","","","","","1.094","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243286","7.9678","0.0003","10.7556","0.0006","18.9607","0.0007","83.396","0.004","83.567","0.003","73.581","0.004","1542.89","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","- C34 H42 Mo10 N10 O40 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0639","0.0416","","","0.0873","0.1026","","","","","","1.074","","","","has coordinates,has disorder","269676","2021-10-06","14:51:41",""
"7243287","9.4085","0.0004","16.2433","0.0005","17.3878","0.0004","116.276","0.003","95.232","0.003","93.035","0.003","2359.8","0.15","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonium)-molybdenum(vi)) octamolybdate acetonitrile solvate hydrate","","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","- C56 H74 Mo12 N14 O60 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0536","0.0515","","","0.1461","0.1482","","","","","","1.09","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243288","9.3622","0.0007","10.7026","0.0009","15.853","0.001","106.074","0.006","92.475","0.006","107.934","0.007","1437.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","bis((acetonitrile)-dioxo-(N-(2-oxy-4-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","- C38 H38 Mo8 N12 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.1813","0.0738","","","0.103","0.1375","","","","","","0.985","","","","has coordinates","269676","2021-10-06","14:51:41",""
"7243289","10.8617","0.0004","10.9074","0.0004","13.8765","0.0006","97.652","0.003","107.915","0.003","114.577","0.004","1356.26","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","bis((aquo)-dioxo-(N-(2-oxy-4-methoxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate acetonitrile solvate","","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","- C36 H40 Mo8 N10 O31 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0464","0.0335","","","0.0772","0.0847","","","","","","1.136","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243290","7.5406","0.0006","8.665","0.0015","17.325","0.003","103.429","0.014","90.359","0.009","89.999","0.01","1101","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","[bis-(N'-(2-oxo-3-methoxybenzylidene)isonicotinoylhydrazonato)tetraoxodimolybdenum(vi) hexamolybdate","","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","- C28 H24 Mo8 N6 O29 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","x-ray","0.71073","MoKα","","0.1783","0.0765","","","0.1486","0.1747","","","","","","0.78","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243291","10.2611","0.0002","10.5249","0.0002","15.9967","0.0002","100.373","0.001","104.041","0.002","106.41","0.002","1549.28","0.06","169.99","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","- C34 H47 Mo10 N9 O42 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0368","0.0342","","","0.0927","0.0944","","","","","","1.087","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243292","7.6794","0.0002","9.3605","0.0003","29.2326","0.0009","90","","89.706","0.003","90","","2101.3","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis((aquo)-dioxo-(N-(2-oxy-3-hydroxybenzylidene)isonicotinylhydrazonato)-molybdenum(vi)) hexamolybdate","","- C26 H24 Mo8 N6 O31 -","- C26 H24 Mo8 N6 O31 -","- C52 H48 Mo16 N12 O62 -","2","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","0.71073","MoKα","","0.0827","0.0525","","","0.0952","0.1056","","","","","","1.089","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243293","10.5703","0.0002","11.3121","0.0002","14.2003","0.0002","107.159","0.001","102.412","0.001","105.877","0.002","1477.54","0.05","169.98","0.1","170.15","","","","","","","","","5","P -1","-P 1","2","","[N-(2-oxo-4-methoxybenzylidene)isonicotinoylhydrazonato](aqua)dioxomolybdenum(vi) octamolybdate acetonitrile solvate hydrate","","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","- C32 H42 Mo10 N8 O41 -","1","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0353","0.0315","","","0.0835","0.085","","","","","","1.105","","","","has coordinates,has disorder","269676","2021-10-06","14:51:42",""
"7243294","21.0479","0.0004","8.6686","0.0002","29.2039","0.0005","90","","95.92","0.002","90","","5300","0.18","169.98","0.1","170.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[N'-(2-oxo-4-hydroxybenzylidene)isonicotinoylhydrazonato](acetonitrile)dioxomolybdenum(vi) hexamolybdate acetonitrile solvate","","- C34 H32 Mo8 N10 O29 -","- C34 H32 Mo8 N10 O29 -","- C136 H128 Mo32 N40 O116 -","4","0.5","","Bebić, Nikol; Topić, Edi; Mandarić, Mirna; Hrenar, Tomica; Vrdoljak, Višnja","Extending the structural landscape of Mo(vi) hydrazonato inorganic–organic POM-hybrids: an experimental and computational study","CrystEngComm","2021","23","36","6349","6358","10.1039/D1CE00861G","","","1.54184","CuKα","","0.0442","0.0418","","","0.1177","0.1208","","","","","","1.081","","","","has coordinates","269676","2021-10-06","14:51:42",""
"7243295","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243296","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243297","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269693","2021-10-06","14:55:21",""
"7243298","10.6395","0.0003","13.2614","0.0004","14.0523","0.0004","94.619","0.002","90.613","0.002","93.445","0.002","1972.45","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Eu N7 O19 -","- C34 H36 Eu N7 O19 -","- C68 H72 Eu2 N14 O38 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.04","0.0286","","","0.0538","0.0564","","","","","","1.03","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243299","10.5802","0.0008","14.8763","0.001","15.6669","0.0011","64.083","0.007","86.853","0.006","72.573","0.007","2107.8","0.3","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Co N10 O11 -","- C40 H41 Co N10 O11 -","- C80 H82 Co2 N20 O22 -","2","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","x-ray","0.71073","MoKα","","0.0885","0.0493","","","0.1086","0.1195","","","","","","1.034","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243300","10.2652","0.0002","20.5445","0.0004","39.9674","0.0008","90","","96.8","0.001","90","","8369.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Co Eu2 N17 O32 -","- C75 H80 Co Eu2 N17 O32 -","- C300 H320 Co4 Eu8 N68 O128 -","4","1","","Wang, Yi-Wen; Li, Meng-Hua; Zhang, Shu-Quan; Fang, Xin; Lin, Mei-Jin","Photochromic and photocontrolled luminescent rare-earth D–A hybrid crystals based on rigid viologen acceptors","CrystEngComm","2021","23","36","6267","6275","10.1039/D1CE00789K","","","1.54178","CuKα","","0.078","0.0538","","","0.1251","0.1372","","","","","","1.012","","","","has coordinates","269677","2021-10-06","14:52:00",""
"7243301","6.3273","0.0004","12.3383","0.0007","29.2787","0.0016","90","","95.255","0.002","90","","2276.1","0.2","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O6 S2 -","- C22 H28 N2 O6 S2 -","- C88 H112 N8 O24 S8 -","4","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71076","MoKα","","0.0943","0.0821","","","0.1799","0.1853","","","","","","1.223","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243302","39.252","0.005","13.2429","0.0016","11.3983","0.0015","90","","103.326","0.003","90","","5765.4","1.3","298","2","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 O14 S3 -","- C26 H24 N2 O14 S3 -","- C208 H192 N16 O112 S24 -","8","1","","Wu, Yanhui; Hao, Xiujia; Li, Jianting; Guan, Aiying; Zhou, Zhengzheng; Guo, Fang","New insight into improving the solubility of poorly soluble drugs by preventing the formation of their hydrogen-bonds: a case of dapsone salts with camphorsulfonic and 5-sulfosalicylic acid","CrystEngComm","2021","23","35","6191","6198","10.1039/D1CE00847A","","","0.71073","MoKα","","0.0741","0.0626","","","0.1554","0.1612","","","","","","1.125","","","","has coordinates","269688","2021-10-06","14:54:12",""
"7243303","8.4879","0.001","9.8238","0.0014","10.6092","0.0011","110.924","0.012","95.681","0.009","108.558","0.012","760.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Han, Zhi-Peng; Xu, Meng-Meng; Zhang, Rui-Ying; Xu, Xiao-Ping; Ji, Shun-Jun","Rh(iii)-Catalyzed C(sp2)‒H functionalization/cyclization cascade of N-carboxamide indole and iodonium reagents for access to indoloquinazolinone derivatives","Green Chemistry","2021","23","17","6337","6340","10.1039/D1GC01820E","","","1.54184","CuKα","","0.1197","0.084","","","0.2306","0.308","","","","","","1.095","","","","has coordinates","268819","2021-09-06","11:47:05",""
"7243304","16.724","0.002","15.302","0.002","7.6345","0.001","90","","90","","90","","1953.7","0.4","119.91","","119.91","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C18 H16 B F2 I2 N3 -","- C18 H16 B F2 I2 N3 -","- C72 H64 B4 F8 I8 N12 -","4","0.25","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0309","0.0298","","","0.079","0.0798","","","","","","1.127","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243305","10.8154","0.0006","15.2133","0.0009","16.0136","0.0008","64.677","0.003","83.593","0.003","75.477","0.003","2305.5","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C96 H84 B4 F8 I4 N12 -","4","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.1079","0.0805","","","0.2111","0.2206","","","","","","1.069","","","","has coordinates,has disorder","269684","2021-10-06","14:53:13",""
"7243306","16.712","0.0011","7.8829","0.0004","34.6268","0.0019","90","","90","","90","","4561.7","0.5","296","2","296.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H21 B F2 I N3 -","- C24 H21 B F2 I N3 -","- C192 H168 B8 F16 I8 N24 -","8","2","","Özcan, Emrah; Dedeoglu, Burcu; Chumakov, Yurii; Zorlu, Yunus; Çoşut, Bünyemin; Ayhan, Mehmet Menaf","Modulation of supramolecular self-assembly of BODIPY tectons via halogen bonding","CrystEngComm","2021","23","36","6365","6375","10.1039/D1CE00862E","","","0.71073","MoKα","","0.0639","0.0417","","","0.0925","0.1002","","","","","","1.043","","","","has coordinates","269684","2021-10-06","14:53:13",""
"7243307","13.2078","0.001","7.3883","0.0005","13.6241","0.0009","90","","110.544","0.003","90","","1244.93","0.15","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 Br2 F8 -","- C12 Br2 F8 -","- C48 Br8 F32 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0289","0.0222","","","0.0459","0.049","","","","","","1.0562","","","","has coordinates","269695","2021-10-06","15:00:29",""
"7243308","13.857","0.0006","13.7638","0.0006","11.5041","0.0005","90","","104.737","0.002","90","","2121.94","0.16","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F8 I2 N2 -","- C20 H12 F8 I2 N2 -","- C80 H48 F32 I8 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0186","0.0164","","","0.0389","0.041","","","","","","1.0477","","","","has coordinates","269695","2021-10-06","15:00:38",""
"7243309","6.8796","0.0006","7.4209","0.0006","9.2086","0.0008","82.848","0.003","82.965","0.003","75.554","0.003","449.67","0.07","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","- C18 H12 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0294","0.0258","","","0.0682","0.072","","","","","","1.054","","","","has coordinates","269695","2021-10-06","15:00:40",""
"7243310","5.7357","0.0001","6.2412","0.0001","10.6257","0.0001","86.11","0.001","74.656","0.001","77.418","0.001","357.986","0.009","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","- C12 H8 F4 I2 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.021","0.0173","","","0.0373","0.0418","","","","","","1.0986","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243311","8.0424","0.0004","7.0976","0.0004","33.8513","0.0017","90","","94.497","0.002","90","","1926.34","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 Br2 F8 N2 -","- C20 H6 Br2 F8 N2 -","- C80 H24 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0521","0.0341","","","0.0812","0.0928","","","","","","1.0666","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243312","7.3598","0.0005","11.2484","0.0008","13.8819","0.001","88.308","0.003","78.403","0.002","76.782","0.002","1095.78","0.13","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 Br2 F8 N2 -","- C24 H10 Br2 F8 N2 -","- C48 H20 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0359","0.0288","","","0.0586","0.0605","","","","","","1.0766","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243313","7.9217","0.0005","11.1526","0.0009","12.8382","0.001","105.19","0.004","107.58","0.002","90.334","0.003","1039.01","0.14","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C44 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0613","0.0453","","","0.0884","0.0951","","","","","","1.0647","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243314","4.8003","0.0002","6.6036","0.0002","10.9521","0.0004","83.796","0.003","84.121","0.003","79.072","0.003","337.69","0.02","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","- C12 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.0329","0.028","","","0.0614","0.0626","","","","","","1.0432","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243315","12.9213","0.0006","12.3927","0.0006","11.7294","0.0005","90","","90","","90","","1878.23","0.15","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 Br2 F8 N2 -","- C18 H8 Br2 F8 N2 -","- C72 H32 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0309","0.0216","","","0.0447","0.0473","","","","","","1.007","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243316","7.7281","0.0002","7.6981","0.0003","36.2272","0.0013","90","","91.551","0.001","90","","2154.43","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 F8 I2 N2 -","- C22 H8 F8 I2 N2 -","- C88 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0299","0.0249","","","0.0495","0.0518","","","","","","1.0663","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243317","13.3837","0.0009","13.8699","0.001","11.1754","0.0008","90","","102.784","0.003","90","","2023.1","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Br2 F8 N2 -","- C20 H12 Br2 F8 N2 -","- C80 H48 Br8 F32 N8 -","4","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0179","0.0162","","","0.0412","0.0421","","","","","","1.0309","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243318","7.776","0.0004","10.0737","0.0006","14.895","0.0009","81.781","0.002","78.26","0.002","83.082","0.002","1125.59","0.11","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 Br2 F8 N2 -","- C24 H12 Br2 F8 N2 -","- C48 H24 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0235","0.0193","","","0.0468","0.0491","","","","","","1.0529","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243319","7.0459","0.0003","14.8959","0.0006","11.1802","0.0005","90","","102.71","0.0015","90","","1144.66","0.08","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Br2 F4 N4 -","- C22 H24 Br2 F4 N4 -","- C44 H48 Br4 F8 N8 -","2","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0366","0.0277","","","0.0593","0.0658","","","","","","1.0569","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243320","7.4148","0.0005","11.4097","0.0007","21.198","0.0012","90.035","0.002","90.01","0.002","107.163","0.002","1713.5","0.18","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H10 Br4 F16 N2 -","- C36 H10 Br4 F16 N2 -","- C72 H20 Br8 F32 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0319","0.0243","","","0.0529","0.0565","","","","","","1.0571","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243321","7.7409","0.0004","11.2944","0.0006","12.7419","0.0008","73.313","0.002","72.443","0.002","89.944","0.002","1012.9","0.1","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H8 Br2 F8 N2 -","- C22 H8 Br2 F8 N2 -","- C44 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0785","0.0554","","","0.1159","0.1231","","","","","","1.0489","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243322","11.499","0.001","6.267","0.0005","19.965","0.0018","90","","98.291","0.003","90","","1423.7","0.2","100.01","","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 Br2 F4 N2 -","- C14 H6 Br2 F4 N2 -","- C56 H24 Br8 F16 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.029","0.0208","","","0.0463","0.0523","","","","","","1.066","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243323","13.5292","0.0011","10.9229","0.0008","14.122","0.001","90","","108.47","0.003","90","","1979.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 F8 I2 N2 -","- C18 H12 F8 I2 N2 -","- C72 H48 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0223","0.0191","","","0.0436","0.047","","","","","","1.0544","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243324","7.9651","0.0005","10.8942","0.0007","14.4024","0.001","108.756","0.002","105.483","0.002","90.273","0.003","1134.8","0.13","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 F8 I2 N2 -","- C24 H10 F8 I2 N2 -","- C48 H20 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0308","0.0236","","","0.0503","0.058","","","","","","1.0903","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243325","13.1047","0.001","10.8097","0.0008","14.146","0.0011","90","","107.369","0.003","90","","1912.5","0.3","100","2","100.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Br2 F8 N2 -","- C18 H12 Br2 F8 N2 -","- C72 H48 Br8 F32 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0449","0.0297","","","0.0594","0.0661","","","","","","1.0284","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243326","13.1529","0.0017","18.502","0.003","15.239","0.003","90","","90","","90","","3708.5","1.1","100","","100","","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C18 H12 F4 I2 N2 -","- C18 H12 F4 I2 N2 -","- C144 H96 F32 I16 N16 -","8","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0316","0.0239","","","0.0447","0.0503","","","","","","1.061","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243327","7.938","0.003","10.577","0.004","29.826","0.011","91.873","0.011","94.086","0.013","105.304","0.011","2405.8","1.6","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H18 Br6 F24 N3 -","- C45 H18 Br6 F24 N3 -","- C90 H36 Br12 F48 N6 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.041","0.0285","","","0.055","0.062","","","","","","1.0693","","","","has coordinates,has disorder","269695","2021-10-06","15:00:41",""
"7243328","7.7139","0.0006","12.2385","0.001","13.5005","0.0011","113.307","0.003","99.272","0.003","94.932","0.003","1139.37","0.16","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 F8 I2 N2 -","- C24 H8 F8 I2 N2 -","- C48 H16 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0163","0.0143","","","0.034","0.0355","","","","","","1.0633","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243329","7.6092","0.0004","12.2473","0.0007","12.89","0.0008","111.115","0.002","100.664","0.002","95.114","0.002","1085.22","0.11","101","","101","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H8 Br2 F8 N2 -","- C24 H8 Br2 F8 N2 -","- C48 H16 Br4 F16 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0222","0.0182","","","0.0413","0.0437","","","","","","1.0713","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243330","8.2738","0.0005","6.9896","0.0004","34.5606","0.0018","90","","93.006","0.002","90","","1995.9","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H6 F8 I2 N2 -","- C20 H6 F8 I2 N2 -","- C80 H24 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.021","0.0171","","","0.0361","0.0388","","","","","","1.0613","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243331","6.8925","0.0009","7.6625","0.001","8.623","0.0012","108.019","0.005","97.023","0.005","109.558","0.004","394.92","0.09","99.99","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","- C16 H8 Br2 F4 N2 -","1","0.5","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0236","0.0199","","","0.0425","0.0455","","","","","","1.0716","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243332","7.6382","0.0004","15.066","0.0008","35.9783","0.0018","90","","90.815","0.002","90","","4139.9","0.4","100.01","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H16 Br4 F16 N4 -","- C44 H16 Br4 F16 N4 -","- C176 H64 Br16 F64 N16 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0377","0.0265","","","0.0544","0.0593","","","","","","1.074","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243333","12.6612","0.0011","12.5742","0.0012","12.2189","0.0011","90","","90","","90","","1945.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H8 F8 I2 N2 -","- C18 H8 F8 I2 N2 -","- C72 H32 F32 I8 N8 -","4","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0274","0.0265","","","0.065","0.0658","","","","","","1.0488","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243334","7.7759","0.0002","9.1295","0.0002","11.648","0.0001","97.062","0.001","95.417","0.001","110.587","0.002","759.74","0.03","106","8","106","8","","","","","","","","5","P -1","-P 1","2","","","","- C13 H10 F4 I2 N2 -","- C13 H10 F4 I2 N2 -","- C26 H20 F8 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","x-ray","0.71073","MoKα","","0.035","0.0302","","","0.0809","0.1058","","","","","","1.258","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243335","7.9933","0.0007","10.05","0.001","15.0745","0.0014","80.124","0.003","78.66","0.003","83.953","0.003","1166.52","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H12 F8 I2 N2 -","- C24 H12 F8 I2 N2 -","- C48 H24 F16 I4 N4 -","2","1","","Peloquin, Andrew J.; McMillen, Colin D.; Pennington, William T.","One dimensional halogen bond design: Br⋯N versus I⋯N with fluoroarenes","CrystEngComm","2021","23","35","6098","6106","10.1039/D1CE00864A","","","0.71073","MoKα","","0.0184","0.0168","","","0.0389","0.0397","","","","","","1.0609","","","","has coordinates","269695","2021-10-06","15:00:41",""
"7243336","30.1122","0.0018","11.7047","0.0005","8.0292","0.0003","90","","96.307","0.005","90","","2812.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 O12 S4 -","- C24 H28 N4 O12 S4 -","- C96 H112 N16 O48 S16 -","4","1","","Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed","Physico-chemical study of new supramolecular-architectured hybrid organic‒inorganic sulfates incorporating diammoniumdiphenylsulfone cations","RSC Advances","2021","11","42","26368","26378","10.1039/D1RA03696C","","x-ray","1.54184","CuKα","","0.0832","0.0573","","","0.1344","0.1485","","","","","","1.057","","","","has coordinates","267910","2021-08-03","04:58:28",""
"7243337","10.6218","0.0004","9.6697","0.0004","14.1442","0.0005","90","","106.322","0.004","90","","1394.2","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 N4 O12 S4 -","- C24 H28 N4 O12 S4 -","- C48 H56 N8 O24 S8 -","2","1","","Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed","Physico-chemical study of new supramolecular-architectured hybrid organic‒inorganic sulfates incorporating diammoniumdiphenylsulfone cations","RSC Advances","2021","11","42","26368","26378","10.1039/D1RA03696C","","x-ray","1.54184","CuKα","","0.0365","0.0329","","","0.0881","0.0919","","","","","","1.063","","","","has coordinates","267910","2021-08-03","04:58:32",""
"7243338","18.8828","0.0007","11.3176","0.0004","8.0387","0.0003","90","","94.0405","0.0014","90","","1713.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Co N2 O9 -","- C14 H18 Co N2 O9 -","- C56 H72 Co4 N8 O36 -","4","1","","Hsieh, Yi-Ting; Huang, Ssu-Chia; Lu, Shih-I.; Wang, Hsiao-Hsun; Chang, Tsai-Wen; Wang, Chih-Chieh; Lee, Gene-Hsiang; Chuang, Yu-Chun","Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C4O4)(H2O)2]·3H2O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applications","RSC Advances","2021","11","43","26516","26522","10.1039/D1RA04622E","","","0.71073","MoKα","","0.0753","0.071","","","0.1311","0.1329","","","","","","1.306","","","","has coordinates","267911","2021-08-03","04:58:56",""
"7243339","11.3434","0.0003","14.0488","0.0004","13.7721","0.0004","90","","107.982","0.008","90","","2087.53","0.14","94","","94","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H17 B Cl N2 O2 -","- C25.5 H18 B Cl N2 O2 -","- C102 H72 B4 Cl4 N8 O8 -","4","1","","Hoshi, Keita; Itaya, Masami; Tahara, Koki; Matsumoto, Airi; Tabata, Atsuhi; Nagamune, Hideaki; Yoshida, Yasushi; Hase, Eiji; Minamikawa, Takeo; Yasui, Takeshi; Katayama, Tetsuro; Furube, Akihiro; Minagawa, Keiji; Imada, Yasushi; Yagishita, Fumitoshi","Two-photon excitable boron complex based on tridentate imidazo[1,5-a]pyridine ligand for heavy-atom-free mitochondria-targeted photodynamic therapy","RSC Advances","2021","11","42","26403","26407","10.1039/D1RA05059A","","","1.54187","CuKα","","0.0919","0.082","","","0.1917","0.1983","","","","","","1.053","","","","has coordinates,has disorder","267912","2021-08-03","04:59:22",""
"7243340","10.3439","0.0005","11.4569","0.0006","11.9709","0.0006","76.621","0.002","64.402","0.002","85.987","0.002","1243.97","0.11","298","2","298.01","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22.5 Cd2 N2 O12.75 -","- C21 H22.5 Cd2 N2 O12.75 -","- C42 H45 Cd4 N4 O25.5 -","2","1","","Wen, Gui-Lin; Wu, Wei-Ping; Wang, Feng-Wu; Liu, Dao-Fu; Wang, Xiao-Ling; Rong, Jie-Wei; Wang, Yao-Yu","An excellent thermostable dual-functionalized 3D fsx-type Cd(ii) MOF for the highly selective detection of Fe3+ ions and ten nitroaromatic explosives","CrystEngComm","2021","23","35","6171","6179","10.1039/D1CE00939G","","","0.71073","MoKα","","0.0453","0.0302","","","0.0634","0.0688","","","","","","1.039","","","","has coordinates,has disorder","269692","2021-10-06","14:55:06",""
"7243341","9.19375","0.00021","12.33041","0.00024","3.016669","0.000051","90","","90","","90","","341.978","0.012","300","","300","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.228","","","","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243342","9.1828","0.0003","12.2766","0.0003","3.0091","0.0001","90","","90","","90","","339.227","0.018","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","- B4 Cu Mn4 Ni7 O20 -","1","0.125","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.043","0.0425","","","0.1203","0.1206","","","","","","1.968","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243343","9.1735","0.0002","12.2939","0.0003","3.0018","0.0001","90","","90","","90","","338.537","0.016","296","2","296","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- B2 Cu Mn2 Ni3 O10 -","- B2 Cu Mn2 Ni3 O10 -","- B4 Cu2 Mn4 Ni6 O20 -","2","0.25","","Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana","Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure","CrystEngComm","2021","23","33","5624","5635","10.1039/D1CE00750E","","","0.71073","MoKα","","0.0418","0.0413","","","0.1266","0.127","","","","","","2.021","","","","has coordinates","268656","2021-09-06","10:25:52",""
"7243344","14.3406","0.0008","17.5842","0.0011","19.2583","0.0011","90","","105.478","0.003","90","","4680.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Cl3 N4 O10 -","- C46 H47 Cl3 N4 O10 -","- C184 H188 Cl12 N16 O40 -","4","1","","Sharma, Pragati R.; Pandey, Shubham; Malik, Apoorva; Choudhary, Ganpat; Soni, Vineet K.; Sharma, Rakesh K.","Calix[4]amido crown functionalized visible sensors for cyanide and iodide anions","RSC Advances","2021","11","43","26644","26654","10.1039/D1RA03608D","","","0.71073","MoKα","","0.139","0.093","","","0.2791","0.3244","","","","","","1.925","","","","has coordinates","267956","2021-08-05","03:37:22",""
"7243345","3.7462","0.0011","9.557","0.003","29.904","0.008","90","","90.357","0.005","90","","1070.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 F2 O2 -","- C15 H8 F2 O2 -","- C60 H32 F8 O8 -","4","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0856","0.0478","","","0.1117","0.1273","","","","","","1.034","","","","has coordinates","268687","2021-09-06","10:32:12",""
"7243346","18.665","0.002","3.8338","0.0004","33.213","0.004","90","","95.3374","0.0017","90","","2366.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8.07 Cl1.93 O2 -","- C15 H8.07 Cl1.93 O2 -","- C120 H64.56 Cl15.44 O16 -","8","1","","Gately, Thomas J.; Sontising, Watit; Easley, Connor J.; Islam, Imadul; Al-Kaysi, Rabih O.; Beran, Gregory J. O.; Bardeen, Christopher J.","Effect of halogen substitution on energies and dynamics of reversible photomechanical crystals based on 9-anthracenecarboxylic acid","CrystEngComm","2021","23","34","5931","5943","10.1039/D1CE00846C","","","0.71073","MoKα","","0.0546","0.0443","","","0.1126","0.1199","","","","","","1.066","","","","has coordinates,has disorder","268687","2021-09-06","10:32:13",""
"7243347","8.6373","0.0005","10.47","0.0007","11.2282","0.0006","69.078","0.002","87.216","0.002","66.729","0.002","866.21","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","- H32.2 Mo0.95 N3.05 Na2 O38 V9.05 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0738","0.061","","","0.1965","0.205","","","","","","1.061","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243348","8.5037","0.0005","10.2366","0.0006","11.0539","0.0007","68.641","0.002","87.059","0.002","67.707","0.002","824.94","0.09","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","- H35.48 Li2 Mo0.13 N3.87 O38 V9.87 -","1","0.5","","Yao, Zhi-Yuan; Zhang, Guo-Qin; Li, Zi-Han; Shen, Lin-Jiang; Ren, Xiao-Ming","Structure-directing effect of aqueous alkali metal ion (Li+, Na+ and K+) clusters on the polyoxoanion configuration in vanadium–molybdenum polyoxometalate solid solutions","CrystEngComm","2021","23","37","6533","6540","10.1039/D1CE00875G","","","0.71073","MoKα","","0.0316","0.0288","","","0.0822","0.0838","","","","","","1.048","","","","has coordinates","269668","2021-10-06","14:48:04",""
"7243349","10.8049","0.0001","13.8758","0.0002","14.4304","0.0002","62.546","0.001","81.232","0.001","88.055","0.001","1895.79","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C44 H54 O4 P2 -","- C44 H54 O4 P2 -","- C88 H108 O8 P4 -","2","1","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","x-ray","1.54184","CuKα","","0.0366","0.0344","","","0.0914","0.0932","","","","","","1.078","","","","has coordinates","267972","2021-08-06","03:51:40",""
"7243350","8.0873","0.0007","9.4963","0.0009","13.1468","0.0012","92.553","0.004","105.035","0.004","95.537","0.004","968.01","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H O P -","- C2.75 H3.125 O0.375 P0.125 -","- C44 H50 O6 P2 -","16","8","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","","0.71073","MoKα","","0.0624","0.0446","","","0.1056","0.1138","","","","","","1.059","","","","has coordinates","267972","2021-08-06","03:51:41",""
"7243351","14.554","0.002","7.222","0.0011","31.176","0.004","90","","97.878","0.005","90","","3246","0.8","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C40 H46 P2 -","- C2.22222 H2.55556 P0.111111 -","- C160 H184 P8 -","72","18","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","","0.71073","MoKα","","0.0495","0.0413","","","0.0942","0.098","","","","","","1.063","","","","has coordinates","267972","2021-08-06","03:51:41",""
"7243352","23.219","0.002","8.4649","0.0008","24.795","0.002","90","","110.975","0.002","90","","4550.4","0.7","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N-dimethyl-2'-((1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphaadamantan-8-yl)-[1,1'-biphenyl]-2-amine","","- C24 H30 N O3 P -","- C3.2 H4 N0.133333 O0.4 P0.133333 -","- C192 H240 N8 O24 P8 -","60","7.5","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","","0.71073","MoKα","","0.0438","0.0358","","","0.091","0.0971","","","","","","1.038","","","","has coordinates","267972","2021-08-06","03:51:41",""
"7243353","8.695","0.009","11.849","0.013","13.515","0.014","71.182","0.011","88.994","0.011","80.25","0.011","1298","2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl N5 O -","- C31 H28 Cl N5 O -","- C62 H56 Cl2 N10 O2 -","2","1","","Dhir, Abhimanew; Rajkumar, Madhu; Desiraju, Gautam R.","Cocrystal hydrate of Bandrowski's base and clotrimazole: a prospective ingredient for hair dye formulations","CrystEngComm","2021","23","32","5421","5424","10.1039/D1CE00751C","","","0.71075","MoKα","","0.2314","0.1016","","","0.2055","0.2649","","","","","","0.953","","","","has coordinates","268649","2021-09-06","10:24:21",""
"7243354","7.7083","0.0002","17.6112","0.0005","23.3347","0.0004","96.381","0.002","96.351","0.002","94.418","0.002","3115.98","0.13","123","2","123","","","","","","","","","3","P -1","-P 1","2","","HPyB-TCNQ","","- C78 H38 N20 -","- C78 H38 N20 -","- C156 H76 N40 -","2","1","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.1129","0.064","","","0.1731","0.2055","","","","","","1.028","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243355","7.7403","0.0001","17.6776","0.0002","23.7797","0.0002","96.408","0.001","96.97","0.001","94.633","0.001","3194.85","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H19 N10 -","- C39 H19 N10 -","- C156 H76 N40 -","4","2","","Ando, Rempei; Jin, Mingoo; Ito, Hajime","Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane","CrystEngComm","2021","23","33","5564","5568","10.1039/D1CE00726B","","x-ray","1.54184","CuKα","","0.0801","0.0638","","","0.194","0.2108","","","","","","1.069","","","","has coordinates,has disorder","268657","2021-09-06","10:26:00",""
"7243356","8.0531","0.0005","8.0531","0.0005","6.9501","0.0008","90","","90","","90","","450.73","0.07","292.22","0.1","292.22","0.1","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Hg K2 Se4 Sn -","- Hg K2 Se4 Sn -","- Hg2 K4 Se8 Sn2 -","2","0.0625","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","x-ray","0.71073","MoKα","","0.0976","0.096","","","0.2515","0.2524","","","","","","1.33","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243357","18.4754","0.0008","18.4754","0.0008","18.4754","0.0008","90","","90","","90","","6306.4","0.5","298.15","","298.15","","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- Cu8 Na6 Se13 Sn3 -","- Cu8 Na6 Se13 Sn3 -","- Cu64 Na48 Se104 Sn24 -","8","0.0416667","","Teri, Gele; Li, Na; Bai, Sagala; E., Namila; Baiyin, Menghe","Synthesis, crystal structure, photocatalysis, photocurrent response: one-dimensional K2HgSnSe4 and three-dimensional Na6Cu8Sn3Se13","CrystEngComm","2021","23","35","6079","6085","10.1039/D1CE00821H","","","0.71073","MoKα","","0.0646","0.0442","","","0.0964","0.1068","","","","","","1.068","","","","has coordinates,has disorder","269694","2021-10-06","14:55:32",""
"7243358","11.774","0.0009","12.4266","0.0012","17.269","0.002","90","","90","","90","","2526.6","0.4","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(2-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0759","0.0589","","","0.152","0.1682","","","","","","1.033","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243359","12.7104","0.0007","10.0355","0.0005","23.7593","0.0016","90","","90","","90","","3030.6","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(3-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0411","0.0327","","","0.0856","0.09","","","","","","1.06","","","","has coordinates","268034","2021-08-11","22:45:54",""
"7243360","6.0734","0.0004","15.4472","0.001","27.066","0.002","90","","90","","90","","2539.3","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Amino-N-(3-methoxyphenyl)benzenesulfonamide","","- C13 H14 N2 O3 S -","- C13 H14 N2 O3 S -","- C104 H112 N16 O24 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0357","0.0312","","","0.0816","0.0852","","","","","","1.03","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243361","15.6551","0.0011","11.7852","0.0007","16.3034","0.0008","90","","90","","90","","3008","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-(4-(N-(2-methoxyphenyl)sulfamoyl)phenyl)acetamide","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C120 H128 N16 O32 S8 -","8","1","","Kowalik, Mateusz; Brzeski, Jakub; Gawrońska, Małgorzata; Kazimierczuk, Katarzyna; Makowski, Mariusz","Experimental and theoretical investigation of conformational states and noncovalent interactions in crystalline sulfonamides with a methoxyphenyl moiety","CrystEngComm","2021","","","","","10.1039/D1CE00869B","","x-ray","0.71073","MoKα","","0.0355","0.0321","","","0.0837","0.086","","","","","","1.049","","","","has coordinates","268034","2021-08-11","22:45:55",""
"7243362","9.606","0.0003","9.606","0.0003","23.5219","0.0013","90","","90","","120","","1879.7","0.13","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C2 H6 B12 K Li Na8 O30 -","- C2 H6 B12 K Li Na8 O30 -","- C6 H18 B36 K3 Li3 Na24 O90 -","3","0.166667","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.039","0.0356","","","0.0881","0.0899","","","","","","1.097","","","","has coordinates","269669","2021-10-06","14:48:16",""
"7243363","9.3037","0.0019","10.863","0.002","13.007","0.003","90","","96.316","0.006","90","","1306.6","0.5","153","2","153","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Cs5 H8 Li O25 -","- B12 Cs5 H6.5 Li O25 -","- B24 Cs10 H13 Li2 O50 -","2","1","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0742","0.0666","","","0.1496","0.1548","","","","","","1.005","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243364","18.5529","0.0005","10.8877","0.0003","13.0326","0.0003","90","","96.274","0.002","90","","2616.8","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B24 Cs10 H16 Li2 O50 -","- B24 Cs10 H16 Li2 O50 -","- B48 Cs20 H32 Li4 O100 -","2","0.5","","Qiu, Qi-Ming; Yang, Guo-Yu","Three mixed-alkaline-metal borates with {Li@B12Ox(OH)24−x} (x = 18, 22) clusters: from isolated oxoboron cluster to unusual layer","CrystEngComm","2021","23","37","6518","6525","10.1039/D1CE00910A","","","0.71073","MoKα","","0.0383","0.0368","","","0.082","0.0829","","","","","","1.089","","","","has coordinates","269669","2021-10-06","14:48:18",""
"7243365","23.5031","0.0007","14.9393","0.0004","33.0899","0.001","90","","106.97","0.003","90","","11112.6","0.6","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","ZnSALAMPY","","- C60 H56 N8 O12 Zn4 -","- C60 H56 N8 O12 Zn4 -","- C480 H448 N64 O96 Zn32 -","8","1","","Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya","From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02540F","","x-ray","0.71073","MoKα","","0.0901","0.0548","","","0.1375","0.1697","","","","","","1.029","","","","has coordinates","268045","2021-08-12","01:06:10",""
"7243366","27.9433","0.0017","13.2179","0.0008","31.7637","0.0017","90","","107.063","0.002","90","","11215.6","1.1","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H56 Cl2 N7 O17 Zn2 -","- C54 H56 Cl2 N8 O16 Zn2 -","- C432 H448 Cl16 N64 O128 Zn16 -","8","1","","Dasgupta, Souradip; Banerjee, Shrobona; Das, Sharmistha; Datta, Anindya","From fluorogen to fluorophore by elucidation and suppression of ultrafast excited state processes of a Schiff base","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02540F","","","0.71073","MoKα","","0.0878","0.0622","","","0.1607","0.1782","","","","","","1.099","","","","has coordinates","268045","2021-08-12","01:06:10",""
"7243367","12.2879","0.0011","13.4691","0.0013","15.8572","0.0015","67.268","0.009","89.258","0.008","63.953","0.009","2135.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H53 N5 Ni2 O10 S -","- C43 H53 N5 Ni2 O10 S -","- C86 H106 N10 Ni4 O20 S2 -","2","1","","Roy, Sourav; Sutradhar, Dipankar; Drew, Michael G. B.; Chattopadhyay, Shouvik","Theoretical insights on the encapsulated hydronium ion mediated supramolecular assembly of nickel(ii) Schiff base complexes: strong hydrogen bonding interaction due to charge transfer from the lone pair of oxygen to the antibonding orbital of the O–H bond","CrystEngComm","2021","23","38","6724","6735","10.1039/D1CE00855B","","","0.71073","MoKα","","0.1468","0.0798","","","0.1759","0.2123","","","","","","0.908","","","","has coordinates","270450","2021-11-06","19:59:59",""
"7243368","9.9901","0.0008","10.1477","0.0007","11.9438","0.0009","64.998","0.007","76.806","0.007","82.831","0.006","1067.84","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Eu N6 O8 -","- C21 H16 Eu N6 O8 -","- C42 H32 Eu2 N12 O16 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.046","0.0364","","","0.0696","0.0739","","","","","","0.976","","","","has coordinates","269667","2021-10-06","14:47:54",""
"7243369","8.2132","0.0005","9.955","0.0007","11.4034","0.0006","101.681","0.005","102.242","0.005","107.25","0.006","834.27","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N4 O7 Tb -","- C15 H10 N4 O7 Tb -","- C30 H20 N8 O14 Tb2 -","2","1","","Deng, Liming; Zhao, Huihui; Liu, Kang; Ma, Dingxuan","Efficient luminescence sensing in two lanthanide metal–organic frameworks with rich uncoordinated Lewis basic sites","CrystEngComm","2021","23","37","6591","6598","10.1039/D1CE00923K","","","0.7107","MoKα","","0.0382","0.0322","","","0.0716","0.0751","","","","","","1.076","","","","has coordinates","269667","2021-10-06","14:47:56",""
"7243370","6.5253","0.0016","11.9","0.003","13.029","0.003","90","","100.248","0.006","90","","995.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F2 N O3 -","- C9 H10 B F2 N O3 -","- C36 H40 B4 F8 N4 O12 -","4","1","","Wang, Huayi; Schrage, Briana; Takematsu, Kana; Ziegler, Christopher","Photophysical properties of a boron analogue of coumarin","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02386A","","","0.71073","MoKα","","0.0661","0.0428","","","0.0937","0.1042","","","","","","1.054","","","","has coordinates","268062","2021-08-13","01:01:55",""
"7243371","4.4398","0.0003","19.0129","0.0011","13.8958","0.001","90","","92.18","0.003","90","","1172.14","0.13","149.59","","149.59","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0747","0.0576","","","0.1428","0.1548","","","","","","1.027","","","","has coordinates","268694","2021-09-06","10:33:30",""
"7243372","25.1344","0.0012","3.8736","0.0001","11.9831","0.0005","90","","90","","90","","1166.68","0.08","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","","Feiler, Torvid; Bhattacharya, Biswajit; Michalchuk, Adam A. L.; Rhim, Seon-Young; Schröder, Vincent; List-Kratochvil, Emil; Emmerling, Franziska","Tuning the mechanical flexibility of organic molecular crystals by polymorphism for flexible optical waveguides","CrystEngComm","2021","23","34","5815","5825","10.1039/D1CE00642H","","","0.71073","MoKα","","0.0317","0.0238","","","0.0481","0.051","","","","","","1.01","","","","has coordinates","268694","2021-09-06","10:33:31",""
"7243373","19.1729","0.0001","5.8157","0.0001","22.9536","0.0001","90","","90","","90","","2559.41","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.039","0.019","","","","0.042","0.019","","","","","1.009","","","","has coordinates","269686","2021-10-06","14:53:55",""
"7243374","19.157","0.006","5.791","0.002","22.956","0.007","90","","90","","90","","2546.7","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N,N-dimethylurea 2,4-dinitrobenzoate 1:1","","- C10 H12 N4 O7 -","- C10 H12 N4 O7 -","- C80 H96 N32 O56 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.25","neutron","","0.0957","0.0886","","","0.2142","0.2274","","","","","","1.048","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243375","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0447","0.0263","","","0.0616","0.0678","","","","","","0.8748","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243376","3.8179","0.0001","13.2171","0.0002","12.408","0.0001","90","","94.614","0.001","90","","624.1","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N,N'-dimethylurea oxalic acid 2:1","","- C4 H9 N2 O3 -","- C4 H9 N2 O3 -","- C16 H36 N8 O12 -","4","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.055","0.019","","","","0.046","0.026","","","","","1.071","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243377","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C20 H24 N8 O14 -","- C20 H24 N8 O14 -","- C160 H192 N64 O112 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.0466","0.0279","","","0.084","0.0963","","","","","","0.7239","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243378","28.3783","0.0001","6.0988","0.0003","29.7998","0.0001","90","","92.511","0.0004","90","","5152.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N-dimethylurea 3,5-dinitrobenzoic acid 2:2","","- C20 H24 N8 O14 -","- C20 H24 N8 O14 -","- C160 H192 N64 O112 -","8","1","","Saunders, Lucy K.; Pallipurath, Anuradha R.; Gutmann, Matthias J.; Nowell, Harriott; Zhang, Ningjin; Allan, David R.","A quantum crystallographic approach to short hydrogen bonds.","CrystEngComm","2021","23","35","6180","6190","10.1039/d1ce00355k","","","0.6889","","","0.054","0.025","","","","0.053","0.025","","","","","1.028","","","","has coordinates","269686","2021-10-06","14:53:56",""
"7243379","6.8169","0.0005","7.3756","0.0005","8.5055","0.0006","105.538","0.002","90.512","0.002","111.867","0.002","379.54","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 Ni O6 -","- C5 H6 N2 Ni O6 -","- C10 H12 N4 Ni2 O12 -","2","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0421","0.0404","","","0.1039","0.1059","","","","","","1.067","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243380","7.7733","0.0005","9.819","0.0006","14.7763","0.001","90","","90","","90","","1127.82","0.13","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 Ni O5 -","- C10 H8 N4 Ni O5 -","- C40 H32 N16 Ni4 O20 -","4","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0468","0.042","","","0.1054","0.111","","","","","","1.0735","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243381","20.7074","0.0011","4.9052","0.0002","28.1381","0.0014","90","","90","","90","","2858.1","0.2","293","","293","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0435","","0.1074","0.0998","0.1074","","","","","","1.1689","","","","has coordinates","269680","2021-10-06","14:52:27",""
"7243382","20.3217","0.00004","4.7007","0.00001","27.4573","0.00003","90","","90","","90","","2622.89","0.008","293","","293","","","","760000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H43 N4 O4 Pt -","- C28 H43 N4 O4 Pt -","- C112 H172 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.08","0.08","","0.1652","0.1652","0.068","","","","","","1.0829","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243383","20.088","0.003","4.6778","0.0003","27.3616","0.0015","90","","90","","90","","2571.1","0.4","293","","293","","","","1430000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0827","0.0827","","0.1235","0.1235","0.1165","","","","","","1.0521","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243384","20.602","0.0017","4.8431","0.0001","27.9031","0.0007","90","","90","","90","","2784.1","0.2","293","","293","","","","140000","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H42 N4 O4 Pt -","- C28 H42 N4 O4 Pt -","- C112 H168 N16 O16 Pt4 -","4","1","","Richardson, Jonathan G.; Broadhurst, Edward T.; Benjamin, Helen; Morrison, Carole A.; Moggach, Stephen A.; Robertson, Neil","Evaluating the crystalline orbital hierarchy and high-pressure structure–property response of an extended-ligand platinum(ii) bis(1,2-dioximato) complex","CrystEngComm","2021","23","36","6359","6364","10.1039/D1CE00892G","","","0.71073","MoKα","","0.0603","0.0603","","0.0932","0.0932","0.0932","","","","","","1.1217","","","","has coordinates","269680","2021-10-06","14:52:28",""
"7243385","18.0232","0.0011","18.0621","0.0009","24.6633","0.0016","90","","90.917","0.004","90","","8027.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H58 Cd2 N14 O10 -","- C84 H58 Cd2 N14 O10 -","- C336 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1374","0.0632","","","0.138","0.1701","","","","","","0.985","","","","has coordinates","268106","2021-08-17","22:42:14",""
"7243386","18.151","0.005","18.053","0.005","24.485","0.007","90","","90.522","0.004","90","","8023","4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H58 Cd2 N14 O10 -","- C82 H58 Cd2 N14 O10 -","- C328 H232 Cd8 N56 O40 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Li, Guang-Jun; Chen, Li-Zhuang; Wang, Fang-Ming","TIPA-ligand-based luminescent Cd(ii) organic frameworks as an outstanding sensor for detecting Fe3+ in an aqueous medium","CrystEngComm","2021","23","32","5516","5521","10.1039/D1CE00499A","","","0.71073","MoKα","","0.1052","0.0525","","","0.1272","0.148","","","","","","0.976","","","","has coordinates","268106","2021-08-17","22:42:15",""
"7243387","14.0509","0.0007","10.1555","0.0005","17.9303","0.001","90","","103.03","0.002","90","","2492.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N3 O6 Zn -","- C27 H25 N3 O6 Zn -","- C108 H100 N12 O24 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.067","0.0559","","","0.1422","0.1521","","","","","","1.049","","","","has coordinates","269691","2021-10-06","14:54:53",""
"7243388","31.098","0.003","5.719","0.0004","23.853","0.002","90","","106.322","0.004","90","","4071.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N4 O7 Zn -","- C46 H44 N4 O7 Zn -","- C184 H176 N16 O28 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0871","0.0601","","","0.1325","0.1499","","","","","","1.04","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243389","33.183","0.007","8.9246","0.0018","15.409","0.003","90","","115.059","0.008","90","","4133.8","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H45 N7 O8 Zn -","- C43 H45 N7 O8 Zn -","- C172 H180 N28 O32 Zn4 -","4","0.5","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.123","0.0763","","","0.1496","0.1701","","","","","","1.059","","","","has coordinates,has disorder","269691","2021-10-06","14:54:55",""
"7243390","16.763","0.002","15.8859","0.0019","16.337","0.002","90","","108.155","0.004","90","","4133.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O10 Zn -","- C40 H52 N4 O10 Zn -","- C160 H208 N16 O40 Zn4 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.0996","0.0564","","","0.1332","0.16","","","","","","1.021","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243391","11.8153","0.0009","12.2801","0.0011","17.4928","0.0016","108.449","0.004","96.437","0.004","102.812","0.004","2301.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N5 O10 Zn -","- C48 H53 N5 O10 Zn -","- C96 H106 N10 O20 Zn2 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1056","0.0631","","","0.1551","0.1849","","","","","","1.054","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243392","16.8072","0.0009","16.4259","0.0008","24.7605","0.0015","90","","90","","90","","6835.7","0.6","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C74 H74 N8 O15 Zn2 -","- C74 H74 N8 O15 Zn2 -","- C296 H296 N32 O60 Zn8 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Steric crowding of a series of pyridine based ligands influencing the photophysical properties of Zn(II) complexes","CrystEngComm","2021","23","35","6199","6213","10.1039/D1CE00833A","","","0.71073","MoKα","","0.1321","0.0415","","","0.0739","0.1085","","","","","","0.92","","","","has coordinates","269691","2021-10-06","14:54:55",""
"7243393","11.4978","0.00015","11.4978","0.00015","5.62608","0.00008","90","","90","","90","","743.764","0.017","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B12 Cu5.994 Ni0.006 O24 -","- B12 Cu5.994 Ni0.006 O24 -","- B24 Cu11.988 Ni0.012 O48 -","2","0.125","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.18","1.58","","","","","","","has coordinates","270449","2021-11-06","19:59:36",""
"7243394","11.49731","0.00009","11.49731","0.00009","5.62593","0.00006","90","","90","","90","","743.681","0.011","300","","300","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","- B24 Cu11.88 Ni0.12 O48 -","1","0.0625","","Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill","Metastable growth and infrared spectra of CuB2O4:Ni single crystals","CrystEngComm","2021","23","38","6761","6768","10.1039/D1CE00729G","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.38","1.61","","","","","","","has coordinates","270449","2021-11-06","19:59:37",""
"7243395","10.9523","0.0003","11.63","0.0004","12.6749","0.0004","63.886","0.003","66.66","0.003","86.853","0.002","1316.98","0.09","99.99","0.1","99.99","0.1","","","","","","","","6","P 1","P 1","1","","","","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","- C43 H80 Cr K2 N6 O17 -","1","1","","Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao","Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W)","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01592C","","x-ray","1.54184","CuKα","","0.0526","0.0465","","","0.1313","0.1362","","","","","","1.048","","","","has coordinates","268132","2021-08-19","00:45:11",""
"7243396","10.884","0.0003","11.6242","0.0003","12.7269","0.0003","64.679","0.002","68.734","0.002","88.596","0.002","1339.97","0.07","100","0.1","100","0.1","","","","","","","","6","P 1","P 1","1","","","","- C41 H72 K2 Mo N4 O17 -","- C41 H72 K2 Mo N4 O17 -","- C41 H72 K2 Mo N4 O17 -","1","1","","Pei, Gerui; Shu, Cong-Cong; Li, Mengyang; Sun, Zhong-Ming; Yang, Tao","Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2− (TM = Cr, Mo, W)","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP01592C","","x-ray","1.54184","CuKα","","0.0317","0.0315","","","0.0827","0.0829","","","","","","1.034","","","","has coordinates","268132","2021-08-19","00:45:11",""
"7243397","10.7445","0.0003","19.4078","0.0005","8.7809","0.0002","90","","112.949","0.001","90","","1686.13","0.08","100","0.2","100","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0419","0.0334","","","0.0757","0.0808","","","","","","1.064","","","","has coordinates","268148","2021-08-20","01:12:46",""
"7243398","16.5878","0.0005","9.2549","0.0003","20.0075","0.0006","90","","90","","90","","3071.52","0.16","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C152 H160 N16 -","8","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0529","0.0398","","","0.09","0.0972","","","","","","1.056","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243399","11.1404","0.0004","14.6012","0.0006","9.2447","0.0003","90","","104.497","0.001","90","","1455.89","0.09","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 S2 -","- C17 H12 N2 S2 -","- C68 H48 N8 S8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0566","0.0427","","","0.0999","0.1065","","","","","","1.049","","","","has coordinates,has disorder","268148","2021-08-20","01:12:47",""
"7243400","9.2089","0.0002","19.8306","0.0003","10.4519","0.0002","90","","101.492","0.001","90","","1870.44","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 O2 -","- C23 H19 Br N2 O2 -","- C92 H76 Br4 N8 O8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0366","0.0262","","","0.0562","0.0603","","","","","","1.036","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243401","8.9585","0.0004","11.3947","0.0005","28.7859","0.0013","90","","90","","90","","2938.4","0.2","100","0.2","100","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H28 N4 O2 -","- C38 H28 N4 O2 -","- C152 H112 N16 O8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","1.54178","CuKα","","0.1249","0.0871","","","0.2137","0.2411","","","","","","1.017","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243402","10.237","0.0004","18.3683","0.0006","22.354","0.0008","90","","95.807","0.001","90","","4181.8","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H41 Cl3 N4 O4 -","- C47 H41 Cl3 N4 O4 -","- C188 H164 Cl12 N16 O16 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0857","0.0627","","","0.1759","0.1928","","","","","","1.054","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243403","6.312","0.0004","7.4057","0.0005","8.1661","0.0005","108.309","0.005","109.791","0.004","92.81","0.005","335.79","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","- C16 H8 N4 O2 -","1","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","x-ray","1.54178","CuKα","","0.1149","0.0934","","","0.1831","0.1915","","","","","","1.29","","","","has coordinates","268153","2021-08-20","22:40:43",""
"7243404","7.0977","0.0003","7.7054","0.0004","10.1834","0.0005","79.516","0.002","85.59","0.003","70.03","0.003","514.64","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","- C24 H18 N4 O6 -","1","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","","1.54178","CuKα","","0.1391","0.1137","","","0.2756","0.2917","","","","","","1.125","","","","has coordinates","268153","2021-08-20","22:40:44",""
"7243405","18.781","0.0012","7.6668","0.0005","17.9141","0.0008","90","","112.728","0.003","90","","2379.2","0.2","115","0.1","115","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O8 -","- C26 H22 N4 O8 -","- C104 H88 N16 O32 -","4","0.5","","Sanda Bawa, Ali; Meunier-Prest, Rita; Rousselin, Yoann; Couvercelle, Jean-Pierre; Christine, Stern; Malézieux, Bernard; Bouvet, Marcel","Series of charge transfer complexes obtained as crystals in a confined environment","CrystEngComm","2021","","","","","10.1039/D1CE00929J","","x-ray","0.71073","MoKα","","0.0746","0.054","","","0.1018","0.1134","","","","","","1.104","","","","has coordinates","268153","2021-08-20","22:40:44",""
"7243406","10.146","0.002","13.915","0.002","14.641","0.012","90","","96.29","0.07","90","","2054.6","1.8","290.6","0.3","290.6","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 N2 O6 S Zn -","- C23 H14 N2 O6 S Zn -","- C92 H56 N8 O24 S4 Zn4 -","4","1","","Li, Zhao-Hao; Xue, Li-Ping; Liu, Si-Rui; Wang, Si-Jin","Construction of a viologen-derived 2D material with photochromism, photoswitchable luminescence and inkless and erasable prints via sunlight irradiation","CrystEngComm","2021","23","36","6315","6321","10.1039/D1CE00900A","","x-ray","0.71073","MoKα","","0.0469","0.036","","","0.0757","0.0797","","","","","","1.068","","","","has coordinates","269679","2021-10-06","14:52:15",""
"7243407","8.125","0.0005","13.7648","0.0011","15.2241","0.0011","90","","90","","90","","1702.6","0.2","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0974","0.0906","","","0.259","0.266","","","","","","1.039","","","","has coordinates,has disorder","269674","2021-10-06","14:51:03",""
"7243408","11.0804","0.001","18.793","0.002","7.5692","0.0003","90","","98.945","0.006","90","","1557","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H17.322 N2 O2 -","- C76 H69.288 N8 O8 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0573","0.0447","","","0.0916","0.0995","","","","","","1.067","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243409","12.9151","0.0009","14.7249","0.0009","17.8978","0.0012","76.037","0.002","76.919","0.002","82.899","0.002","3208.8","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H58 Cu2 N4 O10.5 -","- C84 H58 Cu2 N4 O10.5 -","- C168 H116 Cu4 N8 O21 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0875","0.0492","","","0.1139","0.1341","","","","","","1.032","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243410","11.41009","0.00012","16.18167","0.00018","16.91043","0.00019","90","","92.4308","0.001","90","","3119.44","0.06","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O5 Zn -","- C41 H28 N2 O5 Zn -","- C164 H112 N8 O20 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0805","0.0823","","","","","","1.022","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243411","7.639","0.002","14.165","0.004","14.697","0.004","95.51","0.02","104.51","0.02","96.46","0.02","1517","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H30 N2 O4 -","- C41 H30 N2 O4 -","- C82 H60 N4 O8 -","2","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.1475","0.0907","","","0.2117","0.2438","","","","","","1.141","","","","has coordinates,has disorder","269674","2021-10-06","14:51:04",""
"7243412","11.3049","0.0004","17.2598","0.0007","15.7727","0.0006","90","","92.748","0.0015","90","","3074","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N2 O4 Zn -","- C41 H28 N2 O4 Zn -","- C164 H112 N8 O16 Zn4 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0903","0.0482","","","0.0917","0.1069","","","","","","1.012","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243413","14.023","0.003","15.366","0.003","14.628","0.003","90","","109.68","0.03","90","","2967.9","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C160 H112 N8 O16 -","4","0.5","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","","0.71073","MoKα","","0.0543","0.0364","","","0.0956","0.1008","","","","","","1.035","","","","has coordinates","269674","2021-10-06","14:51:04",""
"7243414","16.2034","0.0005","9.9224","0.0003","10.1872","0.0003","90","","102.899","0.002","90","","1596.53","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N5 O2 S -","- C14 H17 N5 O2 S -","- C56 H68 N20 O8 S4 -","4","1","","Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones","RSC Advances","2021","11","45","28395","28400","10.1039/D1RA05568B","","","0.71073","MoKα","","0.0577","0.0417","","","0.1065","0.1167","","","","","","1.035","","","","has coordinates","268180","2021-08-24","01:18:40",""
"7243415","9.7481","0.0005","9.6628","0.0004","30.3545","0.0014","90","","90","","90","","2859.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N5 O S -","- C13 H15 N5 O S -","- C104 H120 N40 O8 S8 -","8","1","","Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones","RSC Advances","2021","11","45","28395","28400","10.1039/D1RA05568B","","","0.71073","MoKα","","0.0723","0.0418","","","0.0926","0.1106","","","","","","1.04","","","","has coordinates","268180","2021-08-24","01:18:52",""
"7243416","30.983","0.004","30.983","0.004","31.523","0.007","90","","90","","90","","30260","9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1048","0.0631","","","0.1582","0.1943","","","","","","1.006","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243417","31.0292","0.0005","31.0292","0.0005","31.3898","0.0006","90","","90","","90","","30222.5","0.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","0.71073","MoKα","","0.0851","0.0427","","","0.0835","0.0895","","","","","","0.807","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243418","31.008","0.004","31.008","0.004","30.85","0.004","90","","90","","90","","29662","7","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H294 Cl10 N16 O179 Y14 -","- C80 H112 Cl6 N16 O108 Y14 -","- C320 H448 Cl24 N64 O432 Y56 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.0514","0.0432","","","0.1208","0.1296","","","","","","1.032","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243419","31.0353","0.0011","31.0353","0.0011","31.3981","0.0012","90","","90","","90","","30242.3","1.9","120","","120","","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C80 H318 Cl10 Dy14 N16 O191 -","- C80 H112 Cl6 Dy14 N16 O108 -","- C320 H448 Cl24 Dy56 N64 O432 -","4","0.25","","Lu, Tian-Qi; Yin, Jia-Jia; Chen, Cheng; Shi, Hai-Yan; Zheng, Jun; Liu, Zhengjie; Fang, Xiaolong; Zheng, Xiu-Ying","Two pairs of chiral lanthanide–oxo clusters Ln14 induced by amino acid derivatives","CrystEngComm","2021","23","39","6923","6929","10.1039/D1CE00948F","","","1.54186","CuKα","","0.1078","0.0976","","","0.2507","0.2673","","","","","","1.068","","","","has coordinates,has disorder","270435","2021-11-06","19:54:24",""
"7243420","20.206","0.007","6.6378","0.0019","20.461","0.005","90","","116.74","0.02","90","","2450.8","1.3","298","","298","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C25 H32 N2 O7 -","- C25 H32 N2 O7 -","- C100 H128 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0927","0.0708","","","0.1952","0.2094","","","","","","1.003","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243421","6.943","0.003","17.066","0.006","20.466","0.008","90","","90","","90","","2425","1.7","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0824","0.0438","","","0.0841","0.0942","","","","","","0.831","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243422","19.945","0.01","6.698","0.004","18.303","0.01","90","","94.98","0.009","90","","2436","2","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H29 N2 O7 -","- C23 H29 N2 O7 -","- C92 H116 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1203","0.0832","","","0.2214","0.2455","","","","","","0.945","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243423","21.387","0.01","6.419","0.003","18.467","0.008","90","","121.541","0.007","90","","2160.7","1.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H25 N2 O7 -","- C21 H25 N2 O7 -","- C84 H100 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1078","0.0728","","","0.1904","0.2199","","","","","","0.95","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243424","6.6594","0.0003","11.845","0.0005","26.345","0.0013","90","","90","","90","","2078.11","0.16","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0478","0.0461","","","0.1205","0.1224","","","","","","1.095","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243425","8.978","0.004","9.713","0.005","28.903","0.014","90","","90","","90","","2520","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1296","0.0495","","","0.0916","0.1102","","","","","","0.766","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243426","6.5187","0.0003","10.9299","0.0006","17.6311","0.0009","99.531","0.002","97.444","0.002","106.711","0.002","1165.47","0.1","100","","99.98","","","","","","","","","4","P 1","P 1","1","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","1","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.054","0.0444","","","0.1041","0.1131","","","","","","1.05","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243427","6.722","0.002","19.671","0.006","20.29","0.006","90","","90","","90","","2682.9","1.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O7 -","- C24 H28 F6 N2 O7 -","- C96 H112 F24 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.0591","","","0.1579","0.1813","","","","","","0.907","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243428","6.5291","0.0019","19.368","0.006","20.431","0.006","90","","90","","90","","2583.6","1.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C112 H136 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.051","","","0.0819","0.0982","","","","","","0.825","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243429","15.5984","0.0005","15.7897","0.0005","23.5416","0.0007","90","","90","","90","","5798.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H66 N6 O15 S2 -","- C58 H66 N6 O15 S2 -","- C232 H264 N24 O60 S8 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0468","0.0447","","","0.1184","0.1203","","","","","","1.035","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243430","30.0476","0.0016","6.6972","0.0003","21.922","0.0012","90","","127.752","0.007","90","","3488","0.5","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","AS-CND","","- C38 H50 N2 O9 -","- C38 H50 N2 O9 -","- C152 H200 N8 O36 -","4","1","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","","1.54178","CuKα","","0.0791","0.0692","","","0.155","0.16","","","","","","1.077","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243431","6.7848","0.0003","10.6171","0.0005","15.4805","0.0008","98.689","0.002","97.586","0.002","108.323","0.002","1027.12","0.09","100","","100","","","","","","","","","5","P 1","P 1","1","","QN HCl 2H2O","","- C20 H29 Cl N2 O4 -","- C20 H29 Cl N2 O4 -","- C40 H58 Cl2 N4 O8 -","2","2","","Jiang, Qi; Hirsh, David A.; Tu, Yifan; Luo, Laibin","Multicomponent crystals of an artemisinin derivative and cinchona alkaloids for use as antimalarial drugs","CrystEngComm","2021","23","39","6843","6847","10.1039/D1CE00974E","","x-ray","1.54178","CuKα","","0.0816","0.0804","","","0.2147","0.2213","","","","","","1.099","","","","has coordinates","270434","2021-11-06","19:53:17",""
"7243432","7.573","0.0017","11.91","0.003","15.396","0.004","69.978","0.004","81.094","0.004","78.524","0.004","1272.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N3 O3 Se -","- C25 H23 N3 O3 Se -","- C50 H46 N6 O6 Se2 -","2","1","","Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00168J","","","0.71073","MoKα","","0.1206","0.0552","","","0.1199","0.1394","","","","","","0.91","","","","has coordinates","268195","2021-08-25","00:04:56",""
"7243433","9.364","0.002","10.472","0.002","12.433","0.003","72.327","0.005","75.582","0.005","80.655","0.005","1120.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N3 O3 Se -","- C25 H23 N3 O3 Se -","- C50 H46 N6 O6 Se2 -","2","1","","Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00168J","","","0.71073","MoKα","","0.1163","0.0538","","","0.1106","0.1367","","","","","","1.006","","","","has coordinates","268195","2021-08-25","00:04:57",""
"7243434","7.89","0.004","9.75","0.005","9.847","0.005","96.739","0.006","103.567","0.006","91.493","0.006","730.2","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O3 -","- C16 H15 N3 O3 -","- C32 H30 N6 O6 -","2","1","","Lima, Daisy J. B.; Almeida, Renata G.; Jardim, Guilherme A. M.; Barbosa, Breno P. A.; Santos, Augusto C. C.; Valença, Wagner O.; Scheide, Marcos R.; Gatto, Claudia C.; de Carvalho, Guilherme G. C.; Costa, Pedro M. S.; Pessoa, Claudia; Pereira, Cynthia L. M.; Jacob, Claus; Braga, Antonio L.; da Silva Júnior, Eufrânio N.","It takes two to tango: synthesis of cytotoxic quinones containing two redox active centers with potential antitumor activity","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00168J","","","0.71073","MoKα","","0.1096","0.0514","","","0.1213","0.1505","","","","","","1.015","","","","has coordinates","268195","2021-08-25","00:04:57",""
"7243435","11.0719","0.0007","13.1489","0.001","11.7587","0.0006","90","","98.256","0.002","90","","1694.13","0.19","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","- C72 H56 Co4 N12 O20 -","1","0.25","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1398","0.0635","","","0.0912","0.1158","","","","","","1.064","","","","has coordinates","269681","2021-10-06","14:52:36",""
"7243436","9.4348","0.0014","9.9705","0.0016","11.5494","0.0018","68.346","0.003","83.463","0.003","76.625","0.003","981.9","0.3","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Co N3 O5 -","- C22 H14 Co N3 O5 -","- C44 H28 Co2 N6 O10 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.0582","0.0444","","","0.1305","0.1545","","","","","","1.151","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243437","10.0359","0.0006","14.6155","0.001","19.1561","0.0014","76.537","0.002","89.864","0.003","89.195","0.002","2732.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Co3 N8 O17 -","- C50 H34 Co3 N8 O17 -","- C100 H68 Co6 N16 O34 -","2","1","","Wei, Yaoyi; Zhu, Bin; Wang, Jinmiao; Wang, Lulu; Wu, Ruixue; Liu, Wenbo; Ma, Bingxiang; Yang, Dong; Fan, Yuhua; Zhang, Xia","A series of novel Co(ii)-based MOFs: syntheses, structural diversity, and various properties","CrystEngComm","2021","23","36","6376","6387","10.1039/D1CE00783A","","","0.71073","MoKα","","0.1011","0.064","","","0.1601","0.1791","","","","","","1.053","","","","has coordinates","269681","2021-10-06","14:52:37",""
"7243438","7.908","0.0002","9.0612","0.0002","18.642","0.0003","95.133","0.002","100.853","0.002","107.104","0.002","1238.88","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","- C54 H42 Cd3 O24 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","x-ray","1.54184","CuKα","","0.0365","0.0349","","","0.0909","0.0946","","","","","","1.064","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243439","6.1936","0.0005","15.2015","0.0012","18.859","0.0014","71.913","0.001","89.28","0.001","89.947","0.002","1687.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","- C78 H52 Cd2 N4 O22 -","1","0.5","","Du, Lin; Lu, Lu; Shi, Chuncheng; Wang, Hong-Yan; Wang, Jun; Singh, Amita; Kumar, Abhinav","New Cd(ii) coordination polymers bearing Y-shaped tricarboxylate ligands as photocatalysts for dye degradation","CrystEngComm","2021","23","36","6400","6408","10.1039/D1CE00640A","","","0.71073","MoKα","","0.0905","0.0501","","","0.0995","0.128","","","","","","1.01","","","","has coordinates","269678","2021-10-06","14:52:08",""
"7243440","7.4489","0.0012","7.4086","0.0012","32.085","0.005","90","","93.571","0.008","90","","1767.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Fe N2 S -","- C22 H14 Fe N2 S -","- C88 H56 Fe4 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.1247","0.0862","","","0.1693","0.1837","","","","","","1.176","","","","has coordinates","268223","2021-08-26","01:23:58",""
"7243441","12.0436","0.001","14.8358","0.0012","7.5107","0.0006","90","","91.413","0.004","90","","1341.58","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Fe I N2 S -","- C14 H9 Fe I N2 S -","- C56 H36 Fe4 I4 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0503","0.0297","","","0.0574","0.0669","","","","","","1.069","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243442","7.4925","0.0019","7.5319","0.0016","11.801","0.002","102.546","0.017","103.317","0.017","92.575","0.018","629.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl Fe N2 S -","- C14 H9 Cl Fe N2 S -","- C28 H18 Cl2 Fe2 N4 S2 -","2","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0177","0.0168","","","0.0437","0.0445","","","","","","1.079","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243443","11.395","0.0011","19.7263","0.0018","7.6124","0.0008","90","","92.122","0.006","90","","1710","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Fe N2 S -","- C22 H14 Fe N2 S -","- C88 H56 Fe4 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0499","0.0317","","","0.0649","0.075","","","","","","1.104","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243444","9.7781","0.0009","21.088","0.002","11.3518","0.001","90","","99.46","0.004","90","","2308.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl Fe N2 S -","- C12 H9 Cl Fe N2 S -","- C96 H72 Cl8 Fe8 N16 S8 -","8","2","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","","0.71073","MoKα","","0.0314","0.0255","","","0.063","0.0679","","","","","","1.088","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243445","9.8936","0.0006","8.8451","0.0005","23.085","0.0013","90","","99.728","0.005","90","","1991.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe2 N2 S -","- C26 H18 Fe2 N2 S -","- C104 H72 Fe8 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0343","0.0287","","","0.0681","0.0709","","","","","","1.035","","","","has coordinates,has disorder","268223","2021-08-26","01:23:59",""
"7243446","11.9324","0.001","12.4694","0.0012","12.4948","0.001","90","","116.905","0.004","90","","1657.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br F12 O2 -","- C14 H9 Br F12 O2 -","- C56 H36 Br4 F48 O8 -","4","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","","0.0573","0.0464","","","0.1265","0.1341","","","","","","1.075","","","","has coordinates","268224","2021-08-26","01:25:26",""
"7243447","6.4519","0.0004","14.303","0.0009","11.4008","0.0006","90","","92.203","0.004","90","","1051.31","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 F12 O2 P -","- C20 H13 F12 O2 P -","- C40 H26 F24 O4 P2 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","","1.54178","CuKα","","0.0583","0.0508","","","0.1294","0.1345","","","","","","1.086","","","","has coordinates,has disorder","268224","2021-08-26","01:25:26",""
"7243448","13.9233","0.0007","14.4415","0.0009","12.9349","0.0007","90","","100.826","0.002","90","","2554.6","0.2","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H7 Br F6 O3 -","- C11 H7 Br F6 O3 -","- C88 H56 Br8 F48 O24 -","8","2","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","","0.0251","0.023","","","0.0533","0.0541","","","","","","0.833","","","","has coordinates","268224","2021-08-26","01:25:26",""
"7243449","7.4093","0.0013","8.2707","0.0014","18.706","0.003","101.293","0.004","100.471","0.005","94.032","0.006","1098.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 Br O2 -","- C26 H29 Br O2 -","- C52 H58 Br2 O4 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","K-L~3~","0.0553","0.0465","","","0.1194","0.1231","","","","","","1.092","","","","has coordinates","268224","2021-08-26","01:25:27",""
"7243450","10.515","0.005","15.037","0.008","22.719","0.011","100.8","0.03","94.78","0.02","103.351","0.019","3403","3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H87 O6 P3 -","- C78 H87 O6 P3 -","- C156 H174 O12 P6 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","K-L~3~","0.1154","0.0788","","","0.166","0.1799","","","","","","1.096","","","","has coordinates","268224","2021-08-26","01:25:27",""
"7243451","25.85","0.005","13.375","0.003","27.037","0.005","90","","91.89","0.03","90","","9343","3","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C17 H88 Ce2.5 N2.5 O91 P4 W16 -","- C14 H16 Ce2.5 N O85.5 P4 W16 -","- C56 H64 Ce10 N4 O342 P16 W64 -","4","1","","Wang, Wenyan; Izarova, Natalya V.; van Leusen, Jan; Kögerler, Paul","A phosphonate–lanthanoid polyoxometalate coordination polymer: {Ce2P2W16O60L2}n zipper chains","CrystEngComm","2021","23","35","5989","5993","10.1039/D1CE00896J","","","0.71073","MoKα","","0.0708","0.0692","","","0.1891","0.1919","","","","","","1.019","","","","has coordinates,has disorder","269689","2021-10-06","14:54:23",""
"7243452","7.177","0.0014","7.455","0.0015","11.03","0.002","105.64","0.03","97.57","0.03","90.8","0.03","562.6","0.2","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","- C24 H28 N4 O2 S2 -","1","0.5","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.63","synchrotron","","0.1284","0.0943","","","0.2936","0.317","","","","","","1.115","","","","has coordinates,has disorder","268334","2021-08-31","22:44:22",""
"7243453","6.633","0.0013","8.53","0.0017","19.929","0.004","90","","94.24","0.03","90","","1124.5","0.4","220","2","220","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N4 O2 S -","- C24 H30 N4 O2 S -","- C48 H60 N8 O4 S2 -","2","1","","Gayathri, Parthasarathy; Kanagajothi, Karuppaiah; Nag, Probal; Anand, Neethu; Reddy, Vennapusa Sivaranjana; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Symmetrical and unsymmetrical thiazole based ESIPT derivatives: Highly selective fluorescence sensing of Cu2+ and structure controlled reversible mechanofluorochromism","CrystEngComm","2021","","","","","10.1039/D1CE00927C","","","0.61","synchrotron","","0.0583","0.0545","","","0.1556","0.1585","","","","","","1.051","","","","has coordinates","268334","2021-08-31","22:44:23",""
"7243454","8.1467","0.0001","21.3962","0.0003","20.1733","0.0003","90","","90.509","0.002","90","","3516.24","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 F12 N4 O10 S -","- C32 H18 F12 N4 O10 S -","- C128 H72 F48 N16 O40 S4 -","4","1","","Broumidis, Emmanouil; Jones, Callum M. S.; Koyioni, Maria; Kourtellaris, Andreas; Lloyd, Gareth O.; Marques-Hueso, Jose; Koutentis, Panayiotis A.; Vilela, Filipe","8,8′-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)bis(quinolin-4(1H)-one): a twisted photosensitizer with AIE properties","RSC Advances","2021","11","47","29102","29107","10.1039/D1RA06263H","","","0.71065","MoKα","","0.0589","0.0513","","","0.138","0.1461","","","","","","1.035","","","","has coordinates,has disorder","268359","2021-09-02","01:10:20",""
"7243455","8.748","0.0008","8.7951","0.0008","15.4152","0.0018","96.274","0.009","97.889","0.009","98.627","0.008","1151.3","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C56 H48 N4 O10 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.1562","0.0612","","","0.072","0.0916","","","","","","1.04","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243456","7.9646","0.0015","12.144","0.002","14.685","0.003","112.558","0.002","90.032","0.003","99.526","0.002","1290.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N4 O4 -","- C31 H26 N4 O4 -","- C62 H52 N8 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0876","0.0543","","","0.1512","0.1745","","","","","","1.029","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243457","8.8551","0.0007","9.9074","0.0007","14.9941","0.0012","103.891","0.006","95.539","0.006","112.603","0.007","1152.44","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H21 N2 O4 -","- C31 H21 N2 O4 -","- C62 H42 N4 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.086","0.0582","","","0.1416","0.1642","","","","","","1.042","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243458","9.065","0.001","12.112","0.002","13.231","0.003","110.005","0.017","94.095","0.012","105.378","0.013","1294.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N3 O4 -","- C35 H25 N3 O4 -","- C70 H50 N6 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.193","0.087","","","0.1564","0.205","","","","","","1.009","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243459","7.6359","0.0005","13.6124","0.0009","14.8657","0.0008","103.866","0.005","103.123","0.005","100.924","0.005","1411.53","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 N6 O4 -","- C34 H26 N6 O4 -","- C68 H52 N12 O8 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.0883","0.0538","","","0.1294","0.1515","","","","","","1.017","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243460","7.1375","0.0007","12.3754","0.0011","19.214","0.0016","94.647","0.007","98.852","0.007","98.195","0.008","1650.6","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H29 N5 O9 -","- C33 H29 N5 O9 -","- C66 H58 N10 O18 -","2","1","","Sendh, Jagajiban; Singh, Munendra Pal; Baruah, Jubaraj B.","5-[(Pyren-9-ylmethyl)amino]isophthalic acid with nitrogen containing heterocycles: stacking, N–H⋯π interactions and photoluminescence","CrystEngComm","2021","23","39","6952","6966","10.1039/D1CE01099A","","","0.71073","MoKα","","0.2393","0.1364","","","0.283","0.3282","","","","","","1.069","","","","has coordinates","270430","2021-11-06","19:51:57",""
"7243461","9.7458","0.0003","9.7458","0.0003","74.416","0.002","90","","90","","90","","7068.1","0.4","340","1","340","0.1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","0.25","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1497","0.0747","","","0.1741","0.2294","","","","","","0.93","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243462","9.478","0.0003","9.9772","0.0003","74.311","0.002","91.03","0.003","90.423","0.002","90.136","0.003","7025.8","0.4","315","1","315","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1607","0.0847","","","0.1527","0.1954","","","","","","1.043","","","","has coordinates,has disorder","269671","2021-10-06","14:49:34",""
"7243463","9.31052","0.00018","9.9603","0.0002","74.2011","0.0015","91.3016","0.0016","90.4551","0.0016","90.3631","0.0016","6878.9","0.2","180","1","180","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1027","0.0776","","","0.1211","0.1314","","","","","","1.113","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243464","9.38534","0.00017","9.99249","0.00019","74.2113","0.0014","91.1767","0.0015","90.4551","0.0015","90.1829","0.0015","6958","0.2","280","1","280","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0988","0.0593","","","0.1022","0.1221","","","","","","0.991","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243465","9.28488","0.00018","9.9294","0.0002","74.1606","0.0014","91.2956","0.0017","90.4755","0.0015","90.4013","0.0018","6834.9","0.2","130","1","130","1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.0974","0.0719","","","0.1386","0.1494","","","","","","1.089","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243466","9.3549","0.0002","9.9886","0.0003","74.2441","0.0018","91.25","0.002","90.478","0.002","90.243","0.002","6935.6","0.3","240","1","240","0.1","","","","","","","","6","I -1","-I 1","2","","","","- C46 H36 Br4 Cl2 S32 Zn -","- C46 H36 Br4 Cl2 S32 Zn -","- C184 H144 Br16 Cl8 S128 Zn4 -","4","","","Shilov, Gennady V.; Zhilyaeva, Elena I.; Aldoshin, Sergey M.; Flakina, Alexandra M.; Lyubovskii, Rustem B.; Pesotskii, Sergei I.; Lyubovskaya, Rimma N.","Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature","CrystEngComm","2021","23","37","6620","6625","10.1039/D1CE00902H","","","0.7107","MoKα","","0.1116","0.0678","","","0.1254","0.1432","","","","","","1.027","","","","has coordinates","269671","2021-10-06","14:49:34",""
"7243467","7.3905","0.0002","8.8156","0.0003","16.4817","0.0005","90","","90","","90","","1073.81","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 Ca3 K2 O12 -","- C4 Ca3 K2 O12 -","- C16 Ca12 K8 O48 -","4","1","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D.","High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4","CrystEngComm","2021","23","38","6675","6681","10.1039/D1CE00882J","","x-ray","0.71073","MoKα","","0.0358","0.0266","","","0.0532","0.0558","","","","1.351","1.351","1.3081","","","","has coordinates","270447","2021-11-06","19:59:15",""
"7243468","9.0827","0.0004","9.5303","0.0005","15.2656","0.0005","81.275","0.004","78.069","0.003","85.015","0.004","1275.79","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 2,4-dicarboxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,4-dicarboxybenzoate","","- C31 H23 Cl N2 O6 -","- C31 H23 Cl N2 O6 -","- C62 H46 Cl2 N4 O12 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.041","0.0365","","","0.0917","0.0951","","","","","","1.038","","","","has coordinates","270436","2021-11-06","19:54:37",""
"7243469","9.1618","0.0007","10.0986","0.0008","14.4711","0.001","80.377","0.006","78.44","0.006","86.267","0.006","1292.58","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-dinitrosalicylate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2-hydroxy-3,5-dinitrobenzoate","","- C29 H21 Cl N4 O7 -","- C29 H21 Cl N4 O7 -","- C58 H42 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1457","0.0657","","","0.1546","0.196","","","","","","1.027","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243470","9.4734","0.0004","12.1901","0.0006","13.6109","0.0007","78.39","0.004","71.852","0.004","89.207","0.004","1461.05","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 4-Carboxy-1-naphthoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 4-Carboxy-1-naphthoate","","- C36 H31 Cl N2 O5 -","- C36 H31 Cl N2 O5 -","- C72 H62 Cl2 N4 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0767","0.0653","","","0.1733","0.1862","","","","","","1.049","","","","has coordinates,has disorder","270436","2021-11-06","19:54:40",""
"7243471","8.7637","0.0005","9.2884","0.0005","15.7219","0.0008","106.107","0.005","103.639","0.005","90.928","0.005","1190.29","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3-Nitrobenzoic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole 3-Nitrobenzoic acid","","- C29 H22 Cl N3 O4 -","- C29 H22 Cl N3 O4 -","- C58 H44 Cl2 N6 O8 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0958","0.0674","","","0.1702","0.1921","","","","","","1.036","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243472","8.6793","0.0003","10.6795","0.0006","13.6524","0.0007","95.603","0.004","95.284","0.004","97.549","0.004","1241.41","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Indole-6-carboxylic acid","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole Indole-6-carboxylic acid","","- C31 H24 Cl N3 O2 -","- C31 H24 Cl N3 O2 -","- C62 H48 Cl2 N6 O4 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.076","0.0538","","","0.122","0.1395","","","","","","1.045","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243473","9.0175","0.0004","9.9958","0.0005","16.7343","0.0008","86.397","0.004","75.472","0.004","86.959","0.004","1456.18","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazole Syringic acid","1-((2-chlorophenyl)diphenylmethyl)-1h-imidazol 4-Hydroxy-3,5-dimethoxybenzoic acid","","- C33 H30 Cl N3 O5 -","- C33 H30 Cl N3 O5 -","- C66 H60 Cl2 N6 O10 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.0571","0.0475","","","0.1192","0.1273","","","","","","1.05","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243474","21.0772","0.0007","8.2738","0.0003","13.8978","0.0005","90","","90","","90","","2423.62","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Clotrimazole 2,3-dihydroxybenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 2,3-dihydroxybenzoate","","- C29 H23 Cl N2 O4 -","- C29 H23 Cl N2 O4 -","- C116 H92 Cl4 N8 O16 -","4","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0649","0.0507","","","0.1065","0.1188","","","","","","1.076","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243475","11.7142","0.0006","15.503","0.0007","16.6489","0.0008","69.389","0.004","89.642","0.004","89.69","0.004","2829.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Clotrimazolium Pyromellitate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium trihydrogen 1,2,4,5-Benzenetetracarboxylate","","- C32 H23 Cl N2 O8 -","- C32 H23 Cl N2 O8 -","- C128 H92 Cl4 N8 O32 -","4","2","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","","0.71073","MoKα","","0.1314","0.0705","","","0.1596","0.2005","","","","","","1.029","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243476","8.8976","0.0004","12.8529","0.0007","13.9071","0.0007","102.931","0.004","98.041","0.004","106.569","0.004","1449.97","0.14","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","Clotrimazole 3,5-Dinitrobenzoate","1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazol-3-ium 3,5-Dinitrobenzoate","","- C31 H27 Cl N4 O7 -","- C31 H27 Cl N4 O7 -","- C62 H54 Cl2 N8 O14 -","2","1","","Li, Chang; Wu, Di; Li, Jiulong; Ji, Xu; Qi, Luguang; Sun, Qin; Wang, Aiyu; Xie, Chuang; Gong, Junbo; Chen, Wei","Multicomponent crystals of clotrimazole: a combined theoretical and experimental study","CrystEngComm","2021","23","39","6977","6993","10.1039/D1CE00934F","","x-ray","0.71073","MoKα","","0.0648","0.0482","","","0.1157","0.128","","","","","","1.03","","","","has coordinates","270436","2021-11-06","19:54:40",""
"7243477","23.728","0.003","13.165","0.002","30.085","0.006","90","","90","","90","","9398","3","175","2","175","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H12 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.0562","0.0456","","","0.1368","0.1425","","","","","","1.052","","","","has coordinates","268482","2021-09-04","19:55:38",""
"7243478","15.135","0.004","22.028","0.005","18.37","0.004","90","","101.248","0.004","90","","6007","2","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd O7 P -","- C21 H12 Cd O7 P -","- C168 H96 Cd8 O56 P8 -","8","2","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","","0.71073","MoKα","","0.085","0.044","","","0.111","0.119","","","","","","1.004","","","","has coordinates","268482","2021-09-04","19:55:39",""
"7243479","13.0069","0.0003","14.6783","0.0003","10.1587","0.0003","90","","107.854","0.003","90","","1846.09","0.08","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H28 I6 N6 Pb -","- C30 H28 I6 N6 Pb -","- C60 H56 I12 N12 Pb2 -","2","0.25","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.0352","0.0295","","","0.07","0.0722","","","","","","1.069","","","","has coordinates","268488","2021-09-06","05:33:49",""
"7243480","22.4598","0.0005","12.1864","0.0002","14.4057","0.0003","90","","90","","90","","3942.9","0.14","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C120 H88 I24 N24 Pb12 -","4","0.5","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.0452","0.0273","","","0.0445","0.0489","","","","","","1.085","","","","has coordinates","268488","2021-09-06","05:33:50",""
"7243481","12.8492","0.0002","12.89296","0.00018","15.7151","0.0002","86.4469","0.0011","70.5166","0.0013","72.3962","0.0013","2337.22","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 I18 N12 Pb5 -","- C60 H52 I18 N12 Pb5 -","- C60 H52 I18 N12 Pb5 -","1","0.5","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.053","0.0325","","","0.0593","0.0645","","","","","","0.971","","","","has coordinates","268488","2021-09-06","05:33:50",""
"7243482","20.415","0.003","5.9806","0.0008","15.39","0.002","90","","105.234","0.002","90","","1813","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N O4 -","- C22 H14 Cl N O4 -","- C88 H56 Cl4 N4 O16 -","4","1","","Chen, Rongxiang; Liu, Bing; Li, Wenbo; Wang, Kai-Kai; Miao, Changqing; Li, Zhizhuang; Lv, Yingjie; Liu, Lantao","Synthesis of N-alkoxyphthalimide derivatives via PIDA-promoted cross dehydrogenative coupling reaction","RSC Advances","2021","11","14","8051","8054","10.1039/D1RA00375E","","","0.71073","MoKα","","0.0598","0.0385","","","0.0906","0.1031","","","","","","1.022","","","","has coordinates","268489","2021-09-06","05:37:12",""
"7243483","8.09","0.003","16.018","0.007","3.5317","0.0014","90","","101.284","0.004","90","","448.8","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 Ho O10 -","- B3 Ca4.0004 Ho0.9996 O10 -","- B6 Ca8.0008 Ho1.9992 O20 -","2","0.5","","Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang","Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal","CrystEngComm","2021","23","37","6574","6581","10.1039/D1CE00816A","","x-ray","0.71073","MoKα","","0.0292","0.0291","","","0.0777","0.0777","","","","","","1.063","","","","has coordinates,has disorder","269672","2021-10-06","14:49:41",""
"7243484","19.133","0.005","24.566","0.007","15.782","0.005","90","","108.873","0.006","90","","7019","4","100","2","100","2","","","","","","","Co-precipitation and slow evaporation","3","C 1 2 1","C 2y","5","Beta-cyclodextrin valproic acid 19.0 hydrate","'5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol 2-propylpentanoic acid 19.9 hydrate'","","- C100 H210 O93 -","- C84 H130 O89.184 -","- C168 H260 O178.368 -","2","0.5","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.132","0.0997","","","0.2742","0.3047","","","","","","1.12","","","","has coordinates","269670","2021-10-06","14:48:45",""
"7243485","10.396","0.002","15.111","0.003","25.494","0.005","83.247","0.004","81.556","0.004","89.475","0.004","3933.9","1.3","173","2","173","2","","","","","","","","3","P 1","P 1","1","DIMEB valproic acid clathrate hydrate","heptakis(2,6-di-O-methyl)-beta-cyclodextrin 2-propylpentanoic acidhydrate (2:2:3.9)","","- C129 H237.8 O77.88 -","- C129 H226 O77.87 -","- C129 H226 O77.87 -","1","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1494","0.1055","","","0.2904","0.3294","","","","","","1.186","","","","has coordinates","269670","2021-10-06","14:48:57",""
"7243486","15.337","0.003","20.728","0.004","23.104","0.005","90","","90","","90","","7345","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","permethylated alpha-cyclodextrin valproic acid hydrate","hexakis-(2,3,6-tri-O-methyl)-cyclomaltohexaose 2-propylpentanoic acid clathrate hydrate","","- C62 H114.4 O33.2 -","- C62 H112 O32.5 -","- C248 H448 O130 -","4","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1342","0.0676","","","0.1482","0.1761","","","","","","1.016","","","","has coordinates,has disorder","269670","2021-10-06","14:49:00",""
"7243487","23.745","0.004","23.745","0.004","23.1","0.005","90","","90","","90","","13024","4","293","2","293","2","","","","","","","","3","P 4 21 2","P 4ab 2ab","90","tris(gamma-cyclodextrin) tetrakis(valproic acid) clathrate hydrate","tris(cyclooctylamylose) tetrakis(2-propylpentanoic acid) clathrate hydrate","","- C176 H402 O177 -","- C144 H216 O155.88 -","- C288 H432 O311.76 -","2","0.25","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1554","0.1431","","","0.4024","0.4101","","","","","","1.73","","","","has coordinates","269670","2021-10-06","14:49:10",""
"7243488","13.5174","0.0003","13.5174","0.0003","14.9399","0.0003","90","","90","","90","","2729.82","0.1","293","","293","","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- B7 Ba12 F4 Li O21 -","- B7 Ba12 F4 Li O21 -","- B28 Ba48 F16 Li4 O84 -","4","0.25","","Bekker, T. B.; Yelisseyev, A. P.; Solntsev, V. P.; Davydov, A. V.; Inerbaev, T. M.; Rashchenko, S. V.; Kostyukov, A. I.","The influence of co-doping on the luminescence and thermoluminescence properties of Cu-containing fluoride borate crystals","CrystEngComm","2021","23","37","6599","6609","10.1039/D1CE00556A","","x-ray","0.71073","MoKα","","0.0393","0.0285","","","0.0614","0.0644","","","","1.7897","1.7897","1.6973","","","","has coordinates","269673","2021-10-06","14:49:48",""
"7243489","15.186","0.003","15.21","0.003","26.964","0.005","91.53","0.03","102.04","0.03","91.69","0.03","6085","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","catena-[(m-N,N''-(biphenyl-4,4'-diyl)diisonicotinamide)-bis(m-biphenyl-4,4'-dicarboxylato)-di-zinc(ii)guest N,N-dimethylformamide solvate]","","- C94 H83 N8 O18 Zn3 -","- C94 H83 N8 O18 Zn3 -","- C188 H166 N16 O36 Zn6 -","2","1","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","Synchrotron","","0.0713","0.0705","","","0.2002","0.2007","","","","","","1.044","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243490","21.473","0.005","21.553","0.0009","26.886","0.002","94.896","0.003","102.406","0.008","89.986","0.014","12106","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C130.35 H132.3 N8.95 O22.3 Zn3 -","- C521.4 H529.2 N35.8 O89.2 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","","","0.0589","0.0534","","","0.1407","0.1462","","","","","","1.038","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243491","15.263","0.003","30.497","0.006","26.95","0.005","89.2","0.03","82.16","0.03","87.8","0.03","12418","4","100","","100.15","","","","","","","","","5","P -1","-P 1","2","PUM168@propofol","","","- C126.62 H125.75 N7.62 O20.25 Zn3 -","- C126.625 H125.75 N7.625 O20.25 Zn3 -","- C506.5 H503 N30.5 O81 Zn12 -","4","2","","Mazzeo, Paolo P.; Balestri, Davide; Bacchi, Alessia; Pelagatti, Paolo","Stabilization of liquid active guests via nanoconfinement into a flexible microporous metal–organic framework","CrystEngComm","2021","23","41","7262","7269","10.1039/D1CE00899D","","","0.7","synchrotron","","0.0918","0.0898","","","0.2695","0.2716","","","","","","1.042","","","","has coordinates,has disorder","270417","2021-11-06","19:49:14",""
"7243492","7.3212","0.0014","9.9861","0.0019","19.292","0.003","78.231","0.012","89.49","0.013","77.581","0.013","1347.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H15 N6 -","- C39 H15 N6 -","- C78 H30 N12 -","2","1","","Mandal, Arkalekha; Kim, Youngmee; Kim, Sung-Jin; Park, JaeHong","Unravelling the fluorescence and semiconductor properties of a new coronene:TCNB charge transfer cocrystal polymorph","CrystEngComm","2021","23","40","7132","7140","10.1039/D1CE00741F","","","0.71073","MoKα","","0.1582","0.0663","","","0.1465","0.1955","","","","","","0.985","","","","has coordinates","270441","2021-11-06","19:56:27",""
"7243493","9.706","0.0009","24.576","0.002","14.6471","0.0017","90","","109.129","0.004","90","","3300.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","yt_dsj2","","","- C17 H29 N O3 -","- C17 H25 N O3 -","- C136 H200 N8 O24 -","8","4","","Li, Wei; Zhao, Lin; Sun, Li-Tong; Xie, Ze-Ping; Zhang, Shu-Min; Yue, Xi-Dian; Dai, Sheng-Jun","Trinorlabdane diterpenoid alkaloids featuring an unprecedented skeleton with anti-inflammatory and anti-viral activities from Forsythia suspensa","RSC Advances","2021","11","47","29684","29689","10.1039/D1RA05760J","","","1.54178","CuKα","","0.1218","0.1145","","","0.3024","0.3132","","","","","","1.371","","","","has coordinates","269042","2021-09-08","01:21:07",""
"7243494","6.8238","0.0003","14.8389","0.0007","10.849","0.0003","90","","96.975","0.003","90","","1090.41","0.08","104.9","","104.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Su, Ziqi; Chai, Hongxin; Xu, Juan; Li, Jiarong","ZnCl2-promoted domino reaction of 2-hydroxybenzonitriles with ketones for synthesis of 1,3-benzoxazin-4-ones","RSC Advances","2021","11","48","29906","29911","10.1039/D1RA04194K","","x-ray","0.71073","MoKα","","0.0486","0.0396","","","0.0877","0.093","","","","","","1.05","","","","has coordinates","269043","2021-09-08","01:21:39",""
"7243495","15.2177","0.0002","6.7634","0.0001","11.0057","0.0002","90","","109.445","0.002","90","","1068.13","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Br N5 O2 -","- C7 H10 Br N5 O2 -","- C28 H40 Br4 N20 O8 -","4","1","","Bąchor, Urszula; Drozd-Szczygieł, Ewa; Bąchor, Remigiusz; Jerzykiewicz, Lucjan; Wieczorek, Robert; Mączyński, Marcin","New water-soluble isoxazole-linked 1,3,4-oxadiazole derivative with delocalized positive charge","RSC Advances","2021","11","47","29668","29674","10.1039/D1RA05116D","","","1.54184","CuKα","","0.0203","0.0197","","","0.0541","0.0545","","","","","","1.119","","","","has coordinates","269044","2021-09-08","01:22:10",""
"7243496","52.556","0.003","3.8744","0.0003","24.2104","0.0014","90","","103.315","0.003","90","","4797.3","0.5","262","","262","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C256 H176 N16 O32 -","16","4","","Ikeda, Kazuho; Yoo, Dongho; Nishikawa, Ryu; Kawamoto, Tadashi; Mori, Takehiko","Charge injected proton transfer in indigo derivatives","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03364F","","","1.54187","CuKα","","0.1551","0.1152","","","0.2868","0.35","","","","","","1.043","","","","has coordinates","269057","2021-09-09","00:45:21",""
"7243497","7.385","0.003","7.98","0.003","8.186","0.003","65.269","0.008","89.12","0.009","70.156","0.009","407.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Co0.5 N3 O4 -","- C6 H7 Co0.5 N3 O4 -","- C12 H14 Co N6 O8 -","2","1","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.1023","0.0853","","","0.2255","0.2435","","","","","","1.049","","","","has coordinates","270412","2021-11-06","19:47:44",""
"7243498","7.1998","0.0011","10.346","0.0016","12.6281","0.0019","73.713","0.003","84.815","0.003","79.798","0.003","887.8","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","- C24 H14 Co N12 O8 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","","0.71073","MoKα","","0.0464","0.0394","","","0.0964","0.0992","","","","","","1.064","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243499","10.3709","0.0007","10.4034","0.0008","13.8572","0.0009","71.806","0.006","86.047","0.006","88.735","0.006","1416.96","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","- C36 H22 Co3 N18 O14 -","1","0.5","","Ma, Zhi Long; Wang, Meng Chen; Tian, Li; Liu, Zhong Yi","Solvent-controlled metal coordination polymers of Co(ii) with different topological structures and properties","CrystEngComm","2021","23","41","7253","7261","10.1039/D1CE01093J","","x-ray","0.71073","MoKα","","0.0758","0.0523","","","0.142","0.1571","","","","","","1.003","","","","has coordinates,has disorder","270412","2021-11-06","19:47:44",""
"7243500","8.1585","0.0003","10.0268","0.0004","11.7398","0.0005","82.2199","0.0004","69.7716","0.0004","70.2331","0.0004","847.84","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-7-iodo-5-methyl-3-phenyl-1-benzofuran","","- C21 H14 Cl I O -","- C21 H14 Cl I O -","- C42 H28 Cl2 I2 O2 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K.","Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones","RSC Advances","2021","11","48","30069","30077","10.1039/D1RA05730H","","","0.71073","MoKα","","0.0353","0.0338","","","0.0929","0.0944","","","","","","1.053","","","","has coordinates","269083","2021-09-10","01:20:36",""
"7243501","9.244","0.002","9.988","0.003","10.515","0.003","86.607","0.003","65.448","0.003","70.67","0.003","829.8","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-7-iodo-3-phenyl-1-benzofuran","","- C20 H12 Cl I O -","- C20 H12 Cl I O -","- C40 H24 Cl2 I2 O2 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K.","Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones","RSC Advances","2021","11","48","30069","30077","10.1039/D1RA05730H","","","0.71073","MoKα","","0.0318","0.0265","","","0.064","0.0676","","","","","","1.051","","","","has coordinates","269083","2021-09-10","01:20:36",""
"7243502","10.578","0.0008","5.739","0.0005","13.2053","0.001","90","","97.765","0.003","90","","794.31","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H19 O11 Y -","- C9 H19 O11 Y -","- C18 H38 O22 Y2 -","2","1","","Yapryntsev, A. D.; Baranchikov, A. E.; Churakov, A. V.; Kopitsa, G. P.; Silvestrova, A. A.; Golikova, M. V.; Ivanova, O. S.; Gorshkova, Yu. E.; Ivanov, V. K.","The first amorphous and crystalline yttrium lactate: synthesis and structural features","RSC Advances","2021","11","48","30195","30205","10.1039/D1RA05923H","","","0.71073","MoKα","","0.0727","0.0667","","","0.1523","0.1561","","","","","","1.122","","","","has coordinates","269084","2021-09-10","01:21:06",""
"7243503","10.5012","0.001","21.4163","0.0019","10.7561","0.0009","90","","116.366","0.003","90","","2167.4","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C112 H84 N12 O8 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.0473","0.0411","","","0.1055","0.1105","","","","","","1.017","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243504","10.5361","0.0002","20.5984","0.0004","9.9179","0.0002","90","","90","","90","","2152.45","0.07","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.1497","0.0677","","","0.1117","0.1328","","","","","","1.042","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243505","14.0372","0.0002","9.4978","0.0002","14.4733","0.0003","90","","113.232","0.001","90","","1773.15","0.06","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.1003","0.0638","","","0.129","0.147","","","","","","1.109","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243506","26.205","0.011","25.903","0.011","14.652","0.006","90","","90","","90","","9946","7","273","2","273","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C44 H56 N9 O9 Zn2 -","- C46 H60 N4 O12 Zn2 -","- C368 H480 N32 O96 Zn16 -","8","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C‒H⋯π interactions","RSC Advances","2021","11","48","30148","30155","10.1039/D1RA03943A","","","0.71073","MoKα","","0.0562","0.046","","","0.1205","0.1315","","","","","","1.061","","","","has coordinates","269086","2021-09-10","01:22:31",""
"7243507","8.4671","0.0005","10.5451","0.0006","14.4131","0.0007","88.379","0.004","80.098","0.004","73.608","0.005","1215.92","0.12","113","2","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H26 P4 Pd -","- C27 H26 P4 Pd -","- C54 H52 P8 Pd2 -","2","1","","Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian","The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2","Green Chemistry","2021","23","20","8089","8095","10.1039/D1GC02735B","","x-ray","0.71073","MoKα","","0.0536","0.0439","","","0.1112","0.1177","","","","","","1.057","","","","has coordinates","270457","2021-11-06","20:13:19",""
"7243508","5.5094","0.0003","15.212","0.0008","18.2863","0.0009","90","","96.429","0.006","90","","1522.92","0.14","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F6 O2 -","- C17 H10 F6 O2 -","- C68 H40 F24 O8 -","4","1","","Xia, Shu-Mei; Yang, Zhi-Wen; Yao, Xiang-Yang; Chen, Kai-Hong; Qiu, Li-Qi; He, Liang-Nian","The synergistic copper/ppm Pd-catalyzed hydrocarboxylation of alkynes with formic acid as a CO surrogate as well as a hydrogen source: an alternative indirect utilization of CO2","Green Chemistry","2021","23","20","8089","8095","10.1039/D1GC02735B","","x-ray","0.71073","MoKα","","0.0524","0.0404","","","0.0977","0.1026","","","","","","1.073","","","","has coordinates","270457","2021-11-06","20:13:19",""
"7243509","16.8468","0.0003","20.5523","0.0004","8.3102","0.0002","90","","90.541","0.002","90","","2877.2","0.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Li N4 O8 -","- C28 H36 Li N4 O8 -","- C112 H144 Li4 N16 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","1.54178","CuKα","K-L~3~","0.0554","0.0388","","","0.0929","0.1014","","","","","","1.03","","","","has coordinates,has disorder","270446","2021-11-06","19:58:57",""
"7243510","8.0221","0.0002","13.6455","0.0003","18.3816","0.0005","80.507","0.002","85.505","0.002","85.457","0.002","1973.99","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 K N8 O8 -","- C40 H40 K N8 O8 -","- C80 H80 K2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0597","0.0405","","","0.0976","0.1042","","","","","","1.06","","","","has coordinates","270446","2021-11-06","19:58:59",""
"7243511","8.1103","0.0002","13.6858","0.0004","17.7029","0.0005","78.737","0.002","86.244","0.002","85.714","0.002","1919.11","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N8 Na O8 -","- C40 H40 N8 Na O8 -","- C80 H80 N16 Na2 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.0583","0.0375","","","0.0879","0.0946","","","","","","1.037","","","","has coordinates","270446","2021-11-06","19:59:02",""
"7243512","17.191","0.002","20.518","0.002","8.3079","0.0009","90","","90.131","0.006","90","","2930.4","0.5","120","2","120.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 Na O8 -","- C28 H36 N4 Na O8 -","- C112 H144 N16 Na4 O32 -","4","0.5","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","","0.71075","MoKα","K-L~2,3~","0.1905","0.0839","","","0.1982","0.2922","","","","","","1.016","","","","has coordinates,has disorder","270446","2021-11-06","19:59:04",""
"7243513","8.2066","0.0004","13.7299","0.0006","17.8792","0.0008","72.441","0.004","83.006","0.004","86.623","0.004","1905.87","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Li N8 O8 -","- C40 H40 Li N8 O8 -","- C80 H80 Li2 N16 O16 -","2","1","","Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.","Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts","CrystEngComm","2021","23","38","6755","6760","10.1039/D1CE01075A","","x-ray","0.71075","MoKα","K-L~3~","0.1237","0.0529","","","0.0987","0.1151","","","","","","0.995","","","","has coordinates","270446","2021-11-06","19:59:04",""
"7243514","6.869","0.003","9.873","0.004","15.041","0.006","90","","90","","90","","1020","0.7","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cs H2 Mn O10 V3 -","- Cs H2 Mn O10 V3 -","- Cs4 H8 Mn4 O40 V12 -","4","0.5","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0219","0.0191","","","0.0501","0.0517","","","","","","1.005","","","","has coordinates","270431","2021-11-06","19:52:04",""
"7243515","13.569","0.0003","13.569","0.0003","8.5361","0.0004","90","","90","","90","","1571.65","0.09","150","2","150","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- Cs4.34 H5.93 Mn1.83 O26.97 V8 -","- Cs4.3412 H5.9288 Mn1.8288 O26.9644 V8 -","- Cs8.6824 H11.8576 Mn3.6576 O53.9288 V16 -","2","0.125","","Zou, Yan-Min; Lan, Xiao-Yun; Ma, Wen; Jin, Jian-Ce; Sun, Hai-Yan; Li, Ji-Long; Feng, Mei-Ling; Huang, Xiao-Ying","Towards new cesium containing manganese vanadates via a precursor method","CrystEngComm","2021","23","39","6909","6914","10.1039/D1CE00921D","","","0.71073","MoKα","","0.0202","0.0192","","","0.04","0.0406","","","","","","1.172","","","","has coordinates,has disorder","270431","2021-11-06","19:52:07",""
"7243516","10.7972","0.0005","13.496","0.0006","13.6852","0.0007","62.208","0.005","86.974","0.004","67.181","0.004","1605.91","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H28 Ag2 B2 F8 N8 S4 -","- C20 H28 Ag2 B2 F8 N8 S4 -","- C40 H56 Ag4 B4 F16 N16 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","0.71073","MoKα","","0.0538","0.0413","","","0.1232","0.1317","","","","","","1.167","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243517","10.0969","0.0005","18.6753","0.0008","7.9739","0.0003","90","","92.264","0.001","90","","1502.41","0.11","102","2","102","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","AB160","","","- C10 H14 Ag Cl N4 O4 S2 -","- C10 H14 Ag Cl N4 O4 S2 -","- C40 H56 Ag4 Cl4 N16 O16 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","","0.71073","MoKα","","0.0361","0.0318","","","0.0723","0.0751","","","","","","1.113","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243518","12.0332","0.0006","6.5856","0.0004","22.1176","0.0011","90","","102.28","0.005","90","","1712.63","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Ag2 N6 O6 S2 -","- C10 H14 Ag2 N6 O6 S2 -","- C40 H56 Ag8 N24 O24 S8 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0881","0.0773","","","0.1936","0.2055","","","","","","1.049","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243519","8.7766","0.0005","10.4029","0.0008","11.8505","0.0009","86.302","0.006","81.916","0.006","86.791","0.006","1067.79","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H14 Ag2 F6 N4 O6 S4 -","- C12 H14 Ag2 F6 N4 O6 S4 -","- C24 H28 Ag4 F12 N8 O12 S8 -","2","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.0459","0.0362","","","0.0887","0.0958","","","","","","1.02","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243520","16.532","0.0015","11.115","0.0007","27.2509","0.0018","90","","99.442","0.008","90","","4939.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ag3 F18 N12 P3 S6 -","- C30 H42 Ag3 F18 N12 P3 S6 -","- C120 H168 Ag12 F72 N48 P12 S24 -","4","1","","Soleymani-Babadi, Susan; Beheshti, Azizolla; Bahrani-Pour, Maryam; Salahshournia, Behrang; Zafarian, Hamid-Reza; Trzybiński, Damian; Mayer, Peter; Wozniak, Krzysztof","Involvement of various anions in tuning the structure of silver(i) coordination polymers based on a S-donor ligand: syntheses, crystal structure and uptake properties","CrystEngComm","2021","23","42","7502","7516","10.1039/D1CE00172H","","x-ray","1.54184","CuKα","","0.1129","0.077","","","0.197","0.2273","","","","","","0.977","","","","has coordinates","270427","2021-11-06","19:51:20",""
"7243521","28.89","0.004","5.5858","0.0008","28.523","0.003","90","","104.4","0.02","90","","4458.3","1.1","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H8 F42 I2 N4 O -","- C32 H8 F42 I2 N4 O -","- C128 H32 F168 I8 N16 O4 -","4","1","","Saccone, Marco; Pace, Andrea; Pibiri, Ivana; Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Dissecting the packing forces in mixed perfluorocarbon/aromatic co-crystals","CrystEngComm","2021","23","41","7324","7333","10.1039/D1CE01001H","","","0.71073","MoKα","","0.1009","0.0493","","","0.0924","0.1095","","","","","","1.037","","","","has coordinates,has disorder","270413","2021-11-06","19:47:53",""
"7243522","7.5329","0.001","10.6912","0.0014","34.1","0.008","90","","95.908","0.017","90","","2731.7","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 N O2 S -","- C26 H47 N O2 S -","- C104 H188 N4 O8 S4 -","4","1","","Bisz, Elwira; Koston, Martina; Szostak, Michal","N-Butylpyrrolidone (NBP) as a non-toxic substitute for NMP in iron-catalyzed C(sp2)‒C(sp3) cross-coupling of aryl chlorides","Green Chemistry","2021","","","","","10.1039/D1GC02377B","","","1.54184","CuKα","","0.0849","0.0523","","","0.1403","0.1696","","","","","","1.039","","","","has coordinates","269142","2021-09-14","23:27:26",""
"7243523","21.023","0.002","21.023","","30.595","0.003","90","","90","","120","","11710.4","1.6","150","","150","","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","","","- C84 H54 N16 O6 S3 -","- C84 H54 N16 O6 S3 -","- C504 H324 N96 O36 S18 -","6","0.333333","","Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric","Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03346H","","x-ray","0.71073","MoKα","","0.0922","0.0611","","","0.146","0.1641","","","","","","1.008","","","","has coordinates","269160","2021-09-16","00:33:55",""
"7243524","10.7358","0.0005","9.7979","0.0004","13.1395","0.0004","90","","93.928","0.003","90","","1378.87","0.1","140","2","140","2","","","","","","","synthesis as described","3","P 1 2/a 1","-P 2ya","13","","","","- C34 H15 N9 -","- C34 H15 N9 -","- C68 H30 N18 -","2","0.5","","Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric","Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03346H","","x-ray","0.71073","MoKα","","0.0812","0.0474","","","0.0968","0.1149","","","","","","1.009","","","","has coordinates","269160","2021-09-16","00:33:56",""
"7243525","12.2334","0.001","16.0882","0.0015","18.7919","0.0016","107.984","0.003","97.849","0.003","90.566","0.003","3479.5","0.5","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C77 H76 N10 O4 S2 -","- C77 H76 N10 O4 S2 -","- C154 H152 N20 O8 S4 -","2","1","","Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric","Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03346H","","x-ray","0.71073","MoKα","","0.0804","0.0539","","","0.1269","0.145","","","","","","1.009","","","","has coordinates,has disorder","269160","2021-09-16","00:33:56",""
"7243526","13.4703","0.0003","14.2884","0.0003","9.0192","0.0002","90","","97.198","0.001","90","","1722.24","0.07","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N3 O -","- C20 H16 Br N3 O -","- C80 H64 Br4 N12 O4 -","4","1","","Zhao, Mengfei; Qin, Zengxin; Zhang, Kaixin; Li, Jizhen","Metal-free site-selective C‒H cyanoalkylation of 8-aminoquinoline and aniline-derived amides with azobisisobutyronitrile","RSC Advances","2021","11","49","30719","30724","10.1039/D1RA06013A","","","0.71073","MoKα","","0.0253","0.0221","","","0.0556","0.0574","","","","","","1.046","","","","has coordinates","269161","2021-09-16","00:57:41",""
"7243527","17.1434","0.0016","14.9459","0.0014","18.1606","0.0017","90","","90","","90","","4653.2","0.8","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[Mo(CO)2(NO)(iPr3tacn)]PF6","","- C17 H33 F6 Mo N4 O3 P -","- C17 H33 F6 Mo N4 O3 P -","- C136 H264 F48 Mo8 N32 O24 P8 -","8","1","","Gessner, Niklas; Bäck, Anna Karina; Knorr, Johannes; Nagel, Christoph; Marquetand, Philipp; Schatzschneider, Ulrich; González, Leticia; Nuernberger, Patrick","Ultrafast Photochemistry of a Molybdenum Carbonyl-Nitrosyl Complex with a Triazacyclononane Coligand","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03514B","","","0.71073","MoKα","","0.0304","0.0223","","","0.0469","0.0536","","","","","","1.0102","","","","has coordinates,has disorder","269172","2021-09-17","00:36:34",""
"7243528","10.248","0.002","9.092","0.002","20.307","0.006","90","","92.102","0.009","90","","1890.8","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Tert-Butyl-3-phenyl-4-(2,4-difluorophenyl)-1,2,4-triazolium perchlorate","","- C18 H18 Cl F2 N3 O4 -","- C18 H18 Cl F2 N3 O4 -","- C72 H72 Cl4 F8 N12 O16 -","4","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.1166","0.0761","","","0.2023","0.2327","","","","","","1.042","","","","has coordinates,has disorder","269173","2021-09-17","01:00:49",""
"7243529","12.6541","0.0013","19.843","0.002","18.004","0.002","90","","109.426","0.003","90","","4263.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu F3 I N3 -","- C19 H18 Cu F3 I N3 -","- C152 H144 Cu8 F24 I8 N24 -","8","2","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0931","0.0498","","","0.117","0.1435","","","","","","1.005","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243530","10.4747","0.0002","16.568","0.0004","23.0336","0.0005","90","","90","","90","","3997.36","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cu F2 I N3 -","- C18 H17 Cu F2 I N3 -","- C144 H136 Cu8 F16 I8 N24 -","8","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0495","0.0393","","","0.108","0.116","","","","","","1.06","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243531","5.4869","0.0003","10.1446","0.0006","14.6445","0.0008","101.552","0.004","93.625","0.004","93.431","0.004","794.84","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F2 N3 -","- C18 H17 F2 N3 -","- C36 H34 F4 N6 -","2","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0986","0.0528","","","0.1177","0.1349","","","","","","1.016","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243532","18.9632","0.0007","18.2169","0.0007","14.9312","0.0005","90","","110.55","0.0011","90","","4829.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Br N3 O6.5 S -","- C21 H24 Br N3 O6.066 S -","- C168 H192 Br8 N24 O48.528 S8 -","8","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0715","0.049","","","0.1391","0.1591","","","","","","1.046","","","","has coordinates,has disorder","269173","2021-09-17","01:00:59",""
"7243533","12.1829","0.001","14.9798","0.0013","15.5382","0.0013","67.68","0.003","69.005","0.003","67.206","0.003","2343.1","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H16 Ce O8 -","- C29 H16 Ce O8 -","- C58 H32 Ce2 O16 -","2","1","","Wu, Xiaoling; Li, Zi-Jian; Zhou, He; Li, Lin; Qian, Zhenghua; Qian, Nan; Chu, Xinxin; Liu, Wei","A microporous Ce-based MOF with the octahedron cage for highly selective adsorption towards xenon over krypton","RSC Advances","2021","11","49","30918","30924","10.1039/D1RA04824D","","","0.71073","MoKα","","0.048","0.0434","","","0.1213","0.1235","","","","","","1.081","","","","has coordinates","269202","2021-09-18","01:20:49",""
"7243534","8.6398","0.0005","19.4072","0.001","10.7039","0.0006","90","","101.237","0.003","90","","1760.36","0.17","99.87","","99.87","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-iodophenyl)quinoxaline","","- C20 H12 I2 N2 -","- C20 H12 I2 N2 -","- C80 H48 I8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0854","0.0461","","","0.0947","0.1067","","","","","","1.022","","","","has coordinates","270437","2021-11-06","19:55:09",""
"7243535","13.368","0.003","7.5374","0.0012","16.175","0.004","90","","104.64","0.009","90","","1576.9","0.6","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-chlorophenyl)quinoxaline","","- C20 H12 Cl2 N2 -","- C20 H12 Cl2 N2 -","- C80 H48 Cl8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.0917","0.045","","","0.0847","0.1008","","","","","","1.012","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243536","12.7621","0.0018","7.6916","0.0009","15.439","0.002","90","","101.23","0.007","90","","1486.5","0.3","99.82","","99.82","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-bis(3-fluorophenyl)quinoxaline","","- C20 H12 F2 N2 -","- C20 H12 F2 N2 -","- C80 H48 F8 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1424","0.0592","","","0.1002","0.1237","","","","","","1.018","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243537","12.313","0.004","7.563","0.002","17.916","0.005","90","","102.333","0.011","90","","1629.9","0.8","99.78","","99.78","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3-di-m-tolylquinoxaline","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Saidykhan, Amie; Fenwick, Nathan W.; Bowen, Richard D.; Telford, Richard; Seaton, Colin C.","Isostructurality of quinoxaline crystal phases: the interplay of weak hydrogen bonds and halogen bonding","CrystEngComm","2021","23","40","7108","7117","10.1039/D1CE00878A","","","0.71073","MoKα","","0.1509","0.085","","","0.2017","0.2449","","","","","","1.036","","","","has coordinates","270437","2021-11-06","19:55:10",""
"7243538","6.2638","0.0003","10.7726","0.0004","12.388","0.0004","111.317","0.003","96.567","0.003","105.524","0.004","729.15","0.06","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cd N2 O5 S -","- C15 H13 Cd N2 O5 S -","- C30 H26 Cd2 N4 O10 S2 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","","0.71073","MoKα","","0.0218","0.0208","","","0.0545","0.0549","","","","","","1.128","","","","has coordinates","270425","2021-11-06","19:50:58",""
"7243539","7.5153","0.0006","9.8544","0.0008","10.3104","0.0009","62.368","0.008","76.205","0.007","67.714","0.007","624.13","0.1","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cd N O4 -","- C14 H10 Cd N2 O4 -","- C28 H20 Cd2 N4 O8 -","2","1","","Fu, Miao-Miao; Liu, Ce; Dong, Gui-Ying","Two Cd(ii)-based metal–organic frameworks for the highly effective detection of Fe3+ ions and levofloxacin in aqueous media","CrystEngComm","2021","23","42","7397","7405","10.1039/D1CE01128F","","x-ray","0.71073","MoKα","","0.0382","0.0326","","","0.0776","0.0797","","","","","","1.074","","","","has coordinates","270425","2021-11-06","19:50:59",""
"7243540","9.4083","0.0016","13.686","0.002","18.288","0.003","90","","99.846","0.005","90","","2320.1","0.6","150","2","149.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 N7 O13 Zn2 -","- C39 H37 N7 O13 Zn2 -","- C78 H74 N14 O26 Zn4 -","2","0.5","","Wu, Qi; Yang, Xiao-Li; Ding, Ze-Yu; Meng, Xiao-Yun; Zhang, Wen-Yan; Yan, Yang-Tian; Yang, Guo-Ping; Wang, Yao-Yu","A multi-functional two-dimensional Zn(ii)-organic framework for selective carbon dioxide adsorption, sensing of nitrobenzene and Cr2O72−","CrystEngComm","2021","23","43","7643","7649","10.1039/D1CE01095F","","","0.71073","MoKα","","0.0975","0.0704","","","0.1988","0.221","","","","","","1.114","","","","has coordinates","271168","2021-12-07","03:05:30",""
"7243541","10.3931","0.0014","16.027","0.002","14.996","0.002","90","","98.243","0.002","90","","2472.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.1085","0.0655","","","0.1677","0.1878","","","","","","1.042","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243542","10.4014","0.0011","16.133","0.0017","14.6878","0.0015","90","","98.482","0.002","90","","2437.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C96 H64 Co4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0749","0.043","","","0.0959","0.1071","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243543","10.114","0.003","16.501","0.004","14.7","0.004","90","","97.159","0.004","90","","2434.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Co I1.6 N2 O4 -","- C24 H16 Co I1.6 N2 O4 -","- C96 H64 Co4 I6.4 N8 O16 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0934","0.0687","","","0.1838","0.1956","","","","","","1.11","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243544","10.2197","0.0005","16.1263","0.0008","14.8826","0.0007","90","","98.059","0.002","90","","2428.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16.5 N2 O4.25 Zn -","- C24 H16 N2 O4.25 Zn -","- C96 H64 N8 O17 Zn4 -","4","1","","Ndamyabera, Christophe A.; Chatterjee, Nabanita; Oliver, Clive L.; Bourne, Susan A.","Robust pyridylbenzoate metal–organic frameworks as sorbents for volatile solvents and gases","CrystEngComm","2021","23","40","7162","7170","10.1039/D1CE01052B","","","0.71073","MoKα","","0.0715","0.0508","","","0.1329","0.1459","","","","","","1.031","","","","has coordinates,has disorder","270445","2021-11-06","19:57:46",""
"7243545","8.3414","0.0008","10.8615","0.0011","11.6407","0.0012","69.332","0.003","87.543","0.003","76.539","0.003","958.77","0.17","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl N3 O3 S -","- C21 H16 Cl N3 O3 S -","- C42 H32 Cl2 N6 O6 S2 -","2","1","","Kumar, Navaneet; Bhadoria, Deepak; Kumar, Atul","Visible-light-promoted three-component cycloaddition reaction: synthesis of 4-functionalized 1,5-disubstituted 1,2,3-triazoles","Green Chemistry","2021","23","20","7987","7995","10.1039/D1GC02328D","","","0.71073","synchrotron","","0.0411","0.0346","","","0.0836","0.0887","","","","","","1.085","","","","has coordinates","270459","2021-11-06","20:13:49",""
"7243546","27.0844","0.0011","27.0844","0.0011","22.219","0.002","90","","90","","120","","14115.4","1.5","297","","297","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O4 -","- C22 H14 Co N2 O4 -","- C396 H252 Co18 N36 O72 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0914","0.0651","","","0.1736","0.1891","","","","","","1.035","","","","has coordinates","271167","2021-12-07","03:05:20",""
"7243547","25.1587","0.0007","12.6586","0.0003","16.9319","0.0005","90","","102.447","0.003","90","","5265.6","0.3","297","","297","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H19 Co N3 O5 -","- C29 H18 Co N3 O5 -","- C232 H144 Co8 N24 O40 -","8","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","1.54184","CuKα","","0.0872","0.0605","","","0.1564","0.1741","","","","","","1.037","","","","has coordinates,has disorder","271167","2021-12-07","03:05:21",""
"7243548","10.1206","0.0003","13.677","0.0005","15.8965","0.0005","70.383","0.001","78.221","0.001","83.458","0.001","2026.56","0.12","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","- C60 H40 Co3 N6 O14 -","1","0.5","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0293","0.0269","","","0.0853","0.087","","","","","","1.08","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243549","27.0648","0.0013","27.0648","0.0013","22.965","0.003","90","","90","","120","","14568","2","273.15","","273.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H14 Co N2 O5 -","- C22 H13 Co N2 O5 -","- C396 H234 Co18 N36 O90 -","18","1","","Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Zhang, Na; Zhang, Jian-Yong; Xing, Yuan-Yuan; Deng, Wei; Liu, Zhen-Jiang","Structures and catalytic oxidative coupling reaction of four Co-MOFs modified with R-isophthalic acid (RH, OH and COOH) and trigonal ligands","CrystEngComm","2021","23","43","7590","7601","10.1039/D1CE01221E","","","0.71073","MoKα","","0.0672","0.0559","","","0.1498","0.1585","","","","","","1.04","","","","has coordinates","271167","2021-12-07","03:05:21",""
"7243550","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","270443","2021-11-06","19:57:22",""
"7243551","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243552","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243553","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Goreshnik, Evgeny","Influence of the synthetic conditions on a formation of 1-D, 2-D and 3-D copper–chloride coordination polymers","CrystEngComm","2021","23","40","7171","7178","10.1039/D1CE01048D","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","270443","2021-11-06","19:57:25",""
"7243554","12.1233","0.0004","8.2762","0.0003","11.5289","0.0004","90","","99.076","0.001","90","","1142.27","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H2 K2 N10 O5 -","- C4 H2 K2 N10 O5 -","- C16 H8 K8 N40 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0566","0.0467","","","0.1109","0.1196","","","","","","1.041","","","","has coordinates","271165","2021-12-07","03:03:46",""
"7243555","12.6801","0.0005","8.2805","0.0003","11.665","0.0005","90","","97.819","0.002","90","","1213.41","0.08","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N12 O5 -","- C4 H10 N12 O5 -","- C16 H40 N48 O20 -","4","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.0705","0.0499","","","0.0975","0.1061","","","","","","1.086","","","","has coordinates","271165","2021-12-07","03:03:57",""
"7243556","9.4839","0.0005","9.0436","0.0005","22.4984","0.0013","90","","90","","90","","1929.66","0.18","298","2","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H4 N10 O5 -","- C4 H4 N10 O5 -","- C32 H32 N80 O40 -","8","1","","Wang, Yu; Ye, Jin; Yang, Na; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi","Strong intermolecular interaction induced methylene-bridged asymmetric heterocyclic explosives","CrystEngComm","2021","23","43","7635","7642","10.1039/D1CE01083B","","","0.71073","MoKα","","0.1104","0.0472","","","0.0964","0.1313","","","","","","1.142","","","","has coordinates","271165","2021-12-07","03:04:07",""
"7243557","6.4278","0.0003","13.986","0.0006","12.7277","0.0005","90","","91.79","0.004","90","","1143.65","0.09","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H14 Cl4 Cu2 N2 -","- C6 H14 Cl4 Cu2 N2 -","- C24 H56 Cl16 Cu8 N8 -","4","1","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0432","0.0362","","","0.0858","0.0896","","","","","","1.094","","","","has coordinates","269247","2021-09-22","22:41:31",""
"7243558","13.9585","0.0006","13.9585","0.0006","6.4715","0.0003","90","","90","","120","","1091.98","0.08","150","0.1","150","0.1","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C6 H18 Cl7 Cu7 S3 -","- C6 H18 Cl7 Cu7 S3 -","- C12 H36 Cl14 Cu14 S6 -","2","0.166667","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0276","0.0261","","","0.0671","0.0692","","","","","","1.051","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243559","6.9394","0.0007","8.4624","0.0008","12.2504","0.0011","90","","104.482","0.01","90","","696.53","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H14 Cl6 Cu2 N2 -","- C6 H14 Cl6 Cu2 N2 -","- C12 H28 Cl12 Cu4 N4 -","2","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","0.71073","MoKα","","0.033","0.0284","","","0.0685","0.0723","","","","","","1.066","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243560","17.3198","0.0006","7.5743","0.0003","10.1087","0.0004","90","","90","","90","","1326.11","0.09","150","0.1","150","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 Cl5 Cu3 N2 -","- C6 H14 Cl5 Cu3 N2 -","- C24 H56 Cl20 Cu12 N8 -","4","0.5","","Sun, Tingting; Lin, Shuang-Yan; Xu, Zhikun; Li, L.","In-situ growth of Fe doped NiCo-MOF electrocatalyst from layered double hydroxide effectively enhances electrocatalytic oxygen evolution performance","CrystEngComm","2021","","","","","10.1039/D1CE01220G","","x-ray","1.54184","CuKα","","0.0483","0.0398","","","0.0985","0.1069","","","","","","1.049","","","","has coordinates","269247","2021-09-22","22:41:32",""
"7243561","11.1487","0.0004","11.1487","0.0004","20.6785","0.0015","90","","90","","120","","2225.9","0.2","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- B12 H12 Na O27 Rb5 -","- B12 H12 Na O27 Rb4.9998 -","- B36 H36 Na3 O81 Rb14.9994 -","3","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0266","0.0254","","","0.0678","0.0683","","","","","","1.125","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243562","9.154","0.0005","6.6585","0.0004","18.6325","0.0011","90","","117.594","0.002","90","","1006.5","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H4 O22 Rb4 -","- B12 H4 O22 Rb4 -","- B24 H8 O44 Rb8 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0387","0.0292","","","0.0651","0.0682","","","","","","1.095","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243563","9.058","0.003","6.62","0.002","18.294","0.006","90","","117.603","0.007","90","","972.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B12 Ba H4 O22 Rb2 -","- B12 Ba H4 O22 Rb2 -","- B24 Ba2 H8 O44 Rb4 -","2","0.5","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0732","0.052","","","0.1353","0.1458","","","","","","1.05","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243564","8.5942","0.0009","7.6284","0.0008","13.1321","0.0014","90","","90","","90","","860.94","0.16","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B5 H O9 Rb2 -","- B5 H O9 Rb2 -","- B20 H4 O36 Rb8 -","4","1","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0267","0.0223","","","0.0439","0.0449","","","","","","0.927","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243565","12.3596","0.0011","12.3596","0.0011","12.3596","0.0011","90","","90","","90","","1888","0.3","296","2","296","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- B12 H3 Na2 O21 Rb -","- B12 Na2 O20.9996 Rb -","- B48 Na8 O83.9984 Rb4 -","4","0.166667","","Qiu, Qi-Ming; Sun, Ke-Ning; Yang, Guo-Yu","Five new rubidium borates with 0D clusters, 1D chains, 2D layers and 3D frameworks","CrystEngComm","2021","23","40","7081","7089","10.1039/D1CE00944C","","","0.71073","MoKα","","0.0431","0.0339","","","0.093","0.1006","","","","","","1.121","","","","has coordinates","270440","2021-11-06","19:56:21",""
"7243566","9.76","0.004","10.85","0.004","15.146","0.005","98.37","0.017","96.251","0.017","103.375","0.017","1526.8","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0839","0.0527","","","0.1425","0.161","","","","","","1.053","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243567","9.83","0.003","10.658","0.003","15.343","0.004","96.197","0.01","96.104","0.011","105.604","0.011","1523.7","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0949","0.0462","","","0.1306","0.1544","","","","","","1.065","","","","has coordinates,has disorder","270414","2021-11-06","19:48:07",""
"7243568","10.3172","0.0019","12.742","0.002","13.082","0.002","67.795","0.009","71.424","0.008","72.877","0.009","1479.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0701","0.0459","","","0.1167","0.1341","","","","","","1.023","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243569","9.8151","0.0004","10.9036","0.0005","14.5415","0.0006","94.486","0.002","97.7538","0.0019","104.653","0.0019","1481.57","0.11","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","α,α-Bis(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11-methanol","","- C37 H32 Cl2 O -","- C37 H32 Cl2 O -","- C74 H64 Cl4 O2 -","2","1","","Barton, Benita; Barnardo, Brandon; Hosten, Eric C.","Selectivity behaviour of two roof-shaped host compounds in the presence of xylene and ethylbenzene guest mixtures","CrystEngComm","2021","23","41","7278","7288","10.1039/D1CE01149A","","","0.71073","MoKα","","0.0562","0.0429","","","0.1099","0.1195","","","","","","1.03","","","","has coordinates","270414","2021-11-06","19:48:07",""
"7243570","21.521","0.004","11.299","0.002","6.774","0.0014","90","","90","","90","","1647.2","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl (1S,2S,6S)-1-acetyl-2-hydroxy-5-oxo-6-(2-oxo-2-phenylethyl)cyclohex-3-ene-1-carboxylate","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.0623","0.049","","","0.1051","0.1168","","","","","","1.07","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243571","7.6292","0.0015","18.955","0.004","27.164","0.005","90","","91.56","0.03","90","","3926.8","1.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl (1R,2S,6S)-1-acetyl-2-hydroxy-6-(2-(naphthalen-2-yl)-2-oxoethyl)-5-oxocyclohex-3-ene-1-carboxylate","","- C115 H110 O30 -","- C92 H86 O24 -","- C184 H172 O48 -","2","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.2201","0.1254","","","0.2485","0.2908","","","","","","1.072","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243572","7.9677","0.0016","8.9993","0.0018","24.879","0.005","90","","98.37","0.03","90","","1764.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2R,3aR,4S,5S)-4-acetyl-2-(4-nitrophenyl)-6-oxohexahydro-2,5-methanobenzo[d][1,3]dioxole-4-carboxylate","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C76 H76 N4 O32 -","4","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.0819","0.0584","","","0.1197","0.1306","","","","","","1.085","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243573","5.0851","0.0017","13.6181","0.0018","18.784","0.002","90","","90","","90","","1300.8","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0361","0.0338","","","0.0794","0.0814","","","","","","1.069","","","","has coordinates","269268","2021-09-23","22:49:14",""
"7243574","12.4314","0.0016","5.0981","0.0007","20.634","0.003","90","","106.37","0.004","90","","1254.7","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","2","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0343","0.0341","","","0.0913","0.0915","","","","","","1.034","","","","has coordinates","269268","2021-09-23","22:49:26",""
"7243575","11.9737","0.0006","11.9737","0.0006","17.3326","0.0013","90","","90","","90","","2485","0.3","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.42(4)Gd0.58Sb9.69(1)","","- Ca10.42 Gd0.58 Sb9.69 -","- Ca10.42 Gd0.58 Sb9.692 -","- Ca41.68 Gd2.32 Sb38.768 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0629","0.0329","","","0.057","0.0655","","","","","","1.08","","","","has coordinates","270439","2021-11-06","19:56:09",""
"7243576","11.9875","0.0017","11.9875","0.0017","17.36","0.003","90","","90","","90","","2494.6","0.7","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.63(2)Gd0.37Sb9.74(1)","","- Ca10.63 Gd0.37 Sb9.74 -","- Ca10.63 Gd0.37 Sb9.74 -","- Ca42.52 Gd1.48 Sb38.96 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.61","synchrotron","","0.0327","0.0315","","","0.0908","0.0916","","","","","","1.112","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243577","11.985","0.0006","11.985","0.0006","17.2845","0.0011","90","","90","","90","","2482.7","0.2","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca10.64(2)Gd0.36Sb9.63(1)","","- Ca10.64 Gd0.36 Sb9.63 -","- Ca10.644 Gd0.356 Sb9.634 -","- Ca42.576 Gd1.424 Sb38.536 -","4","0.125","","Sa, Hayeon; Lee, Junsu; Hong, Yeongjin; Han, Mi-Kyung; Jo, Hongil; Moon, Dohyun; Ok, Kang Min; Kim, Sung-Jin; You, Tae-Soo","Early stage of the single-crystal growth and tipping point of the cationic site preference in Gd-doped Zintl phase thermoelectric materials","CrystEngComm","2021","23","40","7097","7107","10.1039/D1CE00877C","","","0.71073","MoKα","","0.0355","0.0274","","","0.0558","0.0595","","","","","","1.058","","","","has coordinates","270439","2021-11-06","19:56:10",""
"7243578","21.8237","0.0009","6.3425","0.0002","23.2717","0.0009","90","","112.529","0.004","90","","2975.4","0.2","113.15","","113.15","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","x-ray","0.71073","MoKα","","0.0695","0.0565","","","0.1375","0.1512","","","","","","1.031","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243579","25.2663","0.0009","6.3994","0.0002","22.1324","0.0008","90","","120.785","0.001","90","","3074.33","0.19","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H38 N O7.5 S2 -","- C31 H38 N O7.5 S2 -","- C124 H152 N4 O30 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","1.34139","GaKα","","0.0396","0.0394","","","0.1137","0.114","","","","","","1.066","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243580","25.321","0.006","6.4135","0.0015","22.097","0.005","90","","121.404","0.003","90","","3062.8","1.2","298","1","298","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.25 N O7.12 S2 -","- C31 H37.25 N O7.125 S2 -","- C124 H149 N4 O28.5 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.0948","0.0525","","","0.1119","0.1288","","","","","","0.991","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243581","25.208","0.002","6.3747","0.0006","21.98","0.002","90","","121.001","0.001","90","","3027.5","0.5","393","1","393","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37 N O7 S2 -","- C31 H37 N O7 S2 -","- C124 H148 N4 O28 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1712","0.0716","","","0.199","0.2627","","","","","","0.934","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243582","25.2658","0.0018","6.3976","0.0005","22.0858","0.0016","90","","121.138","0.001","90","","3055.6","0.4","353","1","353","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H37.5 N O7.25 S2 -","- C31 H37.5 N O7.25 S2 -","- C124 H150 N4 O29 S8 -","4","1","","Chen, Yifu; Jing, Bo; Chang, Zewei; Gong, Junbo","Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate","CrystEngComm","2021","23","39","6838","6842","10.1039/D1CE00830G","","","0.71073","MoKα","","0.1013","0.0858","","","0.2633","0.2855","","","","","","1.058","","","","has coordinates","270429","2021-11-06","19:51:41",""
"7243583","17.714","0.01","17.989","0.01","15.344","0.011","90","","105.098","0.01","90","","4721","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co N4 O6 -","- C27 H20 Co N4 O6 -","- C216 H160 Co8 N32 O48 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0771","0.0444","","","0.1216","0.1445","","","","","","0.839","","","","has coordinates","270424","2021-11-06","19:50:51",""
"7243584","12.6009","0.0007","30.1566","0.0012","13.5693","0.0008","90","","107.237","0.006","90","","4924.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H21 Co N3 O5 -","- C28.5 H21 Co N3 O5 -","- C228 H168 Co8 N24 O40 -","8","1","","Liu, Ya; Ren, Li; Cui, Guang-Hua","Two Co(ii)-based coordination polymers as multi-responsive luminescent sensors for the detection of levofloxacin, benzaldehyde and Fe3+ ions in water media","CrystEngComm","2021","23","42","7485","7495","10.1039/D1CE01169C","","","0.71073","MoKα","","0.0824","0.0519","","","0.1159","0.1274","","","","","","1.037","","","","has coordinates","270424","2021-11-06","19:50:52",""
"7243585","19.937","0.005","19.937","0.005","6.4202","0.0016","90","","90","","90","","2551.9","1.1","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C128 H64 N32 Nd2 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0785","0.0647","","","0.3028","0.3147","","","","","","1.399","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243586","28.086","0.003","14.16","0.002","13.1416","0.0014","90","","115.708","0.01","90","","4709.1","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0617","0.0462","","","0.093","0.0996","","","","","","1.038","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243587","28.1354","0.0006","22.945","0.0006","7.8933","0.0002","90","","90","","90","","5095.7","0.2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C65 H34 Cl2 N16 Sm -","- C65 H34 Cl2 N16 Sm -","- C260 H136 Cl8 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0446","0.031","","","0.081","0.0944","","","","","","0.876","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243588","19.9227","0.0006","19.9227","0.0006","6.3925","0.0004","90","","90","","90","","2537.27","0.19","100","2","100","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lathanum(III)","","- C64 H32 La N16 -","- C64 H32 La N16 -","- C128 H64 La2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0948","0.0803","","","0.2442","0.2526","","","","","","1.932","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243589","8.8412","0.0014","10.5892","0.0015","50.762","0.008","90","","90","","90","","4752.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0585","0.0539","","","0.1287","0.1305","","","","","","1.197","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243590","28.0851","0.0016","22.9636","0.0013","7.8897","0.0004","90","","90","","90","","5088.3","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyanine neodymium","(phthalocyaninato)-(phthalocyaninato-radical)neodymium(III)","","- C65 H34 Cl2 N16 Nd -","- C65 H34 Cl2 N16 Nd -","- C260 H136 Cl8 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0396","0.0266","","","0.0588","0.0646","","","","","","1.043","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243591","28.356","0.003","22.882","0.003","8.046","0.001","90","","90","","90","","5220.6","1.1","373","2","373","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C65 H34 Cl2 Gd N16 -","- C65 H34 Cl2 Gd N16 -","- C260 H136 Cl8 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0849","0.0445","","","0.0857","0.0987","","","","","","1.02","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243592","8.8171","0.0011","10.5671","0.0012","50.648","0.006","90","","90","","90","","4718.9","1","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0535","0.0457","","","0.0812","0.0833","","","","","","1.116","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243593","28.01","0.003","22.923","0.003","7.8994","0.001","90","","90","","90","","5072","1.1","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(II)","","- C65 H34 Cl2 Dy N16 -","- C65 H34 Cl2 Dy N16 -","- C260 H136 Cl8 Dy4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0729","0.0421","","","0.0801","0.089","","","","","","1.036","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243594","27.955","0.006","22.921","0.005","7.8802","0.0017","90","","90","","90","","5049.3","1.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","(bis)phthalocyaninato-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C65 H34 Cl2 N16 Yb -","- C65 H34 Cl2 N16 Yb -","- C260 H136 Cl8 N64 Yb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0949","0.0498","","","0.1081","0.1282","","","","","","0.972","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243595","8.8136","0.0006","10.5756","0.0007","50.713","0.003","90","","90","","90","","4726.9","0.5","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato) Tb(III)","(phthalocyaninato)-(phthalocyaninato-radical) terbium (III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0567","0.0501","","","0.0815","0.0832","","","","","","1.184","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243596","8.7901","0.0006","10.5965","0.0012","50.568","0.004","90","","90","","90","","4710.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C64 H32 N16 Yb -","- C64 H32 N16 Yb -","- C256 H128 N64 Yb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.045","0.041","","","0.117","0.1199","","","","","","0.873","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243597","19.548","0.004","19.548","0.004","6.477","0.002","90","0.03","90","0.03","90","0.03","2475","1","293","2","293","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","bis(phthalocyaninato) dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C128 H64 Dy2 N32 -","2","0.125","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0702","0.07","","","0.1907","0.1909","","","","","","1.509","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243598","28.0409","0.0009","22.944","0.0007","7.8783","0.0002","90","","90","","90","","5068.7","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-lanthanum","(phthalocyaninato)-(phthalocyaninato-radical)-lanthanum(III)","","- C65 H34 Cl2 La N16 -","- C65 H34 Cl2 La N16 -","- C260 H136 Cl8 La4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0382","0.0301","","","0.0763","0.0797","","","","","","1.073","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243599","28.103","0.003","14.1751","0.0013","13.1851","0.0012","90","","115.596","0.002","90","","4737","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(bis)phthalocyanine neodymium","(phthalocyaninato)-phthalocyaninato-radical)neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","","0.71073","MoKα","","0.0522","0.0355","","","0.0671","0.0725","","","","","","1.014","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243600","28.1112","0.0014","14.2031","0.0012","13.1654","0.0005","90","","115.574","0.002","90","","4741.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium(III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0181","0.0173","","","0.0471","0.0476","","","","","","1.098","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243601","28.016","0.003","22.942","0.003","7.8678","0.0007","90","","90","","90","","5057","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-erbium","(phthalocyaninato)-(phthalocyaninato-radical)-erbium(III)","","- C65 H34 Cl2 Er N16 -","- C65 H34 Cl2 Er N16 -","- C260 H136 Cl8 Er4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0657","0.046","","","0.0856","0.0928","","","","","","1.028","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243602","28.106","0.003","14.1593","0.001","13.1975","0.0008","90","","115.551","0.004","90","","4738.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-Pr","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C64 H32 N16 Pr -","- C64 H32 N16 Pr -","- C256 H128 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0323","0.0268","","","0.0684","0.0721","","","","","","0.829","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243603","8.8201","0.0002","10.6092","0.0003","50.7567","0.0011","90","","90","","90","","4749.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium (III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0467","0.038","","","0.0599","0.0619","","","","","","1.087","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243604","28.125","0.003","14.1663","0.0014","13.1416","0.0014","90","","115.688","0.004","90","","4718.5","0.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0622","0.0512","","","0.0955","0.0984","","","","","","1.2","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243605","28.0516","0.0007","22.9642","0.0008","7.8827","0.0002","90","","90","","90","","5077.9","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-terbium","(phthalocyaninato)-(phthalocyaninato-radical)-terbium(III)","","- C65 H34 Cl2 N16 Tb -","- C65 H34 Cl2 N16 Tb -","- C260 H136 Cl8 N64 Tb4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.029","0.0239","","","0.0596","0.062","","","","","","1.046","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243606","8.852","0.002","10.604","0.002","50.844","0.012","90","","90","","90","","4772.6","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis)phthalocyanine neodymium","[phthalocyaninato]-[phthalocyaninato-radical]neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0345","0.0307","","","0.072","0.0739","","","","","","0.859","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243607","28.1128","0.0016","22.9663","0.0014","7.8883","0.0005","90","","90","","90","","5093.1","0.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","bis(phthalocyaninato)-praseodymium","(phthalocyaninato)-(phthalocyaninato-radical)-praseodymium(III)","","- C65 H34 Cl2 N16 Pr -","- C65 H34 Cl2 N16 Pr -","- C260 H136 Cl8 N64 Pr4 -","4","0.5","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0385","0.0294","","","0.0708","0.0752","","","","","","1.067","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243608","3.8492","0.0008","25.618","0.005","15.127","0.003","90","","96.92","0.03","90","","1480.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Cl2 N3 O4 -","- C13 H11 Cl2 N3 O4 -","- C52 H44 Cl8 N12 O16 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.1424","0.0759","","","0.1509","0.1808","","","","","","0.951","","","","has coordinates","271163","2021-12-07","02:56:51",""
"7243609","11.1527","0.0007","5.1499","0.0003","24.1986","0.0012","90","","94.245","0.005","90","","1386.04","0.14","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.1008","0.0616","","","0.1277","0.1488","","","","","","1.039","","","","has coordinates","271163","2021-12-07","02:58:42",""
"7243610","4.9189","0.0002","12.7069","0.0004","19.7761","0.0007","90","","90.777","0.003","90","","1235.97","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 N2 O3 -","- C11 H10 Cl2 N2 O3 -","- C44 H40 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","x-ray","0.71073","MoKα","","0.0624","0.0444","","","0.0924","0.1015","","","","","","1.051","","","","has coordinates","271163","2021-12-07","02:59:09",""
"7243611","10.5164","0.0003","5.3915","0.0002","24.4188","0.0008","90","","90.966","0.003","90","","1384.33","0.08","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cl2 N2 O3 -","- C13 H12 Cl2 N2 O3 -","- C52 H48 Cl8 N8 O12 -","4","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.0619","0.0467","","","0.1066","0.1172","","","","","","1.036","","","","has coordinates","271163","2021-12-07","02:59:42",""
"7243612","3.9581","0.0002","10.518","0.0006","17.6996","0.001","79.048","0.005","84.886","0.004","85.843","0.004","719.39","0.07","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O4 -","- C14 H12 Cl2 N2 O4 -","- C28 H24 Cl4 N4 O8 -","2","1","","Fang, Lan; Xiao, Yuntian; Zhang, Chengtian; Gao, Zhenguo; Wu, Songgu; Gong, Junbo; Rohani, Sohrab","Intermolecular interactions and solubility behavior of multicomponent crystal forms of 2,4-D: design, structure analysis, and solid-state characterization","CrystEngComm","2021","23","43","7615","7627","10.1039/D1CE01080H","","","0.71073","MoKα","","0.052","0.0412","","","0.0987","0.1073","","","","","","1.047","","","","has coordinates","271163","2021-12-07","03:00:18",""
"7243613","11.1446","0.0013","6.5924","0.0009","29.135","0.004","90","","93.968","0.01","90","","2135.4","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H17 F8 N5 O3 -","- C19 H17 F8 N5 O3 -","- C76 H68 F32 N20 O12 -","4","1","","Ning, Yongquan; Wang, Hongwei; Sivaguru, Paramasivam; Li, Shuang; Zanoni, Giuseppe; Nolan, Steven P.; Bi, Xihe","Defluorinative [4 + 1] annulation of perfluoroalkyl N-mesylhydrazones with primary amines provides 5-fluoroalkyl 1,2,3-triazoles","Green Chemistry","2021","23","20","7976","7981","10.1039/D1GC02749B","","x-ray","0.71073","MoKα","","0.097","0.0646","","","0.1551","0.1818","","","","","","1.015","","","","has coordinates","270460","2021-11-06","20:13:57",""
"7243614","8.8726","0.0006","12.5498","0.0008","25.9772","0.0017","92.616","0.003","97.874","0.003","100.725","0.003","2807.7","0.3","150","2","149.99","","","","","","","","","5","P -1","-P 1","2","T4","","","- C30 H19 P S6 Se -","- C30 H19 P S6 Se -","- C120 H76 P4 S24 Se4 -","4","2","","Yang, Zi; Zhang, Zhikai; Xue, CeCe; Yang, Kai; Gao, Rong; Yu, Na; Ren, Yi","Excited-State Engineering of Oligothiophenes via Phosphorus Chemistry towards Strong Fluorescent Materials","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03737D","","","0.71073","MoKα","","0.0742","0.0516","","","0.13","0.1461","","","","","","1.004","","","","has coordinates,has disorder","269307","2021-09-25","01:06:04",""
"7243615","18.3597","0.0008","30.8839","0.0013","11.3262","0.0004","90","","90","","90","","6422.2","0.5","193","","193","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Zn-MOF","","- C16 H21 N2 O6 Zn -","- C16 H21 N2 O6 Zn -","- C128 H168 N16 O48 Zn8 -","8","1","","Chen, Mao-Long; Qi, Zhen-Li; Jin, Wan-Ting; Xu, Zhou; Cheng, Yun-Hui; Zhou, Zhao-Hui","Cation exchange in a fluorescent zinc-based metal–organic framework for cadmium ion detection","CrystEngComm","2021","23","42","7442","7449","10.1039/D1CE00931A","","x-ray","1.54184","CuKα","","0.0772","0.07","","","0.1844","0.1901","","","","","","1.079","","","","has coordinates","270418","2021-11-06","19:49:37",""
"7243616","6.6218","0.0004","9.3168","0.0008","9.4721","0.0007","114.317","0.007","95.498","0.006","105.293","0.007","499.59","0.08","290.77","0.11","290.77","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C7 H6 In N O8 P -","- C7 H6 In N O8 P -","- C14 H12 In2 N2 O16 P2 -","2","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","1.54184","CuKα","","0.0501","0.0489","","","0.126","0.1273","","","","","","1.088","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243617","7.8667","0.0004","16.1141","0.0006","21.1102","0.0014","90","","90.836","0.005","90","","2675.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 Ga N O11 P -","- C8 H9 Ga N O11 P -","- C64 H72 Ga8 N8 O88 P8 -","8","1","","Huang, Lijuan; Xu, Haiping; Zhao, Yan; Huang, Ling; Bi, Jian; Zeng, Hongmei; Zou, Guohong; Gao, Daojiang; Lin, Zhien","Isonicotinic acid-templated metal phosphate–oxalates: solvent-free synthesis, luminescence, and proton conduction","CrystEngComm","2021","23","39","6855","6858","10.1039/D1CE00873K","","x-ray","0.71073","MoKα","","0.0484","0.0393","","","0.0916","0.0965","","","","","","1.07","","","","has coordinates","270432","2021-11-06","19:52:15",""
"7243618","3.8635","0.0001","26.708","0.001","12.5375","0.0003","90","","90.609","0.003","90","","1293.63","0.07","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H11 F2 N -","- C19 H11 F2 N -","- C76 H44 F8 N4 -","4","1","","Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang","Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations","Green Chemistry","2021","23","20","7950","7955","10.1039/D1GC02303A","","","1.54184","CuKα","","0.0465","0.0459","","","0.1169","0.1172","","","","","","1.176","","","","has coordinates","270461","2021-11-06","20:14:15",""
"7243619","11.0913","0.0014","16.1163","0.0018","9.1839","0.0009","90","","90","","90","","1641.6","0.3","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","0.5","","Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang","Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations","Green Chemistry","2021","23","20","7950","7955","10.1039/D1GC02303A","","","1.54184","CuKα","","0.067","0.0498","","","0.1344","0.1468","","","","","","1.091","","","","has coordinates","270461","2021-11-06","20:14:17",""
"7243620","7.1916","0.0003","8.2658","0.0004","13.5299","0.0005","87.021","0.004","75.797","0.004","68.795","0.005","726.3","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H11 Cl2 N -","- C19 H11 Cl2 N -","- C38 H22 Cl4 N2 -","2","1","","Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang","Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations","Green Chemistry","2021","23","20","7950","7955","10.1039/D1GC02303A","","","1.54184","CuKα","","0.0496","0.0432","","","0.1269","0.1327","","","","","","1.087","","","","has coordinates","270461","2021-11-06","20:14:18",""
"7243621","12.6441","0.0002","17.5664","0.0003","15.456","0.0003","90","","114.037","0.002","90","","3135.26","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C168 H136 N8 O16 -","8","2","","Xiang, Shiqun; Fan, Weibin; Zhang, Wei; Li, Yinghua; Guo, Shiwei; Huang, Deguang","Aqueous CO2 fixation: construction of pyridine skeletons in cooperation with ammonium cations","Green Chemistry","2021","23","20","7950","7955","10.1039/D1GC02303A","","","1.54184","CuKα","","0.0466","0.0402","","","0.103","0.1074","","","","","","1.05","","","","has coordinates","270461","2021-11-06","20:14:18",""
"7243622","39.9546","0.0006","39.9546","0.0006","39.9546","0.0006","90","","90","","90","","63782.3","1.7","100","2","100","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C172 H352 N24 O117 Pt4 S4 -","- C104 H80 N24 O29.3333 Pt4 S3.33333 -","- C1248 H960 N288 O352 Pt48 S40 -","12","0.25","","Aoki, Kentaro; Otsubo, Kazuya; Kitagawa, Hiroshi","A square-shaped complex with an electron-acceptor ligand: unique cubic crystal symmetry and similarity to the inorganic mineral katoite","CrystEngComm","2021","23","43","7691","7697","10.1039/D1CE00994J","","","0.71075","MoKα","","0.2014","0.0664","","","0.1466","0.2012","","","","","","0.983","","","","has coordinates","271166","2021-12-07","03:04:43",""
"7243623","27.0123","0.0016","21.1322","0.0011","11.5913","0.0006","90","","90","","90","","6616.7","0.6","298","2","298","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C28 H30 Eu N2 O19.5 -","- C28 H15 Eu N2 O12 -","- C224 H120 Eu8 N16 O96 -","8","1","","Wang, Cui-Li; Zheng, Ya-Xin; Chen, Le; Zhu, Cai-Yong; Gao, Wei; Li, Peng; Jie-Ping, Liu; Zhang, Xiu-Mei","The construction of a multifunctional luminescent Eu-MOF for the sensing of Fe3+, Cr2O72− and amines in aqueous solution","CrystEngComm","2021","23","43","7581","7589","10.1039/D1CE01192H","","","0.71073","MoKα","","0.0401","0.0266","","","0.0571","0.0628","","","","","","1.041","","","","has coordinates","271164","2021-12-07","03:02:46",""
"7243624","8.24","0.0002","34.3199","0.0008","12.7556","0.0003","90","","93.197","0.001","90","","3601.62","0.15","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H120 N15 O6 V3 -","- C57 H120 N15 O6 V3 -","- C114 H240 N30 O12 V6 -","2","0.5","","Kikukawa, Yuji; Kawabata, Hiroko; Hayashi, Yoshihito","Synthesis of cyanooxovanadate and cyanosilylation of ketones","RSC Advances","2021","11","50","31688","31692","10.1039/D1RA05879G","","","1.54178","CuKα","","0.0835","0.0711","","","0.1832","0.194","","","","","","1.058","","","","has coordinates,has disorder","269357","2021-09-29","01:28:56",""
"7243625","10.4592","0.0006","11.9988","0.0007","12.1578","0.0007","95.789","0.001","97.053","0.001","91.219","0.001","1505.63","0.15","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Cd N4 O7 -","- C31 H32 Cd N4 O7 -","- C62 H64 Cd2 N8 O14 -","2","1","","Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang","Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors","RSC Advances","2021","11","50","31756","31765","10.1039/D1RA04411G","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0387","","","0.0757","0.0842","","","","","","1.006","","","","has coordinates","269358","2021-09-29","01:30:09",""
"7243626","9.3563","0.0018","9.873","0.002","17.234","0.003","77.943","0.004","75.068","0.004","71.533","0.004","1444.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.03 H30.55 Cd Cl0.24 N4 O5.52 -","- C31.032 H30.548 Cd Cl0.242 N4 O5.516 -","- C62.064 H61.096 Cd2 Cl0.484 N8 O11.032 -","2","1","","Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang","Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors","RSC Advances","2021","11","50","31756","31765","10.1039/D1RA04411G","","","0.71073","MoKα","","0.1092","0.0619","","","0.1307","0.1521","","","","","","0.999","","","","has coordinates,has disorder","269358","2021-09-29","01:30:14",""
"7243627","8.9887","0.0003","10.5199","0.0004","17.3822","0.0006","79.35","0.001","76.852","0.001","67.523","0.001","1470.22","0.09","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cd N4 O7 -","- C30 H28 Cd N4 O6 -","- C60 H56 Cd2 N8 O12 -","2","1","","Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang","Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors","RSC Advances","2021","11","50","31756","31765","10.1039/D1RA04411G","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0255","","","0.062","0.065","","","","","","1.021","","","","has coordinates,has disorder","269358","2021-09-29","01:30:25",""
"7243628","11.287","0.002","11.583","0.002","15.893","0.003","74.88","0.03","86.45","0.03","66.47","0.03","1837","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N O10.5 -","- C18 H22 N O10.5 -","- C72 H88 N4 O42 -","4","2","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.1186","0.0618","","","0.142","0.1723","","","","","","0.951","","","","has coordinates","269375","2021-09-29","22:45:04",""
"7243629","9.4396","0.0019","11.62","0.002","13.907","0.003","90","","91.59","0.03","90","","1524.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O9 -","- C16 H16 O9 -","- C64 H64 O36 -","4","1","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.0621","0.0544","","","0.1419","0.1469","","","","","","1.036","","","","has coordinates","269375","2021-09-29","22:45:05",""
"7243630","8.4936","0.0017","16.17","0.003","11.847","0.002","90","","109.38","0.03","90","","1534.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O10 S -","- C16 H16 O10 S -","- C64 H64 O40 S4 -","4","1","","Le , Anh T.; Tran, Thanh Van Thi; Le, Duan T.; Gomila, Rosa Maria; Frontera, Antonio; Zubkov, Fedor Ivanovich","Synthesis, X-ray characterization and theoretical study of all-cis 1,4:2,3:5,8:6,7-tetraepoxynaphthalenes: on the importance of through-space α-effect","CrystEngComm","2021","","","","","10.1039/D1CE01040A","","","0.9699","synchrotron","","0.0931","0.067","","","0.159","0.1783","","","","","","1.005","","","","has coordinates","269375","2021-09-29","22:45:05",""
"7243631","10.6218","0.0008","11.3383","0.0008","12.3181","0.0009","68.588","0.002","88.724","0.002","85.755","0.002","1377.31","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","- C55 H50 Br4 Cl6 N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0522","0.0517","","","0.2067","0.2071","","","","","","1.075","","","","has coordinates,has disorder","270444","2021-11-06","19:57:36",""
"7243632","7.803","0.002","11.554","0.003","15.741","0.004","72.604","0.005","89.478","0.005","83.484","0.005","1345","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","- C60 H64 Br4 N4 O6 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0402","0.0334","","","0.1002","0.1356","","","","","","1.049","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243633","11.3807","0.0008","11.6442","0.0008","13.1925","0.0009","83.978","0.003","66.041","0.003","86.807","0.003","1588.64","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","- C68 H76 Br4 N4 O12 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0458","0.0378","","","0.0939","0.0976","","","","","","1.036","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243634","6.588","0.0003","14.1875","0.0007","15.2526","0.0007","64.022","0.002","82.732","0.002","85.997","0.002","1271.11","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","- C55 H51 Br4 Cl N4 O4 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0431","0.041","","","0.1215","0.1233","","","","","","1.068","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243635","6.5928","0.0011","14.239","0.002","15.231","0.003","63.995","0.005","82.597","0.005","85.988","0.005","1274.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","- C56 H54 Br4 N4 O5 -","1","0.5","","Tominaga, Masahide; Shinkawa, Shoyo; Hyodo, Tadashi; Yamaguchi, Kentaro","Dynamic behavior of macrocycle-based organic frameworks in single-crystal to single-crystal guest exchanges","CrystEngComm","2021","23","40","7039","7043","10.1039/D1CE01003D","","","1.54178","CuKα","","0.0538","0.0508","","","0.1525","0.1582","","","","","","1.082","","","","has coordinates,has disorder","270444","2021-11-06","19:57:37",""
"7243636","32.1757","0.0018","32.1757","0.0018","13.5257","0.0011","90","","90","","120","","12126.8","1.4","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","","","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","- C360 H312 Cu15 I19 N24 O48 S24 -","1","0.0833333","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","","1.54184","CuKα","","0.2253","0.1534","","","0.323","0.3443","","","","","","1.032","","","","has coordinates,has disorder","270442","2021-11-06","19:56:52",""
"7243637","21.5046","0.0017","16.0447","0.0006","23.0476","0.0014","90","","115.557","0.009","90","","7174.2","0.9","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H110 Cu8 I8 N10 O16 S8 -","- C124 H110 Cu8 I8 N10 O16 S8 -","- C248 H220 Cu16 I16 N20 O32 S16 -","2","0.5","","Hu, Chu-Xing; Xuan, Ya-Hui; Jiang, Zi-Hao; Lu, Tao; Yang, Jie; Yuan, Hui; Tian, You-Ping; Sun, Zheng-Guang; Jiang, Xuan-Feng","Self-assembly of cuprous iodide cluster-based calix[4]resorcinarenes and photocatalytic properties","CrystEngComm","2021","23","40","7179","7185","10.1039/D1CE01069G","","x-ray","0.71073","MoKα","","0.1169","0.0605","","","0.0987","0.1265","","","","","","0.9434","","","","has coordinates","270442","2021-11-06","19:56:53",""
"7243638","18.1803","0.0007","9.4604","0.0003","9.0591","0.0003","90","","99.762","0.004","90","","1535.54","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu Fe N2 S2 -","- C15 H15 Cu Fe N2 S2 -","- C60 H60 Cu4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0522","0.0376","","","0.0718","0.0775","","","","","","1.046","","","","has coordinates","271158","2021-12-07","02:53:16",""
"7243639","18.0463","0.0004","9.80453","0.00019","9.3793","0.0002","90","","100.689","0.002","90","","1630.74","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag Fe N2 S2 -","- C15 H15 Ag Fe N2 S2 -","- C60 H60 Ag4 Fe4 N8 S8 -","4","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0341","0.0287","","","0.0568","0.0586","","","","","","1.147","","","","has coordinates","271158","2021-12-07","02:53:19",""
"7243640","5.9876","0.0003","17.204","0.0008","17.2608","0.0008","89.062","0.008","84.677","0.008","87.989","0.007","1769.13","0.15","150","2","149.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C29 H31 Cl3 Cu2 Fe2 I2 N2 S4 -","- C58 H62 Cl6 Cu4 Fe4 I4 N4 S8 -","2","1","","Singh, Ayushi; Trivedi, Manoj; Kociok-Köhn, Gabriele; Singh, Ashish Kumar; Muddassir, Mohd.; Kumar, Abhinav","Ferrocenyl thiazolidine-2-thione ornamented 1D coordination polymers derived from coinage metal halides and pseudohalides","CrystEngComm","2021","23","44","7794","7804","10.1039/D1CE01147B","","x-ray","0.71073","MoKα","","0.0636","0.0486","","","0.0966","0.1018","","","","","","1.122","","","","has coordinates","271158","2021-12-07","02:53:29",""
"7243641","9.8374","0.0005","13.8773","0.0007","14.1652","0.0008","90","","93.26","0.005","90","","1930.65","0.18","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H41 Cu2 Mo7 N7 O31.5 V -","- C8 H41 Cu2 Mo7 N7 O31.5 V -","- C16 H82 Cu4 Mo14 N14 O63 V2 -","2","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Iryna V.; Shishkina, Svitlana V.; Bieńko, Alina; Pavliuk, Mariia V.; Shylin, Sergii I.","Hybrid compound based on diethylenetriaminecopper(ii) cations and scarce V-monosubstituted β-octamolybdate as water oxidation catalyst","RSC Advances","2021","11","51","32119","32125","10.1039/D1RA05030C","","x-ray","0.71073","MoKα","","0.0879","0.0573","","","0.1405","0.1721","","","","","","1.054","","","","has coordinates,has disorder","269395","2021-09-30","01:44:38",""
"7243642","7.7587","0.0005","18.0168","0.0012","19.756","0.0013","104.844","0.002","98.14","0.002","92.385","0.002","2633.8","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C114 H108 N12 O18 S6 -","6","3","","Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang","A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines","RSC Advances","2021","11","50","31152","31158","10.1039/D1RA06330H","","","0.71073","MoKα","","0.0924","0.05","","","0.1086","0.1243","","","","","","1.026","","","","has coordinates","269396","2021-09-30","01:45:47",""
"7243643","33.074","0.019","7.648","0.004","16.25","0.009","90","","111.766","0.006","90","","3817","4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N2 O4 S -","- C20 H22 N2 O4 S -","- C160 H176 N16 O32 S8 -","8","1","","Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang","A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines","RSC Advances","2021","11","50","31152","31158","10.1039/D1RA06330H","","","0.71073","MoKα","","0.0477","0.0391","","","0.1047","0.1114","","","","","","1.036","","","","has coordinates","269396","2021-09-30","01:46:02",""
"7243644","10.929","0.018","10.763","0.018","15.62","0.03","90","","109.953","0.017","90","","1727","5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang","A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines","RSC Advances","2021","11","50","31152","31158","10.1039/D1RA06330H","","","0.71073","MoKα","","0.1629","0.0968","","","0.1674","0.1968","","","","","","1.157","","","","has coordinates","269396","2021-09-30","01:46:20",""
"7243645","12.3959","0.0011","23.352","0.002","11.4368","0.001","90","","95.28","0.007","90","","3296.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Cl2 Fe N2 P -","- C12 H21 Cl2 Fe N2 P -","- C96 H168 Cl16 Fe8 N16 P8 -","8","2","","Blahut, Jan; Benda, Ladislav; Lejeune, Arthur L.; Sanders, Kevin J.; Burcher, Benjamin; Jeanneau, Erwann; Proriol, David; Catita, Leonor; Breuil, Pierre-Alain R.; Quoineaud, Anne-Agathe; Pell, Andrew J.; Pintacuda, Guido","Proton-detected fast-magic-angle spinning NMR of paramagnetic inorganic solids","RSC Advances","2021","11","47","29870","29876","10.1039/D1RA04110J","","x-ray","0.71073","MoKα","","0.0764","0.0617","","","0.1544","0.1697","","","","","","1.053","","","","has coordinates","269397","2021-09-30","01:47:20",""
"7243646","7.4967","0.0002","10.2891","0.0003","20.1177","0.0005","79.821","0.001","87.171","0.001","74.152","0.001","1469.28","0.07","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H33 Cl2 K N6 O3 Pt -","- C25 H33 Cl2 K N6 O3 Pt -","- C50 H66 Cl4 K2 N12 O6 Pt2 -","2","1","","Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro","Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions","RSC Advances","2021","11","48","30046","30053","10.1039/D1RA05236E","","","1.54178","CuKα","","0.027","0.0251","","","0.0622","0.0633","","","","","","1.051","","","","has coordinates,has disorder","269398","2021-09-30","01:47:56",""
"7243647","41.7895","0.0009","8.5044","0.0002","21.2104","0.0004","90","","107.837","0.001","90","","7175.7","0.3","90","","90","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15.25 H11.25 Cl2 K N3.75 O0.75 Pt -","- C15.25 H11.25 Cl2 K N3.75 O0.75 Pt -","- C244 H180 Cl32 K16 N60 O12 Pt16 -","16","4","","Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro","Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions","RSC Advances","2021","11","48","30046","30053","10.1039/D1RA05236E","","","1.54178","CuKα","","0.0394","0.0335","","","0.0793","0.085","","","","","","1.064","","","","has coordinates","269398","2021-09-30","01:47:57",""
"7243648","14.8126","0.0013","11.5893","0.0009","18.701","0.0015","90","","91.746","0.002","90","","3208.9","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Boscalid","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas","Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides","Green Chemistry","2021","","","","","10.1039/D1GC02602J","","","0.71073","MoKα","","0.1146","0.0537","","","0.1205","0.1473","","","","","","1.032","","","","has coordinates","269414","2021-09-30","23:48:58",""
"7243649","12.8826","0.0006","9.2515","0.0005","28.4963","0.0012","90","","90","","90","","3396.3","0.3","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Fluxapyroxad","","","- C18 H12 F5 N3 O -","- C18 H12 F5 N3 O -","- C144 H96 F40 N24 O8 -","8","1","","Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas","Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides","Green Chemistry","2021","","","","","10.1039/D1GC02602J","","","1.54178","CuKα","","0.1054","0.051","","","0.0997","0.1203","","","","","","1.021","","","","has coordinates,has disorder","269414","2021-09-30","23:48:58",""
"7243650","11.8929","0.0007","18.0476","0.0011","8.6239","0.0005","90","","110.092","0.0015","90","","1738.37","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bixafen","","","- C18 H12 Cl2 F3 N3 O -","- C18 H12 Cl2 F3 N3 O -","- C72 H48 Cl8 F12 N12 O4 -","4","1","","Orecchia, Patrizio; Petkova, Desislava Slavcheva; Goetz, Roland; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas","Pd-Catalysed Suzuki‒Miyaura cross-coupling of aryl chlorides at low catalyst loadings in water for the synthesis of industrially important fungicides","Green Chemistry","2021","","","","","10.1039/D1GC02602J","","","0.71073","MoKα","","0.0968","0.0523","","","0.1039","0.1227","","","","","","1.019","","","","has coordinates","269414","2021-09-30","23:48:58",""
"7243651","15.4459","0.0006","7.45856","0.00017","16.2431","0.0006","90","","118.081","0.005","90","","1650.99","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Wang, Lin-Xuan; Qiu, Bin; An, Xiao-De; Dong, Pei-Zhen; Liu, Rui-Bin; Xiao, Jian","Organocatalytic cascade aldimine condensation/[1,6]-hydride transfer/Mannich-type cyclization: sustainable access to indole-2,3-fused diazocanes","Green Chemistry","2021","23","20","8181","8186","10.1039/D1GC02570H","","","1.54184","CuKα","","0.0518","0.045","","","0.1197","0.1254","","","","","","1.06","","","","has coordinates","270458","2021-11-06","20:13:30",""
"7243652","4.57964","0.00007","5.58662","0.00008","4.9692","0.00007","90","","90","","90","","127.136","0.003","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Fe2.667 O8 W1.333 -","- Fe2.6668 O8 W1.3332 -","- Fe2.6668 O8 W1.3332 -","1","0.125","","Quarez, Éric; Espinosa-Angeles, Julio César; Crosnier, Olivier; Joubert, Olivier; Brousse, Thierry","Revisiting the five-decade-old structure of the Fe2WO6 powder with incommensurate modulations","CrystEngComm","2021","23","41","7298","7304","10.1039/D1CE00916H","powder diffraction","x-ray","1.54186","","","0.0417","0.0381","","0.0449","0.0442","","","","1.33","","","","","","","has coordinates","270416","2021-11-06","19:48:23",""
"7243653","9.8424","0.0018","9.9803","0.0019","10.836","0.002","95.012","0.008","109.791","0.008","107.971","0.008","930.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 Co N2 O9 -","- C18 H19 Co N2 O9 -","- C36 H38 Co2 N4 O18 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0397","0.0317","","","0.0776","0.0812","","","","","","1.052","","","","has coordinates","270420","2021-11-06","19:50:13",""
"7243654","10.4474","0.0009","12.2491","0.001","13.1227","0.0011","77.35","0.005","76.486","0.005","74.932","0.005","1554.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Co N4 O8 -","- C30 H38 Co N4 O8 -","- C60 H76 Co2 N8 O16 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0865","0.0477","","","0.1103","0.1235","","","","","","1.03","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243655","10.4957","0.0003","10.1234","0.0003","16.807","0.0005","90","","106.706","0.002","90","","1710.41","0.09","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Co N3 O6 -","- C17 H18 Co N3 O6 -","- C68 H72 Co4 N12 O24 -","4","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0773","0.0479","","","0.1293","0.147","","","","","","1.039","","","","has coordinates","270420","2021-11-06","19:50:14",""
"7243656","9.1047","0.0007","11.1545","0.0008","22.7393","0.0017","99.678","0.004","93.31","0.004","106.073","0.004","2174.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co1.5 N6 O17 -","- C36 H50 Co1.5 N6 O17 -","- C72 H100 Co3 N12 O34 -","2","1","","Hu, Ji-Hong; Liu, Yuan-Chin; Chen, Jhy-Der","Cobalt(ii) coordination polymers constructed from bis(N-pyrid-3-ylmethyl)adipoamide and polycarboxylic acids: reversible structural transformation upon proton delivery and removal","CrystEngComm","2021","23","42","7471","7478","10.1039/D1CE01216A","","","0.71073","MoKα","","0.0622","0.0492","","","0.1493","0.1582","","","","","","1.055","","","","has coordinates,has disorder","270420","2021-11-06","19:50:14",""
"7243657","22.271","0.002","22.271","0.002","12.529","0.0016","90","","90","","90","","6214.4","1.1","295","2","295","","","","","","","","","5","P 42/n :2","-P 4bc","86","","Ni4AQ","","- C124 H108 N4 Ni O8 -","- C124 H108 N4 Ni O8 -","- C248 H216 N8 Ni2 O16 -","2","0.25","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","","1.54178","CuKα","","0.1197","0.0972","","","0.2893","0.3111","","","","","","1.189","","","","has coordinates,has disorder","271162","2021-12-07","02:55:25",""
"7243658","20.4751","0.0003","20.4751","0.0003","13.4593","0.001","90","","90","","90","","5642.5","0.4","100","0.1","100","0.1","","","","","","","","5","P -4","P -4","81","","Ni4TQ","","- C140.3 H117.1 N4 Ni O8 -","- C140.304 H117.112 N4 Ni O8 -","- C280.608 H234.224 N8 Ni2 O16 -","2","0.5","","Chen, Chen; Li, Dan; Cao, Guanyue; Qin, Zhonghe; Xu, Yi; Liu, Xiujun; Li, Qizhao; Xie, Yongshu; Li, Chengjie","Solvent-regulated biomorphs from the intense π,π-mediated assemblies of tetracenequinone fused porphyrin","CrystEngComm","2021","23","43","7565","7569","10.1039/D1CE01173A","","x-ray","1.54184","CuKα","","0.0909","0.0708","","","0.1993","0.2207","","","","","","1.059","","","","has coordinates,has disorder","271162","2021-12-07","02:55:37",""
"7243659","7.3361","0.0004","11.8575","0.0007","12.8075","0.0008","70.641","0.002","78.588","0.002","76.401","0.002","1012.86","0.1","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N7 O2 S -","- C21 H23 N7 O2 S -","- C42 H46 N14 O4 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1237","0.0756","","","0.1675","0.1936","","","","","","1.037","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243660","16.2967","0.0012","8.5063","0.0005","21.3502","0.0014","90","","108.21","0.002","90","","2811.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N7 O6 S -","- C28 H31 N7 O6 S -","- C112 H124 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.1427","0.0729","","","0.1651","0.2041","","","","","","1.049","","","","has coordinates","269540","2021-10-04","20:44:44",""
"7243661","8.6083","0.0006","21.2446","0.0019","33.276","0.003","90","","90","","90","","6085.5","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 N7 O7 S -","- C30 H35 N7 O7 S -","- C240 H280 N56 O56 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0766","0.0557","","","0.1408","0.1553","","","","","","1.033","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243662","36.464","0.006","8.7361","0.0017","24.937","0.005","90","","132.658","0.006","90","","5842","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H33 N7 O6 S -","- C29 H33 N7 O6 S -","- C232 H264 N56 O48 S8 -","8","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.068","0.0658","","","0.1852","0.187","","","","","","1.086","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243663","16.4349","0.0008","8.4148","0.0005","22.4426","0.0012","90","","103.464","0.002","90","","3018.4","0.3","100","2","99.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N7 O8 S -","- C29 H35 N7 O8 S -","- C116 H140 N28 O32 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0562","0.047","","","0.1188","0.1266","","","","","","1.048","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243664","16.0673","0.0017","8.5659","0.0009","23.125","0.002","90","","106.194","0.003","90","","3056.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N8 O6 S -","- C32 H34 N8 O6 S -","- C128 H136 N32 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0735","0.0612","","","0.1296","0.1355","","","","","","1.127","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243665","8.687","0.0014","10.446","0.002","16.411","0.003","77.708","0.009","77.031","0.008","74.897","0.009","1382.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C56 H58 N14 O12 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0368","0.0341","","","0.0946","0.1011","","","","","","1.071","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243666","7.499","0.002","14.142","0.004","15.071","0.003","77.4","0.011","77.647","0.013","86.005","0.014","1523.2","0.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N7 O10 S -","- C28 H37 N7 O10 S -","- C56 H74 N14 O20 S2 -","2","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0615","0.0588","","","0.1661","0.1713","","","","","","1.164","","","","has coordinates","269540","2021-10-04","20:44:45",""
"7243667","8.5756","0.0003","22.7659","0.0008","14.185","0.0005","90","","90.794","0.001","90","","2769.09","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N7 O6 S -","- C28 H29 N7 O6 S -","- C112 H116 N28 O24 S4 -","4","1","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.0523","0.0483","","","0.1214","0.1244","","","","","","1.069","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243668","11.358","0.004","14.023","0.006","16.34","0.006","105.473","0.011","91.683","0.011","97.049","0.016","2484","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H31 N7 O3 S -","- C25 H31 N7 O3 S -","- C100 H124 N28 O12 S4 -","4","2","","Rai, Sunil K.; Baidya, Debjani; Nangia, Ashwini K.","Salts, solvates and hydrates of the multi-kinase inhibitor drug pazopanib with hydroxybenzoic acids","CrystEngComm","2021","23","35","5994","6011","10.1039/D1CE00785H","","","0.71073","MoKα","","0.048","0.0427","","","0.1104","0.1153","","","","","","1.131","","","","has coordinates","269540","2021-10-04","20:44:46",""
"7243669","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243670","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Soltani, Sajjad; Akhbari, Kamran; White, Jonathan","Effect of structural features on the stability and bactericidal potential of two cadmium coordination polymers","CrystEngComm","2021","23","42","7450","7461","10.1039/D1CE00979F","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","270428","2021-11-06","19:51:30",""
"7243671","13.247","0.006","7.6192","0.0016","15.469","0.01","90","","92.42","0.06","90","","1559.9","1.3","394","2","394","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl N6 O5 S -","- C30 H31 Cl N6 O5 S -","- C60 H62 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.4052","0.0956","","","0.1217","0.2293","","","","","","0.961","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243672","14.727","0.003","23.437","0.005","5.987","0.0012","90","","90","","90","","2066.5","0.7","100","0.2","100","0.2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H28 Cd N2 O5 -","- C22 H28 Cd N2 O5 -","- C88 H112 Cd4 N8 O20 -","4","0.5","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710918","Synchrotron","","0.0471","0.0461","","","0.1247","0.1255","","","","","","1.113","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243673","9.306","0.0019","10.76","0.002","10.904","0.002","114.49","0.03","104.24","0.03","103.92","0.03","887.5","0.5","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O4 -","- C20 H18 Cd N2 O4 -","- C40 H36 Cd2 N4 O8 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","","0.710913","Synchrotron","","0.037","0.0361","","","0.0997","0.1005","","","","","","1.114","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243674","15.4711","0.0018","7.0655","0.0006","13.0349","0.0012","90","","104.993","0.011","90","","1376.4","0.2","120","2","120","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C29 H29 Cl N6 O5 S -","- C29 H29 Cl N6 O5 S -","- C58 H58 Cl2 N12 O10 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.1","0.0689","","","0.1092","0.1229","","","","","","1.017","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243675","14.5891","0.0008","7.5159","0.0003","15.6522","0.0009","90","","113.725","0.007","90","","1571.22","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H35 Cl N6 O6 S -","- C31 H35 Cl N6 O6 S -","- C62 H70 Cl2 N12 O12 S2 -","2","1","","Gundlapalli, Suman; Devarapalli, Ramesh; Mudda, Ramesh Reddy; Chennuru, Ramanaiah; Rupakula, Ravichandrababu","Novel solid forms of insomnia drug suvorexant with improved solubility and dissolution: accessing salts from a salt solvate route","CrystEngComm","2021","23","44","7739","7749","10.1039/D1CE01269J","","x-ray","0.71073","MoKα","","0.0616","0.0509","","","0.0961","0.1059","","","","","","1.045","","","","has coordinates","271157","2021-12-07","02:52:55",""
"7243676","8.175","0.0004","11.225","0.0005","12.1741","0.0005","76.648","0.002","86.085","0.002","70.908","0.002","1027.13","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 N3 O10 U2 -","- C17 H13 N3 O10 U2 -","- C34 H26 N6 O20 U4 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0389","0.0252","","","0.0557","0.063","","","","","","1.157","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243677","10.4295","0.0005","10.5028","0.0006","11.5621","0.0006","63.375","0.002","74.261","0.002","80.69","0.002","1088.56","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 N3 O11 Pb U -","- C18 H16 N3 O11 Pb U -","- C36 H32 N6 O22 Pb2 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0209","0.0203","","","0.0466","0.0468","","","","","","1.192","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243678","8.7682","0.0002","16.9333","0.0005","28.1757","0.0007","90","","98.6612","0.0013","90","","4135.67","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N7 Ni O12.5 U -","- C32 H25 N7 Ni O12.5 U -","- C128 H100 N28 Ni4 O50 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.038","0.0337","","","0.0747","0.0763","","","","","","1.093","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243679","18.5799","0.0005","18.5799","0.0005","42.3462","0.0013","90","","90","","90","","14618.4","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C64 H60 N14 Ni2 O29 U2 -","- C64 H42 N14 Ni2 O29 U2 -","- C512 H336 N112 Ni16 O232 U16 -","8","2","","Thuéry, Pierre; Harrowfield, Jack","Uranyl ion complexes with 2,2′:6′,2′′-terpyridine-4′-carboxylate. Interpenetration of networks involving “expanded ligands”","CrystEngComm","2021","23","41","7305","7313","10.1039/D1CE01215K","","","0.71073","MoKα","","0.0383","0.036","","","0.08","0.081","","","","","","1.159","","","","has coordinates","270411","2021-11-06","19:47:26",""
"7243680","12.125","0.003","26.995","0.005","21.902","0.005","90","","90.493","0.012","90","","7169","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C160 H176 Ag8 O12 Pt4 S16 -","- C140 H172 Ag8 Pt4 S16 -","- C280 H344 Ag16 Pt8 S32 -","2","0.25","","Cheng, Xinglian; Sui, Xin; Xu, Jiayu; Liu, Xu; Chen, Mingyang; Zhu, Yan","On the photocatalysis evolution of heteroatom-doped Ag4M2 nanoclusters","RSC Advances","2021","11","52","32526","32532","10.1039/D1RA06388J","","","0.71073","MoKα","","0.0517","0.0293","","","0.052","0.059","","","","","","0.977","","","","has coordinates","269556","2021-10-05","01:20:40",""
"7243681","9.2609","0.0019","24.972","0.005","9.6398","0.0019","90","","109.03","0.03","90","","2107.5","0.8","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N5 O2 S -","- C21 H25 N5 O2 S -","- C84 H100 N20 O8 S4 -","4","1","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","","","","0.132","","","","","","","","","","","","","","","has coordinates","270448","2021-11-06","19:59:25",""
"7243682","5.7687","0.0012","7.8235","0.0016","35.517","0.007","90","","91.67","0.03","90","","1602.3","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","DAP-PYR (2:1)","","- C33 H37 N7 O4 S2 -","- C33 H37 N7 O4 S2 -","- C66 H74 N14 O8 S4 -","2","0.5","","Zhao, Chenyang; Li, Wanya; Li, Zhonghua; Hu, Weiguo; Zhang, Suoqing; Wu, Songgu","Preparation and solid-state characterization of dapsone pharmaceutical cocrystals through the supramolecular synthon strategy","CrystEngComm","2021","23","38","6690","6702","10.1039/D1CE00945A","","","0.71073","MoKα","","0.0645","0.0481","","","0.1123","0.1227","","","","","","1.079","","","","has coordinates,has disorder","270448","2021-11-06","19:59:26",""
"7243683","7.8228","0.0003","13.8222","0.0006","16.4334","0.0008","90","","90","","90","","1776.92","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0296","0.0226","","","0.0467","0.0487","","","","","","1.042","","","","has coordinates","271159","2021-12-07","02:53:53",""
"7243684","7.8558","0.0003","13.8616","0.0005","16.5205","0.0007","90","","90","","90","","1798.98","0.12","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0403","0.0262","","","0.0507","0.0546","","","","","","0.992","","","","has coordinates","271159","2021-12-07","02:53:56",""
"7243685","7.9139","0.0003","13.9195","0.0006","16.6734","0.0008","90","","90","","90","","1836.7","0.14","315","2","315","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0536","0.0282","","","0.0444","0.0494","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:58",""
"7243686","7.9357","0.0003","13.9514","0.0006","16.7733","0.0008","90","","90","","90","","1857.04","0.14","350","2","350","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0676","0.034","","","0.0543","0.0619","","","","","","1.027","","","","has coordinates","271159","2021-12-07","02:53:59",""
"7243687","7.9192","0.0003","13.9256","0.0006","16.7036","0.0008","90","","90","","90","","1842.07","0.14","330","2","330","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0589","0.0314","","","0.0518","0.0577","","","","","","1.038","","","","has coordinates","271159","2021-12-07","02:54:01",""
"7243688","7.9171","0.0003","13.9272","0.0005","16.6694","0.0007","90","","90","","90","","1838.02","0.12","305","2","305","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0575","0.031","","","0.0491","0.0549","","","","","","1.022","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243689","7.8962","0.0003","13.9023","0.0005","16.6281","0.0008","90","","90","","90","","1825.36","0.13","290","2","290","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0483","0.0268","","","0.0453","0.0502","","","","","","1.026","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243690","7.8377","0.0003","13.8396","0.0006","16.4718","0.0008","90","","90","","90","","1786.71","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0363","0.0258","","","0.0492","0.0521","","","","","","1.036","","","","has coordinates","271159","2021-12-07","02:54:05",""
"7243691","7.8755","0.0003","13.8822","0.0005","16.5729","0.0007","90","","90","","90","","1811.9","0.12","250","2","250","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H20 Br3 Na O5 Pb -","- C10 H20 Br3 Na O5 Pb -","- C40 H80 Br12 Na4 O20 Pb4 -","4","0.5","","Yuan, Guo-Jun; Zhou, Hong; Li, Li; Chen, Hong; Ren, Xiao-Ming","Supramolecular [Na(15-crown-5)]+ cations anchored to face-sharing octahedral lead bromide chains featuring a rotor-like one-dimensional perovskite with a reversible isostructural phase transition near room temperature","CrystEngComm","2021","23","44","7787","7793","10.1039/D1CE01273H","","","0.71073","MoKα","","0.0474","0.0272","","","0.0496","0.0543","","","","","","1.031","","","","has coordinates","271159","2021-12-07","02:54:08",""
"7243692","13.6568","0.001","4.4427","0.0003","18.6786","0.0014","90","","101.195","0.001","90","","1111.72","0.14","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H19 N2 O8 Pb2 -","- C19 H19 N2 O8 Pb2 -","- C38 H38 N4 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.0582","0.0534","","","0.1291","0.1327","","","","","","1.128","","","","has coordinates,has disorder","271169","2021-12-07","03:05:41",""
"7243693","18.508","0.002","4.0982","0.0005","18.984","0.002","90","","96.68","0.002","90","","1430.2","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H24 N4 O8 Pb2 -","- C28 H24 N4 O8 Pb2 -","- C56 H48 N8 O16 Pb4 -","2","0.5","","Peedikakkal, Abdul Malik P.; Jalilov, Almaz S.; Shaikh, Abdul Rajjak; Kalanthoden, Abdul Nasar; Al-Saadi, Abdulaziz A.","Blue- and white-light-emitting 2D-coordination polymers and their solid-state photodimerization reaction","CrystEngComm","2021","23","43","7663","7670","10.1039/D1CE00991E","","","0.71073","MoKα","","0.062","0.0489","","","0.1202","0.1274","","","","","","1.057","","","","has coordinates,has disorder","271169","2021-12-07","03:05:44",""
"7243694","21.4117","0.0012","11.5851","0.0006","25.3771","0.0014","90","","103.588","0.001","90","","6118.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H67 Cu2 N11 O21 -","- C57 H67 Cu2 N11 O21 -","- C228 H268 Cu8 N44 O84 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","0.71073","MoKα","","0.0563","0.0379","","","0.092","0.1023","","","","","","1.03","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243695","19.6662","0.0002","20.9151","0.0001","18.3648","0.0002","90","","117.44","0.002","90","","6703.97","0.16","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H40 Cu2 N8 O16 Pd2 -","- C50 H40 Cu2 N8 O16 Pd2 -","- C200 H160 Cu8 N32 O64 Pd8 -","4","1","","Malaza, Siphelele S. P.; Mehlana, Gift; Cheung, Ocean; Hunter, Roger; Makhubela, Banothile C. E.","Crystalline Cu(ii) metal–organic frameworks based on a carboxamide pincer ligand and an NCONCON–Pd(ii) pincer complex","CrystEngComm","2021","23","42","7418","7424","10.1039/D1CE00999K","","","1.54184","CuKα","","0.0478","0.0468","","","0.1209","0.1216","","","","","","1.029","","","","has coordinates","270423","2021-11-06","19:50:42",""
"7243696","15.9927","0.0004","15.9927","0.0004","12.1188","0.0004","90","","90","","90","","3099.58","0.15","101","","101","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H8 O2 Te0.5 -","- C8 H8 O2 Te0.5 -","- C128 H128 O32 Te8 -","16","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","","0.71073","MoKα","","0.0502","0.0399","","","0.0958","0.0997","","","","","","0.992","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243697","16.7448","0.0002","16.7448","0.0002","11.7851","0.0003","90","","90","","90","","3304.4","0.1","114","","114","","","","","","","","","5","I 41","I 4bw","80","","","","- C8 H7 F O2 Te0.5 -","- C8 H7 F O2 Te0.5 -","- C128 H112 F16 O32 Te8 -","16","2","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0275","0.0193","","","0.0396","0.0419","","","","","","1.033","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243698","9.5423","0.0003","11.037","0.0003","11.4973","0.0003","115.288","0.003","104.367","0.003","91.682","0.002","1047.86","0.06","108","","108","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 Te -","- C22 H28 O4 Te -","- C44 H56 O8 Te2 -","2","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0279","0.0231","","","0.0422","0.0485","","","","","","1.091","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243699","9.6945","0.0006","11.7224","0.0007","11.8645","0.0007","116.648","0.006","106.361","0.005","90.992","0.005","1139.96","0.14","108","","108","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F6 O4 Te -","- C22 H22 F6 O4 Te -","- C44 H44 F12 O8 Te2 -","2","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0502","0.0386","","","0.086","0.0909","","","","","","1.023","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243700","19.5971","0.0008","10.3078","0.0002","19.7804","0.0008","90","","117.086","0.005","90","","3557.5","0.3","108","","108","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C64 H40 F24 O16 Te4 -","- C64 H40 F24 O16 Te4 -","- C128 H80 F48 O32 Te8 -","2","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0964","0.1201","","","","","","1.068","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7243701","9.4353","0.0003","11.8064","0.0004","16.9075","0.0005","90","","101.416","0.003","90","","1846.18","0.1","112.3","","112.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 Te -","- C18 H20 O6 Te -","- C72 H80 O24 Te4 -","4","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0416","0.0286","","","0.0534","0.0668","","","","","","1.152","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7243702","28.4494","0.0004","11.2159","0.0002","20.254","0.0003","90","","103.136","0.001","90","","6293.65","0.17","103","","103","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H32 O4 Te -","- C40 H32 O4 Te -","- C320 H256 O32 Te8 -","8","2","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0341","0.0264","","","0.0538","0.056","","","","","","1.029","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7243703","14.3455","0.0005","27.8054","0.0011","27.708","0.0011","90","","90.205","0.002","90","","11052.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N3 O8 S4 Zn2 -","- C23 H16 N3 O8 S4 Zn2 -","- C184 H128 N24 O64 S32 Zn16 -","8","1","","Liang, Yu-Jie; Yao, Jun; Deng, Min; Liu, Yan-E.; Xu, Quan-Qing; Li, Qiu-Xia; Jing, Bi; Zhu, Ai-Xin; Huang, Bo","A porous anionic zinc(ii) metal–organic framework for gas adsorption, selective uptake of dyes and sensing of Fe3+ by Tb3+ ion encapsulation","CrystEngComm","2021","23","41","7348","7357","10.1039/D1CE01074C","","","1.54178","CuKα","","0.1197","0.1137","","","0.2747","0.2794","","","","","","1.059","","","","has coordinates","270410","2021-11-06","19:46:40",""
"7243704","7.2246","0.0008","11.8631","0.0011","20.815","0.002","90","","90","","90","","1784","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","","Duan, Xiu; Sun, Qi; Yuan, Xin; Qin, Long-Zhou; Zhang, Xin-Peng; Liu, Jie; Wu, Meng-Yu; Zhu, Shan-Shan; Ma, Can-Liang; Qiu, Jiang-Kai; Guo, Kai","Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow","Green Chemistry","2021","23","22","8916","8921","10.1039/D1GC03060D","","","0.71073","MoKα","","0.0825","0.0549","","","0.1279","0.139","","","","","","1.031","","","","has coordinates","271850","2022-01-06","21:30:41",""
"7243705","16.1541","0.0002","18.0486","0.0002","23.7037","0.0003","90","","91.155","0.001","90","","6909.62","0.14","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H108 Ce N9 O12 S2 -","- C50 H107 Ce N9 O12 S2 -","- C200 H428 Ce4 N36 O48 S8 -","4","1","","Ying, Tingting; Tan, Yuhui; Tang, Yunzhi; Long, Xiao; Song, Ning; Li, Yukong; Sun, Zhen","Multifunctional rare earth molecular ferroelectrics with a piezoelectric response: ((nBu)4N)3[Ce(NO3)4(SCN)2]((CH3CH2CH2CH2)4N = tetrabutylammonium)","CrystEngComm","2021","23","46","8104","8109","10.1039/D1CE01153G","","","0.71073","MoKα","","0.039","0.0363","","","0.0981","0.0994","","","","","","1.052","","","","has coordinates,has disorder","271172","2021-12-07","03:07:31",""
"7243706","8.9895","0.0003","11.5404","0.0003","33.0283","0.0007","95.255","0.002","96.857","0.002","102.441","0.002","3297.64","0.16","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C116 H96 Cd5 N6 O30 -","- C112 H80 Cd5 N4 O30 -","- C112 H80 Cd5 N4 O30 -","1","0.5","","Qiao, Yang; Li, Zeqi; Yu, Mei-Hui; Chang, Ze; Bu, Xian-He","A metal–organic framework featuring highly sensitive fluorescence sensing for Al3+ ions","CrystEngComm","2021","23","46","8087","8092","10.1039/D1CE01115D","","","1.54184","CuKα","","0.0721","0.0668","","","0.1712","0.1748","","","","","","1.049","","","","has coordinates,has disorder","271175","2021-12-07","03:08:10",""
"7243707","12.004","0.002","13.159","0.002","14.922","0.002","86.296","0.004","87.495","0.006","71.75","0.004","2233.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","heterobimetallc ruthenium gallate complex","","- C51 H51 Cl2 Ga P2 Ru -","- C51 H51 Cl2 Ga P2 Ru -","- C102 H102 Cl4 Ga2 P4 Ru2 -","2","1","","García Ponce, Jorge; Díaz-Ramírez, Mariana L.; Gorla, Saidulu; Navarathna, Chanaka; Sanchez-Lecuona, Gabriela; Donnadieu, Bruno; Ibarra, Ilich A.; Montiel-Palma, Virginia","SO2 capture enhancement in NU-1000 by the incorporation of a ruthenium gallate organometallic complex","CrystEngComm","2021","23","42","7479","7484","10.1039/D1CE01076J","","","0.71073","MoKα","","0.0308","0.0254","","","0.0553","0.0579","","","","","","1.063","","","","has coordinates","270426","2021-11-06","19:51:09",""
"7243708","11.035","0.002","11.907","0.002","13.273","0.003","81.38","0.002","70.064","0.002","71.719","0.002","1554.9","0.5","101","2","101","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMA solvate","","","- C39 H33 N3 O7 -","- C39 H33 N3 O7 -","- C78 H66 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0725","0.0496","","","0.1189","0.1322","","","","","","1.033","","","","has coordinates","270422","2021-11-06","19:50:32",""
"7243709","10.653","0.003","11.153","0.003","13.566","0.004","85.062","0.004","74.512","0.003","72.396","0.003","1480.5","0.7","108","2","108","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate THF solvate","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C78 H64 N4 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0966","0.0681","","","0.1946","0.2175","","","","","","1.071","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243710","10.6989","0.0018","11.63","0.002","13.421","0.002","82.162","0.005","72.106","0.005","72.058","0.005","1510.3","0.4","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMF solvate","","","- C38 H31 N3 O7 -","- C38 H31 N3 O7 -","- C76 H62 N6 O14 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0661","0.0503","","","0.1335","0.148","","","","","","1.02","","","","has coordinates","270422","2021-11-06","19:50:33",""
"7243711","10.554","0.0002","11.3682","0.0002","13.7388","0.0002","84.165","0.001","74.55","0.001","72.852","0.001","1517.71","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,10-phenanthrolinium pamoate DMSO solvate","","","- C37 H30 N2 O7 S -","- C37 H30 N2 O7 S -","- C74 H60 N4 O14 S2 -","2","1","","Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.","Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry","CrystEngComm","2021","23","42","7380","7384","10.1039/D1CE01286J","","","0.71073","MoKα","","0.0692","0.0459","","","0.1125","0.1295","","","","","","1.013","","","","has coordinates,has disorder","270422","2021-11-06","19:50:33",""
"7243712","18.7914","0.0004","9.2921","0.0004","19.0621","0.0004","90","","99.32","","90","","3284.52","0.17","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Clopamide anhydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide","","- C14 H20 Cl N3 O3 S -","- C14 H20 Cl N3 O3 S -","- C112 H160 Cl8 N24 O24 S8 -","8","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54178","CuKα","","0.1199","0.0998","","","0.2258","0.2344","","","","","","1.229","","","","has coordinates","270419","2021-11-06","19:49:58",""
"7243713","7.8247","0.0014","13.829","0.002","15.156","0.003","78.981","0.004","81.309","0.004","85.041","0.004","1588.5","0.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C56 H76 Cl4 Cu2 N12 O12 S4 -","2","1","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.2417","0.1496","","","0.3058","0.3567","","","","","","1.11","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243714","13.46","0.001","15.2424","0.0011","18.1855","0.0016","114.627","0.006","93.362","0.008","90.021","0.006","3384.5","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C112 H152 Cl8 Cu4 N24 O24 S8 -","4","2","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1375","0.0777","","","0.12","0.1368","","","","","","1.054","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243715","23.078","0.003","23.078","0.003","18.3291","0.0012","90","","90","","120","","8454.1","1.6","153","2","153","2","","","","","","","","7","R -3 :H","-R 3","148","clopamide copper(II)","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II)","","- C28 H38 Cl2 Cu N6 O6 S2 -","- C28 H38 Cl2 Cu N6 O6 S2 -","- C252 H342 Cl18 Cu9 N54 O54 S18 -","9","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.2142","0.1033","","","0.1672","0.2052","","","","","","1.094","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243716","26.699","0.002","9.8941","0.0008","15.6876","0.0014","90","","104.75","0.007","90","","4007.5","0.6","128","2","128","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","clopamide copper(II) dichloromethane","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dichloromethane solvate","","- C30 H42 Cl6 Cu N6 O6 S2 -","- C30 H42 Cl6 Cu N6 O6 S2 -","- C120 H168 Cl24 Cu4 N24 O24 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","1.54187","CuKα","","0.1623","0.1231","","","0.2351","0.2539","","","","","","1.151","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243717","8.497","0.005","8.404","0.004","16.31","0.008","83.113","0.012","79.445","0.01","67.366","0.01","1055.2","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1149","0.0856","","","0.2121","0.2365","","","","","","1.059","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243718","8.3107","0.0014","8.7469","0.0014","16.387","0.003","79.713","0.005","87.099","0.004","65.629","0.004","1067.3","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diisoprophanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diisoprophanol solvate dihydrate","","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","- C34 H58 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0816","0.069","","","0.1506","0.1574","","","","","","1.087","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243719","7.7518","0.0003","8.0901","0.0004","16.3683","0.0007","83.113","0.001","78.821","0.001","71.659","0.001","953.96","0.07","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) dimethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) dimethanol solvate dihydrate","","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","- C30 H50 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0684","0.0472","","","0.102","0.1282","","","","","","1.101","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243720","8.2195","0.0007","8.2439","0.0007","16.4822","0.0014","85.598","0.002","78.212","0.002","68.273","0.002","1015.62","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","clopamide copper(II) diethanol dihydrate","trans-bis(4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide)-copper(II) diethanol solvate dihydrate","","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","- C32 H54 Cl2 Cu N6 O10 S2 -","1","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.1175","0.0969","","","0.2379","0.2553","","","","","","1.095","","","","has coordinates","270419","2021-11-06","19:50:01",""
"7243721","14.5166","0.0008","9.3747","0.0007","24.7064","0.0017","90","","100.965","0.002","90","","3300.9","0.4","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Clopamide hemihydrate","4-chloro-N-(2,6-dimethylpiperidin-1-yl)-3-sulfamoylbenzamide hemihydrate","","- C28 H40 Cl2 N6 O7 S2 -","- C28 H40 Cl2 N6 O7 S2 -","- C112 H160 Cl8 N24 O28 S8 -","4","0.5","","Gál, G. Tamás; May, Nóra V.; Trif, László; Mihály, Judith; Bombicz, Petra","Solvatomorph and polymorph screening of clopamide drug and its copper(ii) complex crystals","CrystEngComm","2021","23","42","7425","7441","10.1039/D1CE00995H","","","0.71073","MoKα","","0.0508","0.0438","","","0.1063","0.1109","","","","","","1.049","","","","has coordinates,has disorder","270419","2021-11-06","19:50:01",""
"7243722","17.5326","0.0011","18.5686","0.0011","19.6507","0.0011","65.24","0.002","66.895","0.002","69.537","0.002","5210.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(TeO6)Ag36(CCtBu)18(tfa)8(F5PhCO2)4","","","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","- C152 H162 Ag36 F44 O30 Te -","1","0.5","","Hou, Lin-Lin; Li, Hong-Jing; Yu, Dong-Nan; Cheng, Xun; Yao, Zi-Xuan; Liu, Kuan-Guan; Yan, Xiao-Wei","Mass spectrometry guided surface modification of a tellurate ion templated 36-nucleus silver alkynyl nanocluster","CrystEngComm","2021","23","41","7202","7205","10.1039/D1CE01061A","","","0.71073","MoKα","","0.0578","0.0483","","","0.1227","0.1281","","","","","","1.042","","","","has coordinates,has disorder","270415","2021-11-06","19:48:14",""
"7243723","3.8349","0.0004","8.8365","0.0007","13.2606","0.0009","88.717","0.005","89.773","0.006","78.865","0.006","440.79","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","- C24 H8 Cl4 O2 -","1","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54184","CuKα","","0.035","0.0331","","","0.0975","0.1011","","","","","","1.021","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243724","3.8029","0.0003","13.8237","0.001","14.1694","0.001","90","","94.395","0.005","90","","742.7","0.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2H,2'H-[1,1'-biacenaphthylenylidene]-2,2'-dione","","- C24 H12 O2 -","- C24 H12 O2 -","- C48 H24 O4 -","2","0.5","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.075","0.0519","","","0.119","0.1407","","","","","","1.045","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243725","31.7745","0.0016","3.8742","0.0002","15.4074","0.001","90","","90","","90","","1896.66","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H8 Br4 O2 -","- C24 H8 Br4 O2 -","- C96 H32 Br16 O8 -","4","1","","Liu, Ying-Hsuan; Dadvand, Afshin; Titi, Hatem M.; Hamzehpoor, Ehsan; Perepichka, Dmitrii F.","Halogen bonding vs. π-stacking interactions in new bis(acenaphthylene)dione semiconductors","CrystEngComm","2021","23","47","8255","8259","10.1039/D1CE01047F","","","1.54178","CuKα","","0.0805","0.0582","","","0.1448","0.1648","","","","","","1.07","","","","has coordinates","271832","2022-01-06","21:13:28",""
"7243726","15.8195","0.0017","4.6302","0.0005","26.812","0.003","90","","100.182","0.002","90","","1933","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","supramolecular host-guest complex with assembled bromotriphenylamine bis-urea macrocycle and 2,1,3-benzothiadiazole","","","- C45 H38 Br2 N7 O2 S0.5 -","- C45 H38 Br2 N7 O2 S0.5 -","- C90 H76 Br4 N14 O4 S -","2","0.5","","Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S.","Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03000K","","x-ray","0.71073","MoKα","","0.0628","0.0414","","","0.0818","0.0899","","","","","","1.071","","","","has coordinates,has disorder","269895","2021-10-12","00:57:55",""
"7243727","15.782","0.005","4.6143","0.0015","26.78","0.009","90","","100.354","0.005","90","","1918.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","supramolecular host-guest complex with assembled bromotriphenylamine bis-urea macrocycle and 2,5-dichlorobenzoquinone","","","- C43.88 H36.62 Br2 Cl0.62 N6 O2.62 -","- C43.872 H36.624 Br2 Cl0.624 N6 O2.624 -","- C87.744 H73.248 Br4 Cl1.248 N12 O5.248 -","2","0.5","","Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S.","Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03000K","","x-ray","0.71073","MoKα","","0.0959","0.0514","","","0.0999","0.1137","","","","","","1.052","","","","has coordinates","269895","2021-10-12","00:57:56",""
"7243728","15.871","0.003","4.6048","0.001","26.839","0.006","90","","100.177","0.004","90","","1930.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","supramolecular host-guest complex with assembled bromotriphenylamine bis-urea macrocycle and iodine","","","- C42 H36 Br2 I0.69 N6 O2 -","- C42 H36 Br2 I0.6848 N6 O2 -","- C84 H72 Br4 I1.3696 N12 O4 -","2","0.5","","Islam, Md Faizul; Sindt, Ammon J.; Hossain, Muhammad Saddam; Ayare, Pooja J.; Smith, Mark D.; Vannucci, Aaron K.; Garashchuk, Sophya; Shimizu, Linda S.","Assembled triphenylamine bis-urea macrocycles: Exploring photodriven electron transfer from host to guests.","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03000K","","x-ray","0.71073","MoKα","","0.0727","0.051","","","0.1045","0.1139","","","","","","1.123","","","","has coordinates","269895","2021-10-12","00:57:56",""
"7243729","28.727","0.002","28.727","0.002","14.5895","0.0019","90","","90","","90","","12040","2","293","","293","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C23 H14 Cu2 O12 -","- C23 H14 Cu2 O12 -","- C184 H112 Cu16 O96 -","8","0.25","","Yan, Yang-Tian; Wang, Chen-Yang; Zheng, Li-Na; Wu, Yun-long; Liu, Jiao; Wu, Wei-Ping; Zhang, Wen-Yan; Wang, Yao-Yu","A new multi-functional Cu(ii)-organic framework as a platform for selective carbon dioxide chemical fixation and separation of organic dyes","CrystEngComm","2021","23","47","8315","8322","10.1039/D1CE01274F","","","0.71073","MoKα","","0.1108","0.0737","","","0.228","0.2673","","","","","","1.099","","","","has coordinates,has disorder","271829","2022-01-06","21:12:55",""
"7243730","9.965","0.005","10.598","0.005","12.54","0.006","94.375","0.008","108.088","0.007","94.539","0.008","1247.8","1","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","- C50 H46 Cd3 N8 O17 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0901","0.0617","","","0.1479","0.1652","","","","","","0.969","","","","has coordinates,has disorder","271170","2021-12-07","03:06:22",""
"7243731","10.256","0.002","12.989","0.003","14.013","0.003","63.783","0.004","81.4","0.003","82.923","0.004","1652.4","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 Cd N5 O8 -","- C33 H23 Cd N5 O8 -","- C66 H46 Cd2 N10 O16 -","2","1","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.0854","0.0507","","","0.1091","0.1444","","","","","","0.986","","","","has coordinates","271170","2021-12-07","03:06:25",""
"7243732","10.0981","0.0007","11.7986","0.0007","12.4956","0.0006","86.098","0.004","76.446","0.005","72.064","0.005","1376.95","0.15","250.01","0.1","250.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","- C62 H42 Cd3 N12 O14 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","x-ray","1.54184","CuKα","","0.0537","0.0448","","","0.1211","0.1289","","","","","","1.042","","","","has coordinates","271170","2021-12-07","03:06:35",""
"7243733","10.081","0.004","10.549","0.004","12.362","0.006","91.1","0.006","107.393","0.008","99.635","0.006","1233.5","0.9","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","- C54 H38 Cd3 N8 O16 -","1","0.5","","Zhou, Shanhe; Lu, Lu; Liu, Dong; Wang, Jun; Sakiyama, Hiroshi; Muddassir, Mohd.; Nezamzadeh-Ejhieh, Alireza; Liu, Jianqiang","Series of highly stable Cd(ii)-based MOFs as sensitive and selective sensors for detection of nitrofuran antibiotic","CrystEngComm","2021","23","46","8043","8052","10.1039/D1CE01264A","","","0.71073","MoKα","","0.1163","0.0841","","","0.1905","0.2097","","","","","","1.101","","","","has coordinates","271170","2021-12-07","03:06:37",""
"7243738","12.35","0.03","13.16","0.03","8.567","0.018","90","","93","0.03","90","","1390","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F N2 O3 -","- C15 H13 F N2 O3 -","- C60 H52 F4 N8 O12 -","4","1","","Luo, Mu-Jia; Ouyang, Xuan-Hui; Zhu, Yan-Ping; Li, Yang; Li, Jin-Heng","Metal-free electrochemical [3 + 2] heteroannulation of anilines with pyridines enabled by dual C–H radical aminations","Green Chemistry","2021","23","22","9024","9029","10.1039/D1GC02922C","","","0.71073","MoKα","","0.2881","0.1215","","","0.1976","0.2314","","","","","","1.16","","","","has coordinates","271849","2022-01-06","21:30:36",""
"7243739","35.1668","0.0009","35.1668","0.0009","20.227","0.0006","90","","90","","120","","21663.5","1","190","2","190","2","","","","","","","","8","R -3 :H","-R 3","148","","BWCu","","- C18 H48 B Cu3 K3 N24 O66 W12 -","- C18 H18 B Cu3 K3 N24 O66 W12 -","- C162 H162 B9 Cu27 K27 N216 O594 W108 -","9","0.5","","Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones","Green Chemistry","2021","23","21","8591","8603","10.1039/D1GC03061B","","","0.71073","MoKα","","0.0808","0.0775","","","0.1653","0.1667","","","","","","1.35","","","","has coordinates,has disorder","270462","2021-11-06","20:14:41",""
"7243740","15.57","0.003","15.57","0.003","10.337","0.003","90","","90","","120","","2170.2","0.9","296","2","296","2","","","","","","","","8","P -3","-P 3","147","","SiWCu","","- C18 H67 Cu3 K3 N24 O76 Si W12 -","- C18 H18 Cu3 K3 N24 O76 Si W12 -","- C18 H18 Cu3 K3 N24 O76 Si W12 -","1","0.166667","","Chang, Shenzhen; Chen, Yanhong; An, Haiyan; Zhu, Qingshan; Luo, Huiyun; Huang, Yaohui","Polyoxometalate-based supramolecular porous frameworks with dual-active centers towards highly efficient synthesis of functionalized p-benzoquinones","Green Chemistry","2021","23","21","8591","8603","10.1039/D1GC03061B","","","0.71073","MoKα","","0.0475","0.0445","","","0.1258","0.1284","","","","","","1.075","","","","has coordinates,has disorder","270462","2021-11-06","20:14:41",""
"7243741","9.702","0.005","10.763","0.005","11.435","0.005","75.894","0.006","84.943","0.007","69.928","0.008","1087.7","0.9","296","2","296","2","","","","","","","","5","P 1","P 1","1","","JLNU-91","","- C42 H43 Ag3 N6 O8 -","- C40 H31 Ag3 N6 O4 -","- C40 H31 Ag3 N6 O4 -","1","1","","Liu, Bo; Lv, Mengying; Jiang, Wei; Gao, Baihui; Li, Yuxin; Zhou, Shi; Wang, Dandan; Liu, Chunbo; Che, Guangbo","Self-photoreduced Ag0-doped Ag(i)–organic frameworks with efficient visible-light-driven photocatalytic performance","CrystEngComm","2021","23","42","7496","7501","10.1039/D1CE01133B","","","0.71073","MoKα","","0.0457","0.0421","","","0.1194","0.1225","","","","","","1.067","","","","has coordinates","270421","2021-11-06","19:50:19",""
"7243742","19.554","0.004","22.055","0.004","15.394","0.003","90","","117.07","0.03","90","","5912","3","200","","200","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54 H62 Cl6 F6 Ir N6 O4 P -","- C54 H62 Cl6 F6 Ir N6 O4 P -","- C216 H248 Cl24 F24 Ir4 N24 O16 P4 -","4","0.5","","Martínez-Vollbert, Emiliano; Philouze, Christian; Gautier-Luneau, Isabelle; Moreau, Yohann; Lanoë, Pierre-Henri; Loiseau, Frederique","Study of a phosphorescent cationic iridium(III) complex displaying blue shift in crystals","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03341G","","x-ray","0.71073","MoKα","","0.0362","0.0265","","","0.0645","0.0742","","","","","","1.167","","","","has coordinates,has disorder","269966","2021-10-15","01:06:23",""
"7243743","7.1067","0.0003","12.2043","0.0005","9.3734","0.0004","90","","104.11","0.002","90","","788.45","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H14 Fe O7 -","- C15 H14 Fe O7 -","- C30 H28 Fe2 O14 -","2","1","","Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther","ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00163A","","","1.54178","CuKα","","0.0471","0.0431","","","0.1008","0.1039","","","","","","1.071","","","","has coordinates","269974","2021-10-15","23:57:37",""
"7243744","11.3484","0.0002","7.4781","0.0001","36.737","0.0006","90","","90","","90","","3117.67","0.09","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C15 H14 Fe O7 -","- C15 H14 Fe O7 -","- C120 H112 Fe8 O56 -","8","1","","Krause, Bernhard Markus; Bauer, Britta; Neudoerfl, Joerg; Wieder, Thomas; Schmalz, Hans Günther","ItaCORMs: Conjugation with a CO-releasing Unit greatly Enhances the Anti-inflammatory Activity of Itaconates","RSC Medicinal Chemistry","2021","","","","","10.1039/D1MD00163A","","","1.54178","CuKα","","0.0381","0.036","","","0.0935","0.0945","","","","","","1.093","","","","has coordinates","269974","2021-10-15","23:57:38",""
"7243745","9.5767","0.0013","11.1881","0.0015","12.2524","0.0017","83.416","0.003","68.138","0.002","73.915","0.002","1170.6","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","Compound 3","","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","- C26 H28 Co2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0461","0.0363","","","0.0978","0.1035","","","","","","1.086","","","","has coordinates,has disorder","271153","2021-12-07","02:50:59",""
"7243746","9.589","0.004","11.22","0.004","12.27","0.005","83.409","0.008","68.107","0.007","73.943","0.007","1177","0.8","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Fe Mo4 N4 O17 -","- C13 H13 Fe Mo4 N4 O17 -","- C26 H26 Fe2 Mo8 N8 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.1061","0.0734","","","0.189","0.2142","","","","","","1.007","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243747","9.593","0.002","11.205","0.002","12.283","0.003","83.427","0.004","68.122","0.004","73.812","0.004","1176.5","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","- C26 H30 Cu2 Mo8 N8 O35 -","1","0.5","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0621","0.0429","","","0.1008","0.1107","","","","","","0.997","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243748","9.6183","0.0003","11.1742","0.0004","12.2597","0.0004","83.415","0.001","68.179","0.001","73.86","0.001","1174.92","0.07","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Mo4 N4 O17 Zn -","- C13 H12 Mo4 N4 O17 Zn -","- C26 H24 Mo8 N8 O34 Zn2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0334","0.0257","","","0.056","0.0587","","","","","","1.049","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243749","9.5458","0.0005","11.1569","0.0006","12.2071","0.0007","83.619","0.001","68.162","0.001","74.084","0.001","1160.46","0.11","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Mo4 N4 Ni O17 -","- C13 H13 Mo4 N4 Ni O17 -","- C26 H26 Mo8 N8 Ni2 O34 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.027","0.0219","","","0.052","0.0541","","","","","","1.032","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243750","13.2622","0.0008","13.533","0.0008","16.2984","0.001","87.28","0.001","74.467","0.001","88.037","0.001","2814.5","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H24 Cd Mo12 N8 O46 P -","- C26 H24 Cd Mo12 N8 O46 P -","- C52 H48 Cd2 Mo24 N16 O92 P2 -","2","1","","Ying, Jun; Jin, Liang; Yu, Hai-Yan; Tian, Ai-Xiang; Wang, Xiu-Li","A series of polyoxometalate-based hybrid complexes constructed by a tripodal ligand containing mixed N/O donors","CrystEngComm","2021","23","44","7846","7854","10.1039/D1CE01195B","","","0.71073","MoKα","","0.0735","0.043","","","0.0871","0.0999","","","","","","1.018","","","","has coordinates","271153","2021-12-07","02:50:59",""
"7243751","9.3815","0.0008","12.1909","0.001","14.0591","0.0011","92.007","0.006","101.5","0.007","101.086","0.007","1541.7","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H14 La N2.3 O10.9 -","- C26 H14 La N2.3 O10.9 -","- C52 H28 La2 N4.6 O21.8 -","2","1","","Liu, Jian-Jun; Fu, Jia-Jia; Li, Gui-Jun; Liu, Teng; Xia, Shu-Biao; Cheng, Fei-Xiang","A water-stable photochromic MOF with controllable iodine sorption and efficient removal of dichromate","CrystEngComm","2021","23","43","7628","7634","10.1039/D1CE00935D","","","0.71073","MoKα","","0.0599","0.0507","","","0.1274","0.1306","","","","","","1.112","","","","has coordinates","271161","2021-12-07","02:55:00",""
"7243752","5.7835","0.0005","16.051","0.0015","21.5072","0.0017","90","","94.365","0.002","90","","1990.7","0.3","150.01","","150.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Cu N6 O8 -","- C40 H48 Cu N6 O8 -","- C80 H96 Cu2 N12 O16 -","2","0.5","","Dezotti, Yuri; Barrionuevo, Manoel Victor Frutuoso; Silva, Ingrid Fernandes; Ribeiro, Marcos Antônio; Añez, Rafael; Stumpf, Humberto Osório; San-Miguel, Miguel Angel; Barros, Wdeson Pereira","Experimental and theoretical studies of a pyridylvinyl(benzoate) based coordination polymer structure","CrystEngComm","2021","23","46","8139","8149","10.1039/D1CE01290H","","","0.71073","MoKα","","0.0622","0.0439","","","0.1163","0.1254","","","","","","1.054","","","","has coordinates","271179","2021-12-07","03:09:14",""
"7243753","15.728","0.0004","13.5055","0.0002","24.0316","0.0006","90","","108.218","0.003","90","","4848.8","0.2","104.9","","104.9","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 Cu F3 N4 O3 P2 S -","- C56 H44 Cu F3 N4 O3 P2 S -","- C224 H176 Cu4 F12 N16 O12 P8 S4 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0574","0.0413","","","0.0887","0.0971","","","","","","1.021","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243754","14.5279","0.0003","19.7802","0.0004","16.4881","0.0003","90","","93.0114","0.0016","90","","4731.56","0.16","105.2","","105.2","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55.27 H45.07 B Cu F4 N4 O0.27 P2 -","- C55.268 H45.072 B Cu F4 N4 O0.268 P2 -","- C221.072 H180.288 B4 Cu4 F16 N16 O1.072 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","","0.71073","MoKα","","0.0459","0.0339","","","0.0717","0.0776","","","","","","1.046","","","","has coordinates,has disorder","271833","2022-01-06","21:13:46",""
"7243755","16.0954","0.0006","13.4388","0.0004","23.1216","0.0009","90","","107.221","0.004","90","","4777.1","0.3","173","0.1","173","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H44 Cl Cu N4 O4 P2 -","- C55 H43 Cl Cu N4 O4 P2 -","- C220 H172 Cl4 Cu4 N16 O16 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0781","0.0727","","","0.2205","0.2279","","","","","","1.097","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243756","11.9044","0.0001","19.1935","0.0002","21.5471","0.0003","90","","105.907","0.001","90","","4734.71","0.09","99.99","0.1","99.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 Br Cu N4 O2 P2 -","- C57 H52 Br Cu N4 O2 P2 -","- C228 H208 Br4 Cu4 N16 O8 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1249","0.1259","","","","","","1.028","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243757","14.3536","0.0001","20.0276","0.0002","16.8454","0.0002","90","","94.109","0.001","90","","4830.07","0.08","132.99","0.1","132.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 Cu I N4 O P2 -","- C56 H48 Cu I N4 O P2 -","- C224 H192 Cu4 I4 N16 O4 P8 -","4","1","","Li, Zi-Xi; Kuang, Xiao-Nan; Wang, Guo; Zhu, Ning; Sun, Zhen-Zhou; Han, Hong-Liang; Yang, Yu-Ping; Li, Zhong-Feng; Xin, Xiu-Lan; Jin, Qiong-Hua; Ren, Zhi-Gang","A series of luminescent Cu(i) complexes based on the diphosphine ligand and diimine ligand: weak intermolecular interactions, terahertz spectroscopy and photoproperties","CrystEngComm","2021","23","47","8323","8333","10.1039/D1CE01132D","","x-ray","1.54184","CuKα","","0.0369","0.0357","","","0.0914","0.0921","","","","","","1.052","","","","has coordinates","271833","2022-01-06","21:13:46",""
"7243758","8.9053","0.0018","12.585","0.003","17.847","0.004","90","","90.73","0.03","90","","2000","0.8","153","2","153.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N14 O16 -","- C8 H12 N14 O16 -","- C32 H48 N56 O64 -","4","1","","Zhang, Wenjin; Bao, Lingxiang; Fei, Teng; Lv, Penghao; Sun, Chenghui; Pang, Siping","Taming CL-20 through hydrogen bond interaction with nitromethane","CrystEngComm","2021","23","46","8099","8103","10.1039/D1CE01275D","","","0.71073","MoKα","","0.0564","0.0458","","","0.1482","0.1848","","","","","","1.187","","","","has coordinates,has disorder","271174","2021-12-07","03:07:57",""
"7243759","8.79899","0.00006","12.17385","0.00009","15.22942","0.00012","90","","90","","90","","1631.34","0.02","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","1.54187","CuKα","","0.0293","0.0292","","","0.0744","0.0745","","","","","","1.089","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243760","14.8313","0.0005","16.0368","0.0007","20.2334","0.0007","90","","91.974","0.003","90","","4809.6","0.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 N6 O6 S2 -","- C56 H46 N6 O6 S2 -","- C224 H184 N24 O24 S8 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1054","0.057","","","0.119","0.1376","","","","","","1.022","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243761","8.4505","0.0004","13.524","0.0006","13.0184","0.0006","90","","100.599","0.005","90","","1462.42","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O4 S -","- C14 H14 Cl N O4 S -","- C56 H56 Cl4 N4 O16 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.062","0.0418","","","0.09","0.0969","","","","","","1.036","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243762","8.4205","0.0005","9.8122","0.0005","11.2928","0.0006","93.998","0.004","101.829","0.005","108.5","0.005","856.87","0.09","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H13 Br Cl N2 O2 S -","- C17 H13 Br Cl N2 O2 S -","- C34 H26 Br2 Cl2 N4 O4 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0484","0.033","","","0.0673","0.0715","","","","","","1.067","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243763","31.8179","0.0011","8.1924","0.0003","17.861","0.0006","90","","103.002","0.003","90","","4536.4","0.3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 N3 O3 S -","- C24 H23 N3 O3 S -","- C192 H184 N24 O24 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0468","0.0421","","","0.1102","0.1135","","","","","","1.058","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243764","10.2247","0.0006","13.3486","0.0006","15.0139","0.0013","90","","98.168","0.007","90","","2028.4","0.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N3 O2 S -","- C23 H20 F N3 O2 S -","- C92 H80 F4 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.1268","0.0632","","","0.1393","0.162","","","","","","1.03","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243765","9.0097","0.0005","12.3524","0.0007","12.9152","0.0007","82.341","0.005","84.612","0.005","84.72","0.005","1413.62","0.14","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.153","0.0774","","","0.1845","0.2176","","","","","","1.016","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243766","12.6908","0.0004","11.0757","0.0003","15.7411","0.0005","90","","91.683","0.003","90","","2211.61","0.12","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N3 O2 S -","- C25 H24 N3 O2 S -","- C100 H96 N12 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0607","0.0518","","","0.1177","0.1219","","","","","","1.119","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243767","8.3499","0.0005","11.4704","0.0004","13.571","0.0006","101.723","0.004","95.458","0.004","110.537","0.004","1172","0.11","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C52 H54 N6 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0849","0.0536","","","0.125","0.137","","","","","","1.035","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243768","9.175","0.0005","5.9502","0.0003","22.5","0.0013","90","","95.764","0.005","90","","1222.13","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 F N O2 S -","- C13 H12 F N O2 S -","- C52 H48 F4 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0697","0.051","","","0.1306","0.144","","","","","","1.073","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243769","11.5492","0.0005","7.5883","0.0004","31.0045","0.0014","90","","90","","90","","2717.2","0.2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H12 F N O2 S -","- C16 H12 F N O2 S -","- C128 H96 F8 N8 O16 S8 -","8","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0557","0.0385","","","0.0853","0.0907","","","","","","1.029","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243770","11.7276","0.0004","14.3853","0.0004","16.9385","0.0005","99.089","0.002","98.944","0.002","110.799","0.003","2567.63","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H42 Br4 N8 O4 S2 -","- C54 H42 Br4 N8 O4 S2 -","- C108 H84 Br8 N16 O8 S4 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0716","0.041","","","0.071","0.0779","","","","","","1.022","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243771","9.958","0.0004","21.7896","0.001","6.0999","0.0003","90","","90","","90","","1323.56","0.1","93","","93","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C48 H36 Br8 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0302","0.0259","","","0.0525","0.0541","","","","","","1.086","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243772","5.0813","0.0004","20.4639","0.0013","12.2504","0.0009","90","","90.757","0.006","90","","1273.72","0.16","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F3 N O2 S -","- C13 H10 F3 N O2 S -","- C52 H40 F12 N4 O8 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0766","0.0676","","","0.1769","0.1812","","","","","","1.092","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243773","10.0096","0.0003","12.4631","0.0006","17.7972","0.0007","80.489","0.004","73.938","0.003","87.66","0.003","2104.19","0.15","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F N3 O2 S -","- C24 H22 F N3 O2 S -","- C96 H88 F4 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.115","0.0951","","","0.2732","0.2847","","","","","","1.052","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243774","8.56656","0.00014","11.3193","0.00019","12.12655","0.00019","85.376","0.0013","87.7729","0.0013","80.6487","0.0014","1156.08","0.03","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cl4 N2 O4 S -","- C20 H19 Cl4 N2 O4 S -","- C40 H38 Cl8 N4 O8 S2 -","2","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0423","0.037","","","0.0967","0.1","","","","","","1.046","","","","has coordinates","271160","2021-12-07","02:54:37",""
"7243775","8.24874","0.00018","9.01497","0.00018","29.484","0.0006","82.9508","0.0016","83.6918","0.0018","76.4332","0.0018","2107.72","0.08","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F3 N3 O2 S -","- C23 H18 F3 N3 O2 S -","- C92 H72 F12 N12 O8 S4 -","4","2","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0604","0.0484","","","0.1213","0.1257","","","","","","1.104","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243776","15.703","0.0005","30.2596","0.0008","17.0294","0.0006","90","","111.871","0.004","90","","7509.4","0.5","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H68 F3 N11 O6 S3 -","- C88 H68 F3 N11 O6 S3 -","- C352 H272 F12 N44 O24 S12 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","0.71073","MoKα","","0.0905","0.0538","","","0.1226","0.1367","","","","","","1.065","","","","has coordinates,has disorder","271160","2021-12-07","02:54:37",""
"7243777","8.123","0.008","20.61","0.02","18.053","0.017","90","","99.8","0.03","90","","2978","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Cl2 N8 O6 -","- C52 H94 Cl2 N8 O6 -","- C104 H188 Cl4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1124","0.0679","","","0.1923","0.2326","","","","","","1.024","","","","has coordinates","271156","2021-12-07","02:52:12",""
"7243778","21.998","0.002","8.4985","0.0005","19.2091","0.0015","90","","99.496","0.007","90","","3541.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Cl2 F12 N8 O2 -","- C60 H102 Cl2 F12 N8 O2 -","- C120 H204 Cl4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.2107","0.0809","","","0.1395","0.1949","","","","","","0.984","","","","has coordinates,has disorder","271156","2021-12-07","02:52:15",""
"7243779","12.8556","0.0012","13.8433","0.0013","8.8264","0.0011","90","","99.395","0.009","90","","1549.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 F12 N6 O2 -","- C28 H30 F12 N6 O2 -","- C56 H60 F24 N12 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1976","0.0804","","","0.1794","0.2657","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:25",""
"7243780","21.98","0.002","8.6346","0.001","19.393","0.0018","90","","99.074","0.003","90","","3634.5","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Br2 F12 N8 O2 -","- C60 H102 Br2 F12 N8 O2 -","- C120 H204 Br4 F24 N16 O4 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1752","0.0687","","","0.1545","0.2061","","","","","","0.997","","","","has coordinates,has disorder","271156","2021-12-07","02:52:29",""
"7243781","8.2545","0.0015","20.43","0.004","18.277","0.003","90","","100.194","0.006","90","","3033.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H94 Br2 N8 O6 -","- C52 H94 Br2 N8 O6 -","- C104 H188 Br4 N16 O12 -","2","0.5","","Basak, Megha; Das, Asesh; Das, Gopal","Exploring cyclohexane/piperazine-urea motifs for spherical halide (X = Cl−/Br−) recognition: effects on anion coordination, photoluminescence, and morphological tunability","CrystEngComm","2021","23","44","7771","7780","10.1039/D1CE01090E","","","0.71073","MoKα","","0.1009","0.0511","","","0.1407","0.1721","","","","","","0.981","","","","has coordinates","271156","2021-12-07","02:52:41",""
"7243782","9.52643","0.00009","14.88162","0.00013","12.71774","0.00011","90","","90.7242","0.0008","90","","1802.83","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N O3 P -","- C21 H18 N O3 P -","- C84 H72 N4 O12 P4 -","4","1","","Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong","Concise synthesis of N-phosphorylated amides through three-component reactions","Green Chemistry","2021","23","23","9417","9421","10.1039/D1GC03065E","","x-ray","1.54184","CuKα","","0.0387","0.0365","","","0.1057","0.1077","","","","","","1.025","","","","has coordinates","271853","2022-01-06","21:31:17",""
"7243783","15.6285","0.0003","9.3057","0.0002","14.6152","0.0002","90","","95.164","0.002","90","","2116.92","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N O2 P -","- C26 H22 N O2 P -","- C104 H88 N4 O8 P4 -","4","1","","Zhu, Yuan-Yuan; Zhang, Tao; Zhou, Linlin; Yang, Shang-Dong","Concise synthesis of N-phosphorylated amides through three-component reactions","Green Chemistry","2021","23","23","9417","9421","10.1039/D1GC03065E","","x-ray","1.54184","CuKα","","0.0486","0.0408","","","0.106","0.1137","","","","","","1.034","","","","has coordinates","271853","2022-01-06","21:31:17",""
"7243784","9.87","0.04","20.34","0.08","8.95","0.04","90","0.07","108.57","0.07","90","0.08","1703","12","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives","Green Chemistry","2021","23","23","9610","9616","10.1039/D1GC02849A","","","0.71073","MoKα","","0.1015","0.0701","","","0.187","0.2176","","","","","","1.012","","","","has coordinates","271852","2022-01-06","21:31:10",""
"7243785","7.9106","0.0003","10.4113","0.0004","18.0346","0.0009","90","","98.689","0.004","90","","1468.28","0.11","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Chen, Wei-Li; Li, Kun; Liao, Wei-Cong; Liang, Wang-Fu; Qiu, Pei-Wen; Liang, Cui; Su, Gui-Fa; Mo, Dong-Liang","An iron(iii)-catalyzed dehydrogenative cross-coupling reaction of indoles with benzylamines to prepare 3-aminoindole derivatives","Green Chemistry","2021","23","23","9610","9616","10.1039/D1GC02849A","","x-ray","0.71073","MoKα","","0.1247","0.0639","","","0.1251","0.1526","","","","","","1.034","","","","has coordinates","271852","2022-01-06","21:31:10",""
"7243786","5.6526","0.0002","10.0371","0.0003","36.8324","0.0015","90","","90","","90","","2089.71","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O S2 -","- C26 H24 O S2 -","- C104 H96 O4 S8 -","4","1","","Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin","Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions","RSC Advances","2021","11","54","34071","34078","10.1039/D1RA06881D","","x-ray","1.54184","CuKα","","0.0533","0.048","","","0.1297","0.1337","","","","","","1.084","","","","has coordinates","270146","2021-10-29","02:26:26",""
"7243787","16.763","0.002","5.691","0.001","7.7824","0.0011","90","","97.279","0.014","90","","736.44","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-diphenyldithieno[3,2-b:2',3'-d]furan","","","- C20 H12 O S2 -","- C20 H12 O S2 -","- C40 H24 O2 S4 -","2","0.5","","Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin","Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions","RSC Advances","2021","11","54","34071","34078","10.1039/D1RA06881D","","x-ray","0.71073","MoKα","","0.094","0.061","","","0.1248","0.1449","","","","","","1.046","","","","has coordinates,has disorder","270146","2021-10-29","02:26:32",""
"7243788","9.2214","0.0003","11.7385","0.0004","13.033","0.0004","72.325","0.003","75.768","0.003","86.988","0.003","1302.54","0.08","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C47 H60 Au2 B F7 N8 O5 S -","- C47 H60 Au2 B F7 N8 O5 S -","- C47 H60 Au2 B F7 N8 O5 S -","1","1","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes","RSC Advances","2021","11","54","34170","34173","10.1039/D1RA06581E","","","0.71073","MoKα","","0.0407","0.033","","","0.0623","0.0663","","","","","","1.023","","","","has coordinates,has disorder","270147","2021-10-29","02:27:10",""
"7243789","12.5502","0.0006","26.5936","0.0006","13.7021","0.0005","90","","114.813","0.005","90","","4151","0.3","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H48 Ag Au B2 F8 N8 -","- C40 H48 Ag Au B2 F8 N8 -","- C160 H192 Ag4 Au4 B8 F32 N32 -","4","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes","RSC Advances","2021","11","54","34170","34173","10.1039/D1RA06581E","","","0.71073","MoKα","","0.0515","0.0382","","","0.074","0.0807","","","","","","1.039","","","","has coordinates,has disorder","270147","2021-10-29","02:27:10",""
"7243790","20.9037","0.0012","19.7169","0.0012","15.8376","0.001","90","","91.467","0.003","90","","6525.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Gold 3-formyl-5,10,15-tris(p-fluorophenyl)corrole","","- C38 H20 Au F3 N4 O -","- C38 H20 Au F3 N4 O -","- C304 H160 Au8 F24 N32 O8 -","8","1","","Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik","Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials","RSC Advances","2021","11","54","34086","34094","10.1039/D1RA05525A","","","0.7288","synchrotron","","0.0453","0.0377","","","0.0958","0.1001","","","","","","1.069","","","","has coordinates","270148","2021-10-29","02:27:52",""
"7243791","9.5807","0.0004","12.6649","0.0006","29.1467","0.0013","95.279","0.002","91.627","0.002","90.341","0.002","3520.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Rhenium-oxo 3,17-diformyl-5,10,15-tris(p-methylphenyl)corrole","","- C45 H36 N4 O3 Re -","- C45 H36 N4 O3 Re -","- C180 H144 N16 O12 Re4 -","4","2","","Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik","Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials","RSC Advances","2021","11","54","34086","34094","10.1039/D1RA05525A","","","0.7288","synchrotron","","0.0361","0.0312","","","0.0648","0.0667","","","","","","1.092","","","","has coordinates,has disorder","270148","2021-10-29","02:27:52",""
"7243792","13.9398","0.0002","14.0767","0.0002","14.8978","0.0002","92.2809","0.0005","116.681","0.0004","113.637","0.0004","2305.01","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H105 Eu N5 O37 Si8 Tb3 -","- C70 H105 Eu N5 O37 Si8 Tb3 -","- C70 H105 Eu N5 O37 Si8 Tb3 -","1","0.5","","Nigoghossian, Karina; Kulakova, Alena N.; Félix, Gautier; Khrustalev, Victor N.; Shubina, Elena S.; Long, Jérôme; Guari, Yannick; Sene, Saad; Carlos, Luís D.; Bilyachenko, Alexey N.; Larionova, Joulia","Temperature sensing in Tb3+/Eu3±based tetranuclear silsesquioxane cages with tunable emission","RSC Advances","2021","11","55","34735","34741","10.1039/D1RA06755A","","","0.71073","MoKα","","0.0287","0.0204","","","0.0419","0.0443","","","","","","1.016","","","","has coordinates,has disorder","270149","2021-10-29","02:28:24",""
"7243793","13.2636","0.0007","13.3247","0.0007","16.0584","0.0008","67.984","0.001","85.33","0.001","80.109","0.001","2591.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H110 Eu2 N14 O36 Si8 Tb2 -","- C80 H110 Eu2 N14 O36 Si8 Tb2 -","- C80 H110 Eu2 N14 O36 Si8 Tb2 -","1","0.5","","Nigoghossian, Karina; Kulakova, Alena N.; Félix, Gautier; Khrustalev, Victor N.; Shubina, Elena S.; Long, Jérôme; Guari, Yannick; Sene, Saad; Carlos, Luís D.; Bilyachenko, Alexey N.; Larionova, Joulia","Temperature sensing in Tb3+/Eu3±based tetranuclear silsesquioxane cages with tunable emission","RSC Advances","2021","11","55","34735","34741","10.1039/D1RA06755A","","","0.71073","MoKα","","0.0304","0.0275","","","0.0655","0.0671","","","","","","1.059","","","","has coordinates,has disorder","270149","2021-10-29","02:28:24",""
"7243794","13.9073","0.001","14.243","0.001","14.994","0.0011","118.151","0.001","99.052","0.002","103.126","0.002","2426.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 N0 O21 S3 Tb2 -","- C42 H24 O21 S3 Tb2 -","- C84 H48 O42 S6 Tb4 -","2","1","","Liu, Yuqian; Zhao, Peiran; Duan, Chunying; He, Cheng","A novel 3D terbium metal–organic framework as a heterogeneous Lewis acid catalyst for the cyanosilylation of aldehyde","RSC Advances","2021","11","55","34779","34787","10.1039/D1RA06533E","","","0.71073","MoKα","","0.0462","0.0337","","","0.0882","0.0928","","","","","","1.079","","","","has coordinates,has disorder","270150","2021-10-29","02:28:52",""
"7243795","7.5493","0.0003","9.2659","0.0003","9.8603","0.0003","91.084","0.002","104.586","0.001","109.587","0.001","624.83","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C24 H36 N4 O10 -","2","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","1.54178","CuKα","","0.0534","0.0489","","","0.1446","0.1492","","","","","","1.112","","","","has coordinates,has disorder","270151","2021-10-29","02:29:39",""
"7243796","20.3659","0.0017","8.7855","0.0009","16.9217","0.0019","90","","90","","90","","3027.7","0.5","106","2","106","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H44 N4 O15 Zn -","- C24 H44 N4 O15 Zn -","- C96 H176 N16 O60 Zn4 -","4","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","0.71073","MoKα","","0.1013","0.0581","","","0.1257","0.1505","","","","","","1.045","","","","has coordinates","270151","2021-10-29","02:29:40",""
"7243797","5.877","0.002","9.125","0.004","18.214","0.008","86.63","0.017","80.725","0.015","74.305","0.014","927.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cl2 Cu N2 O13 -","- C12 H18 Cl2 Cu N2 O13 -","- C24 H36 Cl4 Cu2 N4 O26 -","2","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","0.71073","MoKα","","0.1388","0.0793","","","0.1933","0.2299","","","","","","1.031","","","","has coordinates","270151","2021-10-29","02:29:40",""
"7243798","12.8107","0.0004","14.1995","0.0004","25.5626","0.0006","90","","96.566","0.003","90","","4619.5","0.2","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl2 Co N10 O16 -","- C38 H42 Cl2 Co N10 O16 -","- C152 H168 Cl8 Co4 N40 O64 -","4","1","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0542","0.0453","","","0.1225","0.1294","","","","","","1.052","","","","has coordinates,has disorder","270153","2021-10-29","02:31:15",""
"7243799","14.3475","0.0003","25.751","0.0006","13.6655","0.0004","90","","114.2","0.003","90","","4605.2","0.2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl2 Fe N10 O16.79 -","- C38 H42 Cl2 Fe N10 O16.791 -","- C152 H168 Cl8 Fe4 N40 O67.164 -","4","1","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0881","0.0652","","","0.1625","0.178","","","","","","1.094","","","","has coordinates,has disorder","270153","2021-10-29","02:31:28",""
"7243800","30.3293","0.0006","30.3293","0.0006","13.6082","0.0004","90","","90","","120","","10840.7","0.4","297","2","297","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C19 H21 Cl2 Mn N5 O4 -","- C19 H21 Cl2 Mn N5 O4 -","- C342 H378 Cl36 Mn18 N90 O72 -","18","0.5","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0334","0.0313","","","0.083","0.0844","","","","","","1.077","","","","has coordinates,has disorder","270153","2021-10-29","02:31:29",""
"7243801","29.5243","0.0011","13.8841","0.0004","22.5685","0.0009","90","","105.786","0.004","90","","8902.3","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Cl2 N10 Ni O16 -","- C38 H42 Cl2 N10 Ni O16 -","- C304 H336 Cl16 N80 Ni8 O128 -","8","1","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.04","0.0369","","","0.0931","0.0953","","","","","","1.039","","","","has coordinates,has disorder","270153","2021-10-29","02:31:32",""
"7243802","9.945","0.006","18.098","0.008","18.778","0.01","91.599","0.015","94.106","0.017","104.334","0.016","3262","3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H32 N4 -","- C45 H32 N4 -","- C180 H128 N16 -","4","2","","Kim, Min-Ji; Ahn, Mina; Chae, Minjung; Kim, Sanghyun; Kim, Daehoon; Wee, Kyung-Ryang","meta-Terphenyl linked donor–π–acceptor dyads: intramolecular charge transfer controlled by electron acceptor group tuning","RSC Advances","2021","11","55","34945","34954","10.1039/D1RA06602A","","","0.71073","MoKα","","0.2074","0.0725","","","0.1612","0.2514","","","","","","1.062","","","","has coordinates","270154","2021-10-29","02:32:19",""
"7243803","11.0626","0.0005","13.5522","0.0006","11.9227","0.0005","90","","94.194","0.002","90","","1782.7","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 Bi2 N10 O14 -","- C32 H28 Bi2 N10 O14 -","- C64 H56 Bi4 N20 O28 -","2","0.5","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0506","0.0277","","","0.0417","0.0461","","","","","","1.021","","","","has coordinates","271171","2021-12-07","03:06:58",""
"7243804","36.9899","0.0017","9.7296","0.0004","18.0256","0.0008","90","","90.543","0.002","90","","6487.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Bi F6 N4 O7 S2 -","- C31 H19 Bi F6 N4 O7 S2 -","- C248 H152 Bi8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0772","0.0409","","","0.0737","0.0839","","","","","","1.024","","","","has coordinates,has disorder","271171","2021-12-07","03:07:08",""
"7243805","10.2659","0.0006","10.8192","0.0006","14.9442","0.0008","91.545","0.002","92.281","0.002","109.003","0.002","1566.73","0.15","101","2","101","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Br F6 N3 O4 S2 -","- C31 H19 Bi Br F6 N3 O4 S2 -","- C62 H38 Bi2 Br2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0157","0.0144","","","0.0334","0.0338","","","","","","1.059","","","","has coordinates,has disorder","271171","2021-12-07","03:07:11",""
"7243806","37.6364","0.0016","9.6744","0.0004","18.2345","0.0007","90","","95.909","0.001","90","","6604.1","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H19 Eu F6 N4 O7 S2 -","- C31 H19 Eu F6 N4 O7 S2 -","- C248 H152 Eu8 F48 N32 O56 S16 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0356","0.0275","","","0.0622","0.0652","","","","","","1.061","","","","has coordinates,has disorder","271171","2021-12-07","03:07:14",""
"7243807","10.3216","0.0005","10.7535","0.0005","14.8647","0.0007","91.665","0.002","91.689","0.002","109.018","0.002","1557.84","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C31 H19 Bi Cl F6 N3 O4 S2 -","- C62 H38 Bi2 Cl2 F12 N6 O8 S4 -","2","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0268","0.0207","","","0.0381","0.0393","","","","","","1.044","","","","has coordinates,has disorder","271171","2021-12-07","03:07:17",""
"7243808","30.2542","0.0014","8.7876","0.0004","18.6371","0.0008","90","","96.051","0.001","90","","4927.3","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Bi Br2 F3 N3 O2 S -","- C23 H15 Bi Br2 F3 N3 O2 S -","- C184 H120 Bi8 Br16 F24 N24 O16 S8 -","8","1","","Adcock, Alyssa K.; Marwitz, Alexander C.; Sanz, Lulio A.; Lee Ayscue, R.; Bertke, Jeffery A.; Knope, Karah E.","Synthesis, structural characterization, and luminescence properties of heteroleptic bismuth-organic compounds","CrystEngComm","2021","23","46","8183","8197","10.1039/D1CE01242H","","","0.71073","MoKα","","0.0229","0.0185","","","0.0412","0.0425","","","","","","1.128","","","","has coordinates","271171","2021-12-07","03:07:19",""
"7243809","7.422","0.0003","25.734","0.001","13.2847","0.0008","90","","100.008","0.005","90","","2498.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Eu2 N6 O10 -","- C24 H18 Eu2 N6 O10 -","- C96 H72 Eu8 N24 O40 -","4","1","","Hassan, Sadaf ul; Farid, Muhammad Asim; Wang, Yingxia","A series of lanthanide–quinoxaline-2,3(1H,4H)-dione complexes containing 1D chiral Ln2O3 (Ln = Eu, Tb, Sm, Dy) chains: luminescent properties and response to small molecules","RSC Advances","2021","11","53","33309","33318","10.1039/D1RA05719G","","","0.71073","MoKα","","0.088","0.0543","","","0.1054","0.1199","","","","","","1.09","","","","has coordinates","270176","2021-10-30","01:20:35",""
"7243810","8.6416","0.0007","11.0188","0.0009","18.0722","0.0014","93.734","0.006","90.935","0.006","95.221","0.006","1709.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F6 N2 O -","- C18 H12 F6 N2 O -","- C72 H48 F24 N8 O4 -","4","2","","Shchegolkov, Evgeny V.; Burgart, Yanina V.; Matsneva, Daria A.; Borisevich, Sophia S.; Kadyrova, Renata A.; Orshanskaya, Iana R.; Zarubaev, Vladimir V.; Saloutin, Victor I.","Polyfluoroalkylated antipyrines in Pd-catalyzed transformations","RSC Advances","2021","11","56","35174","35181","10.1039/D1RA06967E","","","0.71073","MoKα","","0.1583","0.0569","","","0.1228","0.1816","","","","","","0.973","","","","has coordinates,has disorder","270183","2021-11-01","02:06:59",""
"7243818","7.8876","0.0005","8.3604","0.0006","9.668","0.0007","65.082","0.002","76.419","0.002","73.429","0.002","549.34","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H12 O12 Sc -","- C3 H12 O12 Sc -","- C6 H24 O24 Sc2 -","2","1","","Liu, Rui; Jiang, Yansong; Gong, Yiran; Fu, Yu; Shen, Jieyu; Wang, Li; Fan, Yong; Guo, Yupeng; Xu, Jianing","Two scandium-based coordination polymers: rapid ultrasound-assisted synthesis, crystal transformation, and catalytic properties","CrystEngComm","2021","23","44","7813","7821","10.1039/D1CE01206A","","","0.71073","MoKα","","0.0511","0.0474","","","0.1319","0.1369","","","","","","1.056","","","","has coordinates","271154","2021-12-07","02:51:31",""
"7243819","13.9162","0.0005","25.5541","0.001","14.1871","0.0005","90","","106.461","0.001","90","","4838.4","0.3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 Mo12 N2 O64 Si -","- C52 H102 K4 Mo12 N2 O64 Si -","- C104 H204 K8 Mo24 N4 O128 Si2 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0754","0.0556","","","0.1054","0.1138","","","","","","1.041","","","","has coordinates","271838","2022-01-06","21:14:46",""
"7243820","13.9948","0.0007","25.5334","0.0013","14.1995","0.0007","90","","106.73","0.002","90","","4859.2","0.4","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H102 K4 N2 O64 Si W12 -","- C52 H102 K4 N2 O64 Si W11.9998 -","- C104 H204 K8 N4 O128 Si2 W23.9996 -","2","0.5","","Shi, Jianhang; Zhang, Hongxu; Wang, Peisen; Wang, Pai; Zha, Junjie; Liu, Yi; Gautam, Jagadis; Zhang, Lu-Nan; Wang, Yue; Xie, Ju; Ni, Lubin; Diao, Guowang; Wei, Yongge","Inorganic–organic hybrid supramolecular architectures based on Keggin polyoxometalates and crown ether: synthesis, crystal structure and electrochemical properties","CrystEngComm","2021","23","48","8482","8489","10.1039/D1CE01203G","","","0.71073","MoKα","","0.0729","0.0423","","","0.0718","0.0799","","","","","","1.018","","","","has coordinates","271838","2022-01-06","21:14:47",""
"7243821","7.057","0.0004","12.6851","0.0006","14.8883","0.0009","80.126","0.004","77.986","0.005","76.607","0.005","1257.45","0.12","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Br4 I2 N4 O2 -","- C18 H18 Br4 I2 N4 O2 -","- C36 H36 Br8 I4 N8 O4 -","2","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0526","0.0507","","","","0.1452","","","","","","0.928","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243822","15.4807","0.0005","9.1376","0.0004","17.3524","0.0005","90","","91.217","0.003","90","","2454.06","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br4 Cl0 I2 N2 O2 -","- C18 H16 Br4 I2 N2 O2 -","- C72 H64 Br16 I8 N8 O8 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0625","0.056","","","","0.1565","","","","","","1.044","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243823","10.9816","0.0002","15.6952","0.0002","13.8514","0.0002","90","","110.729","0.002","90","","2232.86","0.07","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C15 H14 Br2 Cl2 I2 N2 O -","- C15 H14 Br2 Cl2 I2 N2 O -","- C60 H56 Br8 Cl8 I8 N8 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0537","0.0522","","","","0.1591","","","","","","1.048","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243824","8.5741","0.0007","9.1611","0.0007","9.2506","0.0007","105.323","0.007","94.024","0.007","95.605","0.007","693.94","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","- C20 H18 Br4 Cl2 I2 N2 O2 -","1","0.5","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54184","CuKα","","0.0679","0.0635","","","","0.1949","","","","","","1.099","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243825","13.9401","0.0002","13.8771","0.0002","7.6055","0.0001","90","","90","","90","","1471.27","0.04","293","2","293","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C20 H30 Br4 I2 N4 O2 -","- C20 H32 Br4 I2 N4 O2 -","- C40 H64 Br8 I4 N8 O4 -","2","0.25","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0509","0.0504","","","","0.166","","","","","","1.163","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243826","7.773","0.0017","9.519","0.002","17.246","0.004","90","","91.254","0.004","90","","1275.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Br2 I N O -","- C9 H8 Br2 I N O -","- C36 H32 Br8 I4 N4 O4 -","4","1","","Milašinović, Valentina; Molčanov, Krešimir","Novel co-crystals with π-hole interactions between iodide anions and quinoid rings involving charge transfer","CrystEngComm","2021","23","46","8209","8214","10.1039/D1CE01156A","","","1.54179","CuKα","","0.0608","0.0579","","","","0.1761","","","","","","1.037","","","","has coordinates","271173","2021-12-07","03:07:42",""
"7243827","6.95","0.0014","7.941","0.0016","21.253","0.004","96.36","0.03","93.79","0.03","101.98","0.03","1135.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H15 N5 -","- C29 H15 N5 -","- C58 H30 N10 -","2","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1922","0.0684","","","0.1265","0.1721","","","","","","1.002","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243828","9.951","0.005","11.055","0.004","11.472","0.006","61.503","0.013","81.14","0.01","82.377","0.01","1093.3","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C2.82 H1.64 N0.27 -","- C2.81818 H1.63636 N0.272727 -","- C62 H36 N6 -","22","11","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.0888","0.0587","","","0.1616","0.1865","","","","","","1.008","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243829","14.271","0.003","10.228","0.002","14.842","0.003","90","","98.44","0.03","90","","2142.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 N3 -","- C29 H18 N3 -","- C116 H72 N12 -","4","1","","Khan, Arshad; Usman, Rabia; Li, Rongrong; Hajji, Melek; Tang, Haiming; Ma, Di","Polycyclic motif engineering in cyanostilbene-based donors towards highly efficient modulable emission properties in two-component systems","CrystEngComm","2021","23","47","8462","8470","10.1039/D1CE00959A","","","0.71073","MoKα","","0.1224","0.059","","","0.1352","0.1699","","","","","","1.005","","","","has coordinates","271837","2022-01-06","21:14:34",""
"7243830","11.6758","0.0005","9.9495","0.0005","31.6357","0.0012","90","","94.133","0.004","90","","3665.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 N2 O9.56 -","- C43 H34 N2 O9.56 -","- C172 H136 N8 O38.24 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1693","0.0724","","","0.1359","0.1752","","","","","","0.961","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243831","11.5248","0.0004","9.7579","0.0003","33.3652","0.0011","90","","95.796","0.001","90","","3733","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H35 N2 O9 -","- C43 H35 N2 O9 -","- C172 H140 N8 O36 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1275","0.0793","","","0.209","0.262","","","","","","0.829","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243832","11.1855","0.0002","9.8257","0.0002","33.0145","0.0006","90","","92.215","0.002","90","","3625.76","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43.59 H33.41 N2.59 O8.41 -","- C43.588 H33.412 N2.588 O8.412 -","- C174.352 H133.648 N10.352 O33.648 -","4","1","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.0576","0.0509","","","0.1254","0.1285","","","","","","1.095","","","","has coordinates,has disorder","271834","2022-01-06","21:14:02",""
"7243833","11.8376","0.0005","9.829","0.0004","31.8542","0.0015","90","","95.889","0.002","90","","3686.7","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C86 H74 N4 O19 -","- C86 H74 N4 O19 -","- C172 H148 N8 O38 -","2","0.5","","Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui","Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions","CrystEngComm","2021","23","47","8334","8342","10.1039/D1CE01182K","","","0.71073","MoKα","","0.1367","0.0921","","","0.1509","0.1665","","","","","","1.129","","","","has coordinates","271834","2022-01-06","21:14:02",""
"7243834","7.1986","0.0018","7.591","0.0018","28.718","0.007","84.702","0.017","89.324","0.018","80.32","0.02","1540.3","0.7","100","1","100","1","","","","","","","","4","P 1","P 1","1","","","","- C30 H49 N5 O4 -","- C30 H49 N5 O4 -","- C60 H98 N10 O8 -","2","2","","Polacchi, Luca; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence","Enhanced mechano-responsive fluorescence in polydiacetylene thin films through functionalization with tetrazine dyes: photopolymerization, energy transfer and AFM coupled to fluorescence microscopy studies","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03458H","","","1.54178","CuKα","","0.3944","0.1715","","","0.2919","0.395","","","","","","0.984","","","","has coordinates","270297","2021-11-04","01:59:59",""
"7243835","21.43","0.0003","13.5076","0.0001","9.2943","0.0001","90","","113.17","0.001","90","","2473.4","0.05","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TBPADP","","","- C44 H89 O8 P2 -","- C44 H89 O8 P2 -","- C88 H178 O16 P4 -","2","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.10497","","","","","","0.10497","0.19512","0.715","","","","","","","has coordinates","271155","2021-12-07","02:51:49",""
"7243836","13.8216","0.0004","10.531","0.0003","9.538","0.0002","83.576","0.001","93.435","0.001","109.149","0.002","1302.86","0.06","300","","300","","","","","","","","","4","P -1","-P 1","2","TBP","","","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","- C48 H81 O8 P2 -","1","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","1.77","synchrotron","","0.02813","","","","","","0.02811","0.06802","4.3378","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243837","19.5817","0.0002","19.58544","0.00006","12.02036","0.00006","90","","90","","90","","4610","0.05","300","","300","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","BTB-Pyram","","","- C21 O4 P -","- C21 O4 P -","- C168 O32 P8 -","8","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","powder diffraction","","0.8","synchrotron","","0.12309","","","","","","0.12329","0.14659","0.4902","","","","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243838","9.3115","0.0003","13.0344","0.0004","19.6397","0.0007","90","","91.56","0.003","90","","2382.78","0.14","123","","123","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H45 O4 P -","- C22 H45 O4 P -","- C88 H180 O16 P4 -","4","0.5","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.0363","0.0322","","","0.0841","0.0864","","","","","","1.054","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243839","19.1921","0.0007","20.0035","0.0008","11.7616","0.0004","90","","90","","90","","4515.4","0.3","223","","223","","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C42 H76 O8 P2 -","- C42 H76 O8 P2 -","- C168 H304 O32 P8 -","4","0.25","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","1.54184","CuKα","","0.0678","0.0507","","","0.1367","0.1489","","","","","","1.066","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243840","9.5325","0.0004","10.0097","0.0003","13.4783","0.0004","74.634","0.003","87.007","0.003","81.876","0.003","1227.5","0.08","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H41 O4 P -","- C24 H41 O4 P -","- C48 H82 O8 P2 -","2","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","x-ray","0.71073","MoKα","","0.084","0.0639","","","0.1843","0.1976","","","","","","1.111","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243841","15.9106","0.0005","14.2542","0.0004","15.9668","0.0005","90","","95.032","0.007","90","","3607.2","0.19","296","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H25 O4 P -","- C16 H25 O4 P -","- C128 H200 O32 P8 -","8","1","","Haneda, Tsuyoshi; Matsuno, Shinya; Yamamoto, Hisanao; Ohtsu, Hiroyoshi; Kawano, Masaki","Latency control of chemical reactions in polymerization of epoxy resins using a hydrogen bonding network","CrystEngComm","2021","23","44","7717","7719","10.1039/D1CE01163D","","","1.54187","CuKα","","0.0815","0.0598","","","0.1823","0.2064","","","","","","1.083","","","","has coordinates","271155","2021-12-07","02:51:50",""
"7243842","15.4121","0.0006","8.5604","0.0003","15.8404","0.0006","90","","98.365","0.001","90","","2067.65","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 I N O4 -","- C23 H22 I N O4 -","- C92 H88 I4 N4 O16 -","4","1","","Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong","I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines","Green Chemistry","2021","23","22","9165","9171","10.1039/D1GC02713A","","","0.71073","MoKα","","0.0244","0.0219","","","0.0504","0.0524","","","","","","1.064","","","","has coordinates","271848","2022-01-06","21:30:29",""
"7243843","9.216","0.005","21.035","0.01","10.878","0.006","90","","98.207","0.019","90","","2087.2","1.9","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","1","","Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong","I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines","Green Chemistry","2021","23","22","9165","9171","10.1039/D1GC02713A","","","0.71073","MoKα","","0.1381","0.0664","","","0.1388","0.1799","","","","","","1.007","","","","has coordinates","271848","2022-01-06","21:30:30",""
"7243844","8.0055","0.0002","15.3728","0.0005","17.6184","0.0004","90","","101.571","0.001","90","","2124.18","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 I N O4 -","- C23 H22 I N O4 -","- C92 H88 I4 N4 O16 -","4","1","","Wei, Xiaohui; Liang, Xuewu; Li, Yazhou; Liu, Qi; Liu, Xuyi; Zhou, Yu; Liu, Hong","I2-induced cascade cyclization and dearomatization of indoles for the highly efficient synthesis of iodinated and vinylic spiroindolenines","Green Chemistry","2021","23","22","9165","9171","10.1039/D1GC02713A","","","0.71073","MoKα","","0.0534","0.0434","","","0.1082","0.1176","","","","","","1.04","","","","has coordinates,has disorder","271848","2022-01-06","21:30:30",""
"7243845","8.7755","0.0009","4.8774","0.0005","72.679","0.008","90","","90","","90","","3110.8","0.6","100","","100.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H63 N O3 -","- C32 H63 N O3 -","- C128 H252 N4 O12 -","4","1","","Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J.","Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03704H","","","0.71073","MoKα","","0.0822","0.0685","","","0.1784","0.1851","","","","","","1.081","","","","has coordinates","270322","2021-11-05","02:07:41",""
"7243846","135.24","0.03","4.8798","0.0011","8.7392","0.0019","90","","91.27","0.003","90","","5766","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H55 N O3 -","- C29 H57 N O3 -","- C232 H456 N8 O24 -","8","1","","Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J.","Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03704H","","","0.71073","MoKα","","0.1339","0.1301","","","0.3172","0.3186","","","","","","1.108","","","","has coordinates","270322","2021-11-05","02:07:48",""
"7243847","144.31","0.03","4.888","0.0011","8.748","0.002","90","","91.444","0.003","90","","6169","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H61 N O3 -","- C31 H61 N O3 -","- C248 H488 N8 O24 -","8","1","","Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J.","Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03704H","","","0.71073","MoKα","","0.069","0.0658","","","0.1742","0.1763","","","","","","1.183","","","","has coordinates","270322","2021-11-05","02:07:51",""
"7243848","68.97","0.04","4.852","0.003","8.906","0.005","90","","92.787","0.009","90","","2977","3","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 H3.93 N0.07 O0.2 -","- C2 H3.93333 N0.0666667 O0.2 -","- C120 H236 N4 O12 -","60","15","","Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J.","Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03704H","","","0.71073","MoKα","","0.1929","0.1433","","","0.2996","0.3252","","","","","","1.082","","","","has coordinates","270322","2021-11-05","02:08:01",""
"7243849","143.4","0.02","4.8764","0.0007","8.7342","0.0013","90","","91.137","0.002","90","","6106.4","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H60 N O3 -","- C31 H61 N O3 -","- C248 H488 N8 O24 -","8","1","","Reddy, Soudherpally Thirupathi; Sivaramakrishna, Dokku; Mamatha, Keerthi; Sharma, Manju; Swamy, Musti J.","Packing polymorphism, odd–even alternation and thermotropic phase transitions in N-,O-diacylethanolamines with varying N-acyl chains. A combined experimental and computational study","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03704H","","","0.71073","MoKα","","0.1223","0.1189","","","0.2641","0.2655","","","","","","1.18","","","","has coordinates","270322","2021-11-05","02:08:04",""
"7243850","18.2332","0.0017","7.3341","0.0006","25.197","0.002","90","","101.888","0.004","90","","3297.2","0.5","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","","Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash","Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives","RSC Advances","2021","11","57","35737","35753","10.1039/D1RA03969E","","","0.71073","MoKα","","0.0764","0.0636","","","0.1885","0.2033","","","","","","1.0714","","","","has coordinates","270323","2021-11-05","02:33:31",""
"7243851","7.3066","0.0006","10.4657","0.0008","10.6788","0.0009","107.568","0.003","90.583","0.003","107.829","0.002","736.37","0.1","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C28 H30 Cl2 N4 O4 S2 -","2","1","","Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash","Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives","RSC Advances","2021","11","57","35737","35753","10.1039/D1RA03969E","","","0.71073","MoKα","","0.0429","0.0384","","","0.1104","0.1156","","","","","","1.076","","","","has coordinates","270323","2021-11-05","02:33:32",""
"7243852","7.3603","0.001","9.4648","0.0012","12.2076","0.0016","74.216","0.004","88.729","0.004","69.819","0.004","765.7","0.18","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","","Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash","Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives","RSC Advances","2021","11","57","35737","35753","10.1039/D1RA03969E","","","0.71073","MoKα","","0.0487","0.0423","","","0.1218","0.1298","","","","","","1.0675","","","","has coordinates","270323","2021-11-05","02:33:32",""
"7243853","5.77617","0.00012","28.7775","0.0006","7.41435","0.00013","90","","95.123","0.0019","90","","1227.52","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F N O2 -","- C16 H10 F N O2 -","- C64 H40 F4 N4 O8 -","4","1","","Aksenov, Alexander V.; Aksenov, Nicolai A.; Kirilov, Nikita K.; Skomorokhov, Anton A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Sorokina, Elena A.; Nobi, Mezvah A.; Rubin, Michael","Does electrophilic activation of nitroalkanes in polyphosphoric acid involve formation of nitrile oxides?","RSC Advances","2021","11","57","35937","35945","10.1039/D1RA06503C","","x-ray","1.54184","CuKα","","0.0533","0.0513","","","0.136","0.1374","","","","","","1.072","","","","has coordinates","270324","2021-11-05","02:34:14",""
"7243854","9.5985","0.0004","23.0985","0.0011","16.6315","0.0007","90","","90","","90","","3687.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish","Structure–mechanical property relationship of a pentapeptide crystal","CrystEngComm","2021","23","46","8093","8098","10.1039/D1CE00738F","","x-ray","0.71073","MoKα","","0.0562","0.0482","","","0.1048","0.1119","","","","","","1.07","","","","has coordinates","271177","2021-12-07","03:08:47",""
"7243855","9.4942","0.0008","18.7603","0.001","11.8071","0.0008","90","","112.137","0.009","90","","1948","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C88 H76 N4 O12 S4 Se4 -","4","1","","Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong","Visible-light-induced intermolecular aminoselenation of alkenes","Green Chemistry","2021","23","24","9968","9973","10.1039/D1GC03195C","","x-ray","0.71073","MoKα","","0.054","0.0395","","","0.0801","0.0874","","","","","","1.052","","","","has coordinates","271845","2022-01-06","21:29:56",""
"7243856","14.6984","0.0011","11.124","0.0005","14.3493","0.0011","90","","117.396","0.01","90","","2083.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S Se -","- C24 H21 N O3 S Se -","- C96 H84 N4 O12 S4 Se4 -","4","1","","Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong","Visible-light-induced intermolecular aminoselenation of alkenes","Green Chemistry","2021","23","24","9968","9973","10.1039/D1GC03195C","","x-ray","0.71073","MoKα","","0.0429","0.0336","","","0.0735","0.0773","","","","","","1.035","","","","has coordinates","271845","2022-01-06","21:29:57",""
"7243857","9.8465","0.0007","23.1935","0.0015","10.1145","0.0008","90","","108.968","0.008","90","","2184.5","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 N O2 S Se -","- C24 H29 N O2 S Se -","- C96 H116 N4 O8 S4 Se4 -","4","2","","Liu, Gong-Qing; Zhou, Chen-Fan; Zhang, Yun-Qian; Yi, Wei; Wang, Peng-Fei; Liu, Ji; Ling, Yong","Visible-light-induced intermolecular aminoselenation of alkenes","Green Chemistry","2021","23","24","9968","9973","10.1039/D1GC03195C","","x-ray","0.71073","MoKα","","0.0471","0.0383","","","0.0703","0.0747","","","","","","1.038","","","","has coordinates","271845","2022-01-06","21:29:57",""
"7243858","20.327","0.015","23.139","0.016","25.376","0.019","90","","94.941","0.013","90","","11891","15","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cluster-1","","- C97 H86 N10 Nd2 O32 Zn6 -","- C97 H86 N10 Nd2 O32 Zn6 -","- C388 H344 N40 Nd8 O128 Zn24 -","4","1","","Niu, Mengyu; Yang, Xiaoping; Ma, Yanan; Wang, Chengri; Schipper, Desmond","NIR luminescent detection of quercetin based on an octanuclear Zn(ii)–Nd(iii) salen nanocluster","RSC Advances","2021","11","57","35893","35897","10.1039/D1RA06494K","","","0.71073","MoKα","","0.1499","0.0913","","","0.1995","0.2449","","","","","","1.163","","","","has coordinates","270341","2021-11-06","16:07:03",""
"7243861","13.0139","0.0006","8.364","0.0004","15.6352","0.0007","90","","105.259","0.001","90","","1641.87","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 Cd N6 O10 -","- C38 H26 Cd N6 O10 -","- C76 H52 Cd2 N12 O20 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0393","0.0279","","","0.0715","0.078","","","","","","0.996","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243862","7.4456","0.0006","10.0938","0.0008","20.1002","0.0015","80.984","0.002","81.683","0.002","87.5","0.002","1475.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H25 Cd N5 O9 -","- C32 H25 Cd N5 O9 -","- C64 H50 Cd2 N10 O18 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.088","0.05","","","0.0901","0.1165","","","","","","1.005","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243863","8.604","0.005","10.136","0.005","11.831","0.005","90.865","0.005","101.993","0.005","101.402","0.005","987.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cd N2 O6 -","- C21 H18 Cd N2 O6 -","- C42 H36 Cd2 N4 O12 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.055","0.0421","","","0.1066","0.1139","","","","","","1.021","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243864","6.8068","0.0003","22.8205","0.0011","14.2425","0.0007","90","","92.986","0.001","90","","2209.35","0.18","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cd3 N4 O16 -","- C44 H42 Cd3 N4 O16 -","- C88 H84 Cd6 N8 O32 -","2","0.5","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0683","0.0414","","","0.0886","0.0994","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243865","9.033","0.005","9.906","0.005","19.233","0.005","98.94","0.005","96.928","0.005","115.762","0.005","1496.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O6 Zn -","- C33 H26 N4 O6 Zn -","- C66 H52 N8 O12 Zn2 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71069","MoKα","","0.1241","0.0737","","","0.2074","0.241","","","","","","1.057","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243866","4.8119","0.0005","12.3498","0.0012","34.966","0.004","90.387","0.002","93.527","0.002","93.29","0.002","2070.4","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H20 Cd2 Cl8 N4 O10 -","- C40 H20 Cd2 Cl8 N4 O10 -","- C80 H40 Cd4 Cl16 N8 O20 -","2","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","x-ray","0.71073","MoKα","K-L~3~","0.094","0.0556","","","0.1384","0.1635","","","","","","1.04","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243867","21.4405","0.0015","10.1496","0.0006","27.784","0.0018","90","","108.755","0.002","90","","5725.1","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd N4 O8 -","- C32 H26 Cd N4 O8 -","- C256 H208 Cd8 N32 O64 -","8","1","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.06","0.0342","","","0.0668","0.0757","","","","","","0.966","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243868","8.609","0.0007","9.6249","0.0008","17.9177","0.0014","97.561","0.002","94.156","0.002","116.185","0.002","1306.43","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.62 H3.12 N0.5 O Zn0.12 -","- C3.625 H3.125 N0.5 O Zn0.125 -","- C58 H50 N8 O16 Zn2 -","16","8","","Chen, Yaxuan; Liu, Guocheng; Wang, Xiuli; Lu, Xue; Xu, Na; Chang, Zhihan; Zhang, Zhong; Li, Xiaohui","Various carboxylates induced eight Zn(ii)/Cd(ii) coordination polymers with fluorescence sensing activities for Fe(iii), Cr(vi) and oxytetracycline","CrystEngComm","2021","23","46","8077","8086","10.1039/D1CE01166A","","","0.71073","MoKα","","0.0715","0.042","","","0.0824","0.0936","","","","","","1","","","","has coordinates","271180","2021-12-07","03:09:26",""
"7243869","11.1927","0.001","12.9714","0.0011","21.8377","0.0019","80.98","0.005","77.033","0.005","76.035","0.005","2980.6","0.5","173","2","173.02","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","- C72 H76 Cl4 Mn N8 O22 Zr6 -","1","0.5","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.133","0.0635","","","0.1572","0.1865","","","","","","1.037","","","","has coordinates","271176","2021-12-07","03:08:25",""
"7243870","10.51","0.004","16.988","0.007","29.61","0.012","90","","90","","90","","5287","4","173","2","173.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N4 Ni O19 Zr3 -","- C33 H29 Cl3 N3 Ni O13 Zr3 -","- C132 H116 Cl12 N12 Ni4 O52 Zr12 -","4","1","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.0559","","","0.1086","0.1264","","","","","","0.99","","","","has coordinates","271176","2021-12-07","03:08:28",""
"7243871","16.9618","0.001","16.9618","0.001","28.201","0.003","90","","90","","120","","7026.5","0.9","153","2","153","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H81 Mn6 N12 Na3 O47 -","- C69.9998 H69.0002 Mn6 N12 Na3 O47.0002 -","- C209.999 H207.001 Mn18 N36 Na9 O141.001 -","3","0.166667","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0355","0.0314","","","0.0834","0.0881","","","","","","1.057","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243872","11.6155","0.0004","13.4396","0.0006","16.6802","0.0008","86.026","0.004","75.057","0.003","85.102","0.005","2503.64","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Mn3 N8 O24 -","- C38 H39 Mn3 N8 O24 -","- C76 H78 Mn6 N16 O48 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.171","0.092","","","0.2347","0.2937","","","","","","1.079","","","","has coordinates","271843","2022-01-06","21:16:20",""
"7243873","13.502","0.0007","14.1079","0.0008","15.3728","0.0007","84.81","0.004","68.896","0.004","77.273","0.005","2664.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H51 Mn3 N6 Na2 O21 -","- C45 H51 Mn3 N6 Na2 O21 -","- C90 H102 Mn6 N12 Na4 O42 -","2","1","","Wu, Yan-Fang; Hu, Zhao-Bo; Quan, Lixia; Jing, Leina; Zhang, Jinlei; Chen, Zilu","Single-molecule magnet achieved through topological tuning with sodium ions","CrystEngComm","2021","23","48","8490","8497","10.1039/D1CE01382C","","","0.71073","MoKα","","0.0895","0.0687","","","0.1675","0.1847","","","","","","1.139","","","","has coordinates,has disorder","271843","2022-01-06","21:16:20",""
"7243874","12.8766","0.0003","6.3085","0.0001","16.9497","0.0004","90","","90","","90","","1376.86","0.05","169.99","0.1","169.99","0.1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H13 N O4 S3 -","- C10 H13 N O4 S3 -","- C40 H52 N4 O16 S12 -","4","1","","Gong, Kai; Zhou, Yilin; Jiang, Xuefeng","From symmetrical tetrasulfides to trisulfide dioxides via photocatalysis","Green Chemistry","2021","23","24","9865","9869","10.1039/D1GC03242A","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.0688","0.0696","","","","","","1.049","","","","has coordinates","271846","2022-01-06","21:30:02",""
"7243875","7.0308","0.0002","14.1809","0.0004","24.9877","0.0006","90","","92.536","0.001","90","","2488.91","0.12","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Echioidinin","","- C16 H12 O5 -","- C16 H12 O5 -","- C128 H96 O40 -","8","2","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54178","CuKα","","0.0475","0.0463","","","0.1237","0.1248","","","","","","1.113","","","","has coordinates","270539","2021-11-09","02:23:31",""
"7243876","11.5283","0.0007","8.0352","0.0005","24.3766","0.0015","90","","103.495","0.004","90","","2195.7","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","5,2?,6?-trihydroxy-7-methoxyflavone 2?-O-β-D-glucopyranoside","","- C23 H26 O12 -","- C23 H26 O12 -","- C92 H104 O48 -","4","2","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54178","CuKα","","0.0724","0.0695","","","0.1774","0.1815","","","","","","1.09","","","","has coordinates","270539","2021-11-09","02:23:32",""
"7243877","4.921","0.0011","21.735","0.004","13.1847","0.0011","90","","96.263","0.011","90","","1401.8","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Skullcapflavone I","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54184","CuKα","","0.046","0.0442","","","0.1105","0.112","","","","","","1.066","","","","has coordinates","270539","2021-11-09","02:23:32",""
"7243878","12.765","0.0007","12.8233","0.0008","14.6204","0.0008","76.975","0.005","64.278","0.005","68.218","0.006","1996.2","0.2","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 Dy N9 O4 -","- C39 H48 Cl2 Dy N9 O4 -","- C78 H96 Cl4 Dy2 N18 O8 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0371","","","0.0807","0.0852","","","","","","1.059","","","","has coordinates","271836","2022-01-06","21:14:26",""
"7243879","9.1671","0.0005","11.9694","0.0008","19.5627","0.0011","84.62","0.005","84.325","0.005","88.419","0.005","2126.2","0.2","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C41 H43 Dy N10 O10 -","- C41 H43 Dy N10 O10 -","- C82 H86 Dy2 N20 O20 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0801","0.0615","","","0.124","0.1352","","","","","","1.047","","","","has coordinates,has disorder","271836","2022-01-06","21:14:27",""
"7243880","9.2418","0.0004","11.8854","0.0004","19.2808","0.0007","81.334","0.003","82.417","0.003","88.254","0.003","2075.24","0.14","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Dy N11 O11 -","- C40 H42 Dy N11 O11 -","- C80 H84 Dy2 N22 O22 -","2","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0455","0.0362","","","0.0675","0.071","","","","","","1.071","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243881","11.8504","0.0004","9.1104","0.0003","37.8203","0.0011","90","","97.811","0.003","90","","4045.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H43 Dy N10 O9 -","- C40 H43 Dy N10 O9 -","- C160 H172 Dy4 N40 O36 -","4","1","","Chen, Bo-Yi; Tsai, Min-Yem; Su, Yu-Chia; Lin, Po-Heng; Long, Jérôme","Synthesis, structures and magnetic properties of dysprosium(iii) complexes based on amino-bis(benzotriazole phenolate) and nitrophenolates: influence over the slow relaxation of the magnetization","CrystEngComm","2021","23","47","8343","8350","10.1039/D1CE00909E","","","0.71073","MoKα","","0.0499","0.0408","","","0.065","0.0671","","","","","","1.188","","","","has coordinates","271836","2022-01-06","21:14:27",""
"7243882","46.8542","0.0019","18.1479","0.0008","18.2239","0.0008","90","","112.584","0.001","90","","14307.6","1.1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C163 H183 B2 Dy2 O14 Si4 -","- C163 H183 B2 Dy2 O14 Si4 -","- C652 H732 B8 Dy8 O56 Si16 -","4","0.5","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0995","0.0598","","","0.1301","0.157","","","","","","1.014","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243883","14.334","0.002","16.468","0.002","14.54","0.002","90","","113.635","0.003","90","","3144.3","0.7","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H77 Dy O7 Si3 -","- C70 H77 Dy O7 Si3 -","- C140 H154 Dy2 O14 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0914","0.0564","","","0.0996","0.1104","","","","","","0.996","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243884","14.2745","0.0004","16.2901","0.0005","15.0762","0.0004","90","","115.806","0.001","90","","3156.1","0.16","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H69 Dy N2 O5 Si3 -","- C72 H69 Dy N2 O5 Si3 -","- C144 H138 Dy2 N4 O10 Si6 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0504","0.0349","","","0.0539","0.0572","","","","","","1.028","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243885","14.2076","0.0006","14.4956","0.0006","20.1298","0.0008","75.221","0.002","83.003","0.002","64.803","0.001","3626.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H96 B Dy O6 Sn2 -","- C82 H96 B Dy O6 Sn2 -","- C164 H192 B2 Dy2 O12 Sn4 -","2","1","","Long, Jérôme; Tolpygin, Aleksei O.; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","Tuning the coordination sphere of octahedral Dy(iii) complexes with silanolate/stannanolate ligands: synthesis, structures and slow relaxation of the magnetization","CrystEngComm","2021","23","47","8351","8359","10.1039/D1CE01266E","","","0.71073","MoKα","","0.0886","0.0452","","","0.0787","0.0901","","","","","","1.031","","","","has coordinates,has disorder","271830","2022-01-06","21:13:12",""
"7243886","16.5639","0.0008","17.9149","0.0009","25.3059","0.0015","104.626","0.003","106.317","0.002","91.236","0.002","6938.6","0.6","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C180 H372 Ag8 Mo32 N36 O108 -","4","2","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.1124","0.0742","","","0.1557","0.1699","","","","","","1.087","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243887","17.5214","0.0004","16.1843","0.0004","23.4644","0.0006","90","","90","","90","","6653.8","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H86 Ag2 Mo8 N8 O26 -","- C42 H86 Ag2 Mo8 N8 O26 -","- C168 H344 Ag8 Mo32 N32 O104 -","4","0.5","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0471","0.0505","","","","","","1.047","","","","has coordinates","271844","2022-01-06","21:16:31",""
"7243888","12.9493","0.0007","16.7502","0.0005","18.016","0.0009","88.198","0.001","74.295","0.001","68.962","0.001","3501.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H93 Ag2 Mo8 N9 O27 -","- C45 H93 Ag2 Mo8 N9 O27 -","- C90 H186 Ag4 Mo16 N18 O54 -","2","1","","Abramov, Pavel A.; Komarov, Vladislav Yu.; Pischur, Denis A.; Sulyaeva, Veronica S.; Benassi, Enrico; Sokolov, Maxim N.","Solvatomorphs of (Bu4N)2[{Ag(N2-py)}2Mo8O26]: structure, colouration and phase transition","CrystEngComm","2021","23","48","8527","8537","10.1039/D1CE01152A","","","0.71073","MoKα","","0.1062","0.0694","","","0.1466","0.1824","","","","","","1.104","","","","has coordinates,has disorder","271844","2022-01-06","21:16:31",""
"7243893","7.17026","0.00019","21.7971","0.0005","13.6848","0.0004","90","","98.637","0.003","90","","2114.55","0.1","293.1","0.2","293.1","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cl F N4 O2 S -","- C22 H18 Cl F N4 O2 S -","- C88 H72 Cl4 F4 N16 O8 S4 -","4","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei","Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions","Green Chemistry","2021","23","23","9571","9576","10.1039/D1GC03048E","","x-ray","1.54184","CuKα","","0.0629","0.0545","","","0.1452","0.1552","","","","","","1.04","","","","has coordinates","271851","2022-01-06","21:31:03",""
"7243894","12.7213","0.0003","10.0584","0.0003","17.2909","0.0005","90","","106.273","0.003","90","","2123.84","0.11","292.4","0.4","292.4","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl N O4 S -","- C23 H20 Cl N O4 S -","- C92 H80 Cl4 N4 O16 S4 -","4","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei","Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions","Green Chemistry","2021","23","23","9571","9576","10.1039/D1GC03048E","","x-ray","1.54184","CuKα","","0.0474","0.0397","","","0.106","0.1139","","","","","","1.048","","","","has coordinates","271851","2022-01-06","21:31:04",""
"7243895","19.8661","0.0003","9.09317","0.00015","25.7813","0.0004","90","","109.671","0.0018","90","","4385.48","0.13","150","0.2","150","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C25 H25 N O4 S -","- C25 H25 N O4 S -","- C200 H200 N8 O32 S8 -","8","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei","Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions","Green Chemistry","2021","23","23","9571","9576","10.1039/D1GC03048E","","x-ray","1.54184","CuKα","","0.0481","0.0446","","","0.1253","0.1279","","","","","","1.063","","","","has coordinates","271851","2022-01-06","21:31:04",""
"7243896","8.65981","0.00014","17.7339","0.0002","27.7046","0.0004","90","","90","","90","","4254.66","0.1","293.41","0.1","293.41","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H22 N4 O2 S -","- C23 H22 N4 O2 S -","- C184 H176 N32 O16 S8 -","8","1","","Guo, Sheng-Qiang; Yang, Hui-Qing; Wang, Ai-Lian; Jiang, Yu-Zhen; Xu, Guo-Qiang; Luo, Yong-Chun; Chen, Zhao-Xu; Xu, Peng-Fei","Divergent Ritter-type amination via photoredox catalytic four-component radical-polar crossover reactions","Green Chemistry","2021","23","23","9571","9576","10.1039/D1GC03048E","","x-ray","1.54184","CuKα","","0.0509","0.0411","","","0.1066","0.1142","","","","","","1.037","","","","has coordinates","271851","2022-01-06","21:31:04",""
"7243897","9.1817","0.0005","13.0615","0.0007","15.0182","0.0008","96.107","0.002","92.85","0.002","104.079","0.002","1731.72","0.16","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Eu N2 O6 S3 -","- C36 H29 Eu N2 O6 S3 -","- C72 H58 Eu2 N4 O12 S6 -","2","1","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0508","0.0484","","","0.1215","0.1233","","","","","","1.053","","","","has coordinates","270594","2021-11-11","02:06:51",""
"7243898","9.4489","0.0007","13.2007","0.0011","14.8576","0.0011","90.152","0.004","94.059","0.003","102.044","0.003","1807.6","0.2","150","2","150","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H23 Eu F6 N2 O6 S3 -","- C36 H22.671 Eu F6 N2 O6 S3 -","- C72 H45.342 Eu2 F12 N4 O12 S6 -","2","1","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0968","0.064","","","0.1188","0.131","","","","","","1.016","","","","has coordinates,has disorder","270594","2021-11-11","02:06:58",""
"7243899","20.6112","0.0006","17.9832","0.0005","25.1758","0.0008","90","","90","","90","","9331.5","0.5","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H20 Eu F21 N2 O6 S3 -","- C42 H20 Eu F21 N2 O6 S3 -","- C336 H160 Eu8 F168 N16 O48 S24 -","8","1","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0778","0.0704","","","0.1583","0.1631","","","","","","1.1","","","","has coordinates,has disorder","270594","2021-11-11","02:07:14",""
"7243900","9.8914","0.0005","10.6986","0.0005","38.1886","0.0018","90","","89.992","0.002","90","","4041.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H26 Eu F9 N2 O7 S3 -","- C39 H25.5 Eu F9 N2 O7 S3 -","- C156 H102 Eu4 F36 N8 O28 S12 -","4","2","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0709","0.0556","","","0.0914","0.0965","","","","","","1.105","","","","has coordinates,has disorder","270594","2021-11-11","02:07:21",""
"7243901","15.2499","0.0008","15.6839","0.0008","22.6048","0.0011","78.939","0.001","89.664","0.001","79.532","0.001","5215.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H20 Eu F27 N2 O6 S3 -","- C45 H20 Eu F27 N2 O6 S3 -","- C180 H80 Eu4 F108 N8 O24 S12 -","4","2","","Varaksina, Evgeniya A.; Kiskin, Mikhail A.; Lyssenko, Konstantin A.; Puntus, Lada N.; Korshunov, Vladislav M.; Silva, Gustavo S.; Freire, Ricardo O.; Taydakov, Ilya V.","Tuning the luminescence efficiency by perfluorination of side chains in Eu3+ complexes with β-diketones of the thiophene series","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP02951G","","","0.71073","MoKα","","0.0999","0.0745","","","0.1831","0.2021","","","","","","0.997","","","","has coordinates,has disorder","270594","2021-11-11","02:07:22",""
"7243902","5.8955","0.0001","12.6957","0.0003","15.6399","0.0004","66.206","0.002","86.515","0.002","80.988","0.002","1057.88","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,3-Diferrocenyl-2-methylene-4-nitrobutan-1-one","","- C25 H23 Fe2 N O3 -","- C25 H23 Fe2 N O3 -","- C50 H46 Fe4 N2 O6 -","2","1","","Stevanović, Dragana; Bugarinović, Jovana; Pešić, Marko; Todosijević, Anka; Bogdanović, Goran A.; Damljanović, Ivan","Chemoselective synthesis of multifunctional ferrocene-containing derivatives by the cross Rauhut–Currier reaction","RSC Advances","2021","11","57","36208","36214","10.1039/D1RA07619A","","x-ray","0.71073","MoKα","","0.0386","0.0364","","","0.0937","0.0946","","","","","","1.272","","","","has coordinates","270595","2021-11-11","02:31:45",""
"7243903","16.0135","0.0006","16.0135","0.0006","26.0061","0.0014","90","","90","","120","","5775.4","0.4","297","","297","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H42 N14 Ni -","- C54 H42 N14 Ni -","- C162 H126 N42 Ni3 -","3","0.166667","","Li, Bei; Lei, Qingjuan; Qin, Tong; Zhang, Xiaoxian; Zhao, Dongsheng; Wang, Feng; Li, Wenqian; Zhang, Zhengguo; Fan, Liming","Anion exchange strategy to improve electrocatalytic hydrogen evolution performances in cationic metal–organic frameworks","CrystEngComm","2021","23","47","8260","8264","10.1039/D1CE01210J","","x-ray","1.54184","CuKα","","0.0624","0.0569","","","0.17","0.176","","","","","","1.144","","","","has coordinates","271835","2022-01-06","21:14:17",""
"7243905","15.4575","0.0009","15.4575","0.0009","88.791","0.007","90","","90","","120","","18373","2","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1519","0.1067","","","0.29","0.319","","","","","","1.128","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243906","15.531","0.002","15.531","0.002","89.937","0.018","90","","90","","120","","18787","5","243","2","243","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O36 Zn3 -","- C108 H84 N18 O36 Zn3 -","- C648 H504 N108 O216 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.67","synchrotron","","0.1332","0.1014","","","0.2793","0.2997","","","","","","1.742","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243907","15.3498","0.0004","15.3498","0.0004","84.37","0.003","90","","90","","120","","17215.7","0.9","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C108 H88 N18 O38 Zn3 -","- C108 H84 N18 O38 Zn3 -","- C648 H504 N108 O228 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1355","0.1171","","","0.2976","0.3111","","","","","","1.237","","","","has coordinates","271841","2022-01-06","21:15:54",""
"7243908","15.1763","0.0005","15.1763","0.0005","84.264","0.003","90","","90","","120","","16807.6","1","173","2","173","2","","","","","","","","5","P 61","P 61","169","","","","- C108 H84 N18 O38 Zn3 -","- C108 H84 N17.991 O37.973 Zn3 -","- C648 H504 N107.946 O227.838 Zn18 -","6","1","","Park, Junmyeong; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Pair of chiral molecular ladders and successive hydration in single-crystal-to-single-crystal mode","CrystEngComm","2021","23","48","8546","8552","10.1039/D1CE01332G","","","0.71073","MoKα","","0.1654","0.1409","","","0.3414","0.3564","","","","","","1.34","","","","has coordinates,has disorder","271841","2022-01-06","21:15:54",""
"7243921","8.3887","0.0007","10.3405","0.0009","11.1345","0.0011","80.652","0.001","89.883","0.002","80.627","0.001","940","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H5 Cd2 N7 O8 -","- C15 H7 Cd2 N7 O9 -","- C30 H14 Cd4 N14 O18 -","2","1","","Li, Jing; Zhao, Yun-Xiu; Wu, Qian; Yang, Hua; Lu, Jing; Ma, Hui-Yan; Wang, Su-Na; Li, Yun-Wu","A Cd-MOF fluorescence sensor with dual functional sites for efficient detection of metal ions in multifarious water environments","CrystEngComm","2021","23","47","8392","8403","10.1039/D1CE01308D","","","0.71073","MoKα","","0.1029","0.0945","","","0.2783","0.2999","","","","","","1.315","","","","has coordinates","271831","2022-01-06","21:13:20",""
"7243922","13.3118","0.0001","18.7973","0.0001","13.9779","0.0001","90","","97.417","0.001","90","","3468.37","0.04","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N1-phenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium hexafulolophosphate","","","- C32 H26 F12 N6 P2 Ru -","- C32 H26 F12 N6 P2 Ru -","- C128 H104 F48 N24 P8 Ru4 -","4","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","x-ray","1.54184","CuKα","","0.0372","0.0349","","","0.0958","0.0976","","","","","","1.063","","","","has coordinates","270675","2021-11-16","02:33:22",""
"7243923","11.2579","0.0001","17.1076","0.0002","19.0176","0.0002","90","","95.982","0.001","90","","3642.76","0.07","298.15","","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","dianilinebis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)","","","- C34 H30 F6 N6 O6 Ru S2 -","- C34 H30 F6 N6 O6 Ru S2 -","- C136 H120 F24 N24 O24 Ru4 S8 -","4","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","","1.54184","CuKα","","0.0351","0.0324","","","0.0839","0.0857","","","","","","1.068","","","","has coordinates,has disorder","270675","2021-11-16","02:33:23",""
"7243924","10.0063","0.0001","10.2443","0.0002","10.4305","0.0002","114.725","0.002","93.032","0.001","100.152","0.001","946.35","0.03","298.15","","298.15","","","","","","","","","7","P -1","-P 1","2","di(2,6-difluoroaniline)bis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)","","","- C34 H26 F10 N6 O6 Ru S2 -","- C34 H26 F10 N6 O6 Ru S2 -","- C34 H26 F10 N6 O6 Ru S2 -","1","0.5","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","","1.54184","CuKα","","0.0557","0.0543","","","0.154","0.1547","","","","","","1.076","","","","has coordinates","270675","2021-11-16","02:33:23",""
"7243925","13.2725","0.0001","13.5131","0.0001","13.7967","0.0001","104.582","0.001","103.059","0.001","116.309","0.001","1977.56","0.04","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","methylphenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium bis(hexafulolophosphate)","","","- C34 H30 F12 N6 P2 Ru -","- C34 H30 F12 N6 P2 Ru -","- C68 H60 F24 N12 P4 Ru2 -","2","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","x-ray","1.54184","CuKα","","0.0523","0.0501","","","0.1416","0.1445","","","","","","1.05","","","","has coordinates","270675","2021-11-16","02:33:24",""
"7243926","11.2388","0.0001","22.2125","0.0003","15.9788","0.0002","90","","91.188","0.001","90","","3988.12","0.08","298.15","","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","di(4-methylaniline)bis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)","","","- C36 H34 F6 N6 O6 Ru S2 -","- C36 H34 F6 N6 O6 Ru S2 -","- C144 H136 F24 N24 O24 Ru4 S8 -","4","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","x-ray","1.54184","CuKα","","0.0613","0.052","","","0.1548","0.1846","","","","","","1.157","","","","has coordinates","270675","2021-11-16","02:33:24",""
"7243927","8.2293","0.0002","10.0168","0.0003","21.787","0.0006","79.927","0.002","88.945","0.002","89.73","0.002","1767.94","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O5 -","- C22 H15 N O5 -","- C88 H60 N4 O20 -","4","2","","Mousavi, Seyedeh Hekmat; Mohammadizadeh, Mohammad Reza; Poorsadeghi, Samira; Arimitsu, Satoru; Mohammadsaleh, Fatemeh; Kojya, Genta; Gima, Shinichi","One-pot synthesis of new alkyl 1-naphthoates bearing quinoline, pyranone and cyclohexenone moieties via metal-free sequential addition/oxidation reactions","RSC Advances","2021","11","58","36748","36752","10.1039/D1RA07092D","","","0.71073","MoKα","","0.0922","0.0573","","","0.1296","0.1504","","","","","","1.044","","","","has coordinates","270711","2021-11-17","02:31:50",""
"7243928","14.1916","0.0004","14.043","0.0005","26.3455","0.0006","90","","92.889","0.002","90","","5243.8","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Co N3 O5 -","- C29 H22 Co N3 O5 -","- C232 H176 Co8 N24 O40 -","8","1","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.1103","0.0607","","","0.1516","0.1774","","","","","","1.03","","","","has coordinates","271840","2022-01-06","21:15:15",""
"7243929","12.622","0.0009","11.7644","0.0009","23.5657","0.0017","90","","95.079","0.006","90","","3485.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H66 Co2 N14 O14 -","- C76 H66 Co2 N14 O14 -","- C152 H132 Co4 N28 O28 -","2","0.5","","Wen, Ming-Yue; Ren, Li; Cui, Guang-Hua","Two Co(ii) complexes containing pyridylbenzimidazole ligands as chemosensors for the sensing of levofloxacin, acetylacetone, and Ni2+ with high selectivity and sensitivity","CrystEngComm","2021","23","48","8563","8571","10.1039/D1CE01271A","","","0.71073","MoKα","","0.0844","0.0505","","","0.1148","0.1313","","","","","","1.028","","","","has coordinates,has disorder","271840","2022-01-06","21:15:15",""
"7243932","13.985","0.0012","25.773","0.002","25.773","0.002","90","","90","","90","","9289.5","1.3","298.15","","298.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C131 H106 Cd9 N6 O54 -","- C131 H106 Cd9 N6 O54 -","- C262 H212 Cd18 N12 O108 -","2","0.25","","Wang, Xiao-Qing; Ma, Xuehui; Feng, Doudou; Wu, Dan; Yang, Jie","A stable Ln(iii)-functionalized Cd(ii)-based metal–organic framework: tunable white-light emission and fluorescent probe for monitoring bilirubin","RSC Advances","2021","11","58","36913","36919","10.1039/D1RA06592K","","","0.71073","MoKα","","0.1463","0.1003","","","0.2973","0.3231","","","","","","1.082","","","","has coordinates","270744","2021-11-18","02:11:36",""
"7243933","11.1603","0.0003","11.9646","0.0003","13.1785","0.0003","81.0129","0.001","70.9839","0.0009","80.0849","0.001","1629.33","0.07","200","","200","","","","101","","","","","4","P -1","-P 1","2","","","","- C66 H88 O8 S6 -","- C66 H88 O8 S6 -","- C66 H88 O8 S6 -","1","0.5","","Kaiser, Lukáš; Landovský, Tomáš; Salvadori, Karolína; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Breaking thiacalix[4]arene into pieces – a novel synthetic approach to higher calixarenes bearing mixed (–S–, –CH2–) bridges","RSC Advances","2021","11","58","36934","36941","10.1039/D1RA07464D","","","1.54178","CuKα","","0.0361","0.0333","","0.0822","0.0797","0.0822","","","","","","0.9642","","","","has coordinates,has disorder","270745","2021-11-18","02:12:08",""
"7243934","13.233","0.0003","14.4941","0.0004","14.675","0.0004","71.9424","0.0011","82.1907","0.0011","89.1864","0.0012","2650.05","0.12","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H72 O7 S3 -","- C54 H72 O7 S3 -","- C108 H144 O14 S6 -","2","1","","Kaiser, Lukáš; Landovský, Tomáš; Salvadori, Karolína; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Breaking thiacalix[4]arene into pieces – a novel synthetic approach to higher calixarenes bearing mixed (–S–, –CH2–) bridges","RSC Advances","2021","11","58","36934","36941","10.1039/D1RA07464D","","","1.54178","CuKα","","0.0633","0.055","","0.1527","0.1417","0.1527","","","","","","0.9751","","","","has coordinates,has disorder","270745","2021-11-18","02:12:08",""
"7243935","29.078","0.004","8.723","0.0012","12.0174","0.0016","90","","93.915","0.006","90","","3041.1","0.7","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C29.42 H25.64 F2 N5.21 O4 S2 -","- C29.424 H25.636 F2 N5.212 O4 S2 -","- C117.696 H102.544 F8 N20.848 O16 S8 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0745","0.0623","","","0.1397","0.1454","","","","","","1.05","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243936","7.892","0.0002","11.2256","0.0003","24.2967","0.0006","90","","90","","90","","2152.5","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F2 N5 O2 S -","- C22 H19 F2 N5 O2 S -","- C88 H76 F8 N20 O8 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.031","0.0285","","","0.0697","0.0711","","","","","","1.035","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243937","5.825","0.0003","17.3293","0.0008","9.7547","0.0004","90","","97.072","0.002","90","","977.18","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H17 F2 N5 O S -","- C22 H17 F2 N5 O S -","- C44 H34 F4 N10 O2 S2 -","2","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0269","0.0258","","","0.0655","0.0663","","","","","","1.053","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243938","6.1215","0.0003","11.1722","0.0005","34.3989","0.0017","90","","90","","90","","2352.56","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F2 N5 O5 P S -","- C22 H20 F2 N5 O5 P S -","- C88 H80 F8 N20 O20 P4 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0292","0.0276","","","0.066","0.067","","","","","","1.062","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243939","17.497","0.005","17.497","0.005","17.497","0.005","90","","90","","90","","5357","3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","zinc;2-methylimidazol-3-ide","","- C8 H10 N4 Zn -","- C8 H10 N4 Zn -","- C96 H120 N48 Zn12 -","12","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1644","0.1137","","","0.2787","0.3136","","","","","","1.089","","","","has coordinates,has disorder","283751","2023-05-14","07:37:52",""
"7243940","7.0688","0.0011","7.0688","0.0011","4.157","0.0016","90","","90","","90","","207.72","0.09","293","","293","","","","","","","","","3","P 4/m m m","-P 4 2","123","","","","- Cl4 K2 Pt -","- Cl4 K2 Pt -","- Cl4 K2 Pt -","1","0.0625","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1652","0.1652","","","0.4466","0.4466","","","","","","3.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243941","13.507","0.01","11.432","0.007","11.114","0.009","90","","109.81","0.07","90","","1615","2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2,4,6-tripyridin-4-yl-1,3,5-triazine","","- C18 H12 N6 -","- C18 H12 N6 -","- C72 H48 N24 -","4","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2375","0.19","","","0.4192","0.4328","","","","","","2.477","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243942","5.1022","0.0018","13.858","0.005","14.596","0.005","90","","90","","90","","1032","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","- C9 H12 N3 O5 -","- C9 H12 N3 O5 -","- C36 H48 N12 O20 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1583","0.0988","","","0.2293","0.2634","","","","","","1.044","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243943","7.8","0.5","20.2","0.2","11.5","0.2","90","","90","","90","","1812","12","293","","293","","","","","","","","","2","P n a 21","P 2c -2n","33","","1,3,5-triphenylbenzene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1722","0.1067","","","0.2658","0.3098","","","","","","1.031","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243944","6.66","0.19","13.2","0.3","26.77","0.12","90","","90","","90","","2353","9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide","","- C23 H36 N2 O2 -","- C23 H36 N2 O2 -","- C92 H144 N8 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1799","0.1351","","","0.2804","0.3083","","","","","","1.086","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243945","9.146","0.004","9.99","0.005","13.028","0.005","93.78","0.04","97","0.04","101.72","0.04","1151.8","0.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine","","- C22 H24 Cl F N4 O3 -","- C22 H24 Cl F N4 O3 -","- C44 H48 Cl2 F2 N8 O6 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.208","0.1545","","","0.3466","0.3697","","","","","","2.167","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243946","8.302","0.003","10.025","0.006","10.638","0.006","115.25","0.06","91.67","0.05","95.51","0.04","794.7","0.8","293","","293.15","","","","","","","","","6","P -1","-P 1","2","","N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide","","- C12 H8 F3 N5 O3 S -","- C12 H8 F3 N5 O3 S -","- C24 H16 F6 N10 O6 S2 -","2","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.2143","0.1602","","","0.363","0.3769","","","","","","2.269","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243947","5.96","0.09","7.09","0.14","21.59","0.15","90","","90","","90","","912","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1455","0.1363","","","0.318","0.3235","","","","","","1.116","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243948","5.177","0.002","10.691","0.005","15.272","0.007","90","","90","","90","","845.3","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1663","0.1194","","","0.3194","0.3469","","","","","","1.156","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243949","7.344","0.005","9.645","0.006","12.087","0.007","90","","97.37","0.05","90","","849.1","0.9","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-hydroxyphenyl)acetamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1471","0.1202","","","0.3152","0.3394","","","","","","1.074","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243950","26.34","0.1","7.03","0.1","14.16","0.16","90","","90","","90","","2622","5","293","","293","","","","","","","","","2","C m c e","-C 2ac 2","64","","5,6,11,12-tetraphenyltetracene","","- C42 H28 -","- C42 H28 -","- C168 H112 -","4","0.25","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1178","0.092","","","0.2275","0.2452","","","","","","1.111","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243951","9.25","0.12","19.99","0.19","9.66","0.1","90","","111.6","0.8","90","","1661","3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Fe N10 -","- C42 H28 Fe N10 -","- C84 H56 Fe2 N20 -","2","0.5","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1773","0.1659","","","0.3547","0.3604","","","","","","1.276","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243952","8.1229","0.0002","3.9138","0.0001","15.0718","0.0004","90","","92.013","0.002","90","","478.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 Cl5 I -","- C6 Cl5 I -","- C12 Cl10 I2 -","2","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.028","0.026","","","0.0663","0.0674","","","","","","1.112","","","","has coordinates,has disorder","271828","2022-01-06","21:12:43",""
"7243953","3.9516","0.0001","11.1045","0.0002","12.2703","0.0003","112.085","0.002","91.11","0.002","96.392","0.002","494.72","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","- C18 H8 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0268","0.0252","","","0.0633","0.0643","","","","","","1.075","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243954","3.9144","0.0001","10.6909","0.0001","12.4925","0.0002","111.51","0.001","93.205","0.001","91.807","0.001","484.858","0.016","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","- C16 H8 Cl5 I N4 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0751","0.0758","","","","","","1.076","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243955","3.9746","0.0001","10.7984","0.0002","12.4426","0.0003","111.056","0.002","93.327","0.002","93.491","0.002","495.61","0.02","290","0.1","290","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","- C18 H10 Cl5 I N2 -","1","0.5","","Shapiro, Nicole M.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Iodoperchlorobenzene acts as a dual halogen-bond donor to template a [2 + 2] cycloaddition reaction within an organic co-crystal","CrystEngComm","2021","23","47","8265","8268","10.1039/D1CE01194D","","x-ray","1.54184","CuKα","","0.0298","0.0281","","","0.0724","0.074","","","","","","1.056","","","","has coordinates,has disorder","271828","2022-01-06","21:12:44",""
"7243958","7.143","0.0012","9.3717","0.0015","13.017","0.002","85.852","0.002","75.893","0.002","89.95","0.002","842.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Mn2 N6 O14 -","- C34 H30 Mn2 N6 O14 -","- C34 H30 Mn2 N6 O14 -","1","0.5","","Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio","Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration","RSC Advances","2021","11","59","37403","37412","10.1039/D1RA08258B","","","0.71073","MoKα","","0.0913","0.0618","","","0.166","0.1838","","","","","","1.07","","","","has coordinates","270821","2021-11-23","02:18:35",""
"7243959","13.7121","0.0019","17.737","0.003","9.5694","0.0013","90","","93.303","0.002","90","","2323.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O10 Zn -","- C24 H16 N4 O10 Zn -","- C96 H64 N16 O40 Zn4 -","4","1","","Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio","Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration","RSC Advances","2021","11","59","37403","37412","10.1039/D1RA08258B","","","0.71073","MoKα","","0.0798","0.049","","","0.1168","0.1298","","","","","","1.047","","","","has coordinates","270821","2021-11-23","02:18:41",""
"7243960","8.5124","0.0009","9.503","0.001","12.0869","0.0013","75.923","0.002","84.467","0.002","80.995","0.002","934.96","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N3 O7 Zn -","- C17 H16 Cl N3 O7 Zn -","- C34 H32 Cl2 N6 O14 Zn2 -","2","1","","Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio","Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration","RSC Advances","2021","11","59","37403","37412","10.1039/D1RA08258B","","","0.71073","MoKα","","0.0287","0.0255","","","0.0708","0.0717","","","","","","1.127","","","","has coordinates","270821","2021-11-23","02:18:41",""
"7243961","7.1075","0.001","7.197","0.0012","7.635","0.001","68.754","0.007","76.414","0.007","69.876","0.008","339.06","0.09","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","4-Bromobenzo[c][1,2,5]thiadiazole","4-Bromobenzo[c][1,2,5]thiadiazole","","- C6 H3 Br N2 S -","- C6 H3 Br N2 S -","- C12 H6 Br2 N4 S2 -","2","1","","Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C.","Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers.","Physical chemistry chemical physics : PCCP","2021","","","","","10.1039/d1cp04603a","","","1.54184","CuKα","","0.0277","0.0265","","","0.0694","0.0769","","","","","","1.133","","","","has coordinates","270847","2021-11-24","01:55:28",""
"7243962","3.8786","0.0006","21.357","0.002","13.401","0.002","90","","96.283","0.01","90","","1103.4","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","EDOT-BTD","4-(3,4-Ethylenedioxythiophen-2-yl)benzo[c][1,2,5]thiadiazole","","- C12 H8 N2 O2 S2 -","- C12 H8 N2 O2 S2 -","- C48 H32 N8 O8 S8 -","4","1","","Anderson, Trent E.; Culver, Evan W.; Badía-Domínguez, Irene; Wilcox, Wyatt D.; Buysse, Claire E.; Ruiz Delgado, M. Carmen; Rasmussen, Seth C.","Probing the nature of donor-acceptor effects in conjugated materials: a joint experimental and computational study of model conjugated oligomers.","Physical chemistry chemical physics : PCCP","2021","","","","","10.1039/d1cp04603a","","","1.54178","CuKα","","0.1251","0.0817","","","0.1948","0.2239","","","","","","1.019","","","","has coordinates","270847","2021-11-24","01:55:29",""
"7243963","18.6682","0.0012","15.9603","0.0013","8.1346","0.0005","90","","94.651","0.006","90","","2415.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Br2 N5 Pd -","- C24 H19 Br2 N5 Pd -","- C96 H76 Br8 N20 Pd4 -","4","0.5","","Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati","C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes","RSC Advances","2021","11","60","37684","37699","10.1039/D1RA07231E","","x-ray","0.71073","MoKα","","0.0889","0.0416","","","0.0579","0.0705","","","","","","1.012","","","","has coordinates","270848","2021-11-24","02:19:14",""
"7243964","7.4786","0.0009","11.0996","0.0011","11.7959","0.0016","90.731","0.01","100.478","0.01","106.482","0.01","921.1","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N4 Pd -","- C17 H16 Br2 N4 Pd -","- C34 H32 Br4 N8 Pd2 -","2","1","","Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati","C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes","RSC Advances","2021","11","60","37684","37699","10.1039/D1RA07231E","","x-ray","0.71073","MoKα","","0.1117","0.0637","","","0.2259","0.2555","","","","","","1.065","","","","has coordinates","270848","2021-11-24","02:19:15",""
"7243965","10.0563","0.0005","14.191","0.0009","14.2442","0.0009","72.709","0.005","72.523","0.005","72.84","0.005","1803.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br2 N3 Pd -","- C16 H17 Br2 N3 Pd -","- C64 H68 Br8 N12 Pd4 -","4","2","","Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati","C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes","RSC Advances","2021","11","60","37684","37699","10.1039/D1RA07231E","","x-ray","0.71073","MoKα","","0.1052","0.0488","","","0.0639","0.0792","","","","","","1.003","","","","has coordinates,has disorder","270848","2021-11-24","02:19:15",""
"7243967","8.8611","0.0004","10.6837","0.0005","19.3949","0.001","74.511","0.002","87.898","0.002","89.558","0.002","1768.22","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Cl2 N3 O3 Ru -","- C38 H43 Cl2 N3 O3 Ru -","- C76 H86 Cl4 N6 O6 Ru2 -","2","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","1.54178","CuKα","","0.0282","0.0266","","","0.0675","0.0688","","","","","","1.089","","","","has coordinates","270872","2021-11-25","02:16:09",""
"7243968","28.642","0.0005","28.642","0.0005","24.4463","0.0009","90","","90","","120","","17368","0.8","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C37 H43 Cl2 N3 O3 Ru S -","- C37 H43 Cl2 N3 O3 Ru S -","- C666 H774 Cl36 N54 O54 Ru18 S18 -","18","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","1.54178","CuKα","","0.0681","0.0534","","","0.1367","0.1513","","","","","","1.035","","","","has coordinates","270872","2021-11-25","02:16:09",""
"7243969","12.038","0.01","14.886","0.012","24.18","0.019","90","","91.36","0.03","90","","4332","6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 Cl4 N3 O4 Ru S -","- C44 H49 Cl4 N3 O4 Ru S -","- C176 H196 Cl16 N12 O16 Ru4 S4 -","4","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","0.71075","MoKα","","0.1814","0.0772","","","0.1689","0.2141","","","","","","0.957","","","","has coordinates","270872","2021-11-25","02:16:10",""
"7243979","7.78804","0.00005","10.18953","0.00007","19.93923","0.00014","90","","90","","90","","1582.31","0.019","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl N2 O -","- C16 H19 Cl N2 O -","- C64 H76 Cl4 N8 O4 -","4","1","","Fauziev, Ruslan V.; Ivanov, Roman E.; Kuchurov, Ilya V.; Zlotin, Sergei G.","A carbon dioxide-promoted three-component Strecker reaction","Green Chemistry","2021","23","24","10137","10144","10.1039/D1GC03161A","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0639","0.0642","","","","","","1.072","","","","has coordinates","271847","2022-01-06","21:30:08",""
"7243982","12.2095","0.0006","12.2629","0.0006","12.3037","0.0006","90","","118.746","0.0017","90","","1615.14","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F3 N2 O -","- C19 H15 F3 N2 O -","- C76 H60 F12 N8 O4 -","4","1","","Li, Hong; Peng, Xiangjun; Nie, Liang; Zhou, Lin; Yang, Ming; Li, Fan; Hu, Jian; Yao, Zhiyang; Liu, Liangxian","Graphene oxide-catalyzed trifluoromethylation of alkynes with quinoxalinones and Langlois' reagent","RSC Advances","2021","11","61","38667","38673","10.1039/D1RA07014B","","","0.71076","MoKα","","0.113","0.0713","","","0.1331","0.1474","","","","","","1.097","","","","has coordinates","270972","2021-12-02","02:17:16",""
"7243983","9.144","0.002","14.87","0.003","4.5573","0.001","90","","90","","90","","619.7","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","ETOH1","","- C5 H4 F N3 O2 -","- C5 H4 F N3 O2 -","- C20 H16 F4 N12 O8 -","4","1","","Tiyasakulchai, Thanat; Charoensetakul, Netnapa; Khamkhenshorngphanuch, Thitiphong; Thongpanchang, Chawanee; Srikun, Onsiri; Yuthavong, Yongyuth; Srimongkolpithak, Nitipol","Scalable synthesis of favipiravir via conventional and continuous flow chemistry","RSC Advances","2021","11","61","38691","38693","10.1039/D1RA06963B","","x-ray","1.54178","CuKα","K-L~3~","0.0363","0.0362","","","0.1059","0.106","","","","","","1.496","","","","has coordinates","270973","2021-12-02","02:17:44",""
"7243984","18.116","0.007","5.561","0.002","18.91","0.007","90","","112.394","0.01","90","","1761.4","1.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F O4 -","- C22 H17 F O4 -","- C88 H68 F4 O16 -","4","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1469","0.0561","","","0.0946","0.1191","","","","","","0.959","","","","has coordinates","270974","2021-12-02","02:19:07",""
"7243985","18.038","0.004","5.5757","0.0014","19.59","0.005","90","","111.044","0.006","90","","1838.8","0.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1282","0.0587","","","0.1182","0.1409","","","","","","0.978","","","","has coordinates","270974","2021-12-02","02:19:10",""
"7243986","18.073","0.005","5.5804","0.0017","19.888","0.006","90","","109.898","0.008","90","","1886","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br O4 -","- C22 H17 Br O4 -","- C88 H68 Br4 O16 -","4","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1029","0.0502","","","0.0878","0.1052","","","","","","0.971","","","","has coordinates","270974","2021-12-02","02:19:13",""
"7243987","31.098","0.004","8.4741","0.0011","14.651","0.002","90","","97.962","0.004","90","","3823.7","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C184 H136 N8 O32 -","8","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1196","0.0741","","","0.1662","0.1901","","","","","","1.047","","","","has coordinates","270974","2021-12-02","02:19:16",""
"7243988","8.833","0.013","6.042","0.011","16.23","0.03","90","","103.32","0.03","90","","843","3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C40 H32 O8 S2 -","2","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1624","0.0822","","","0.1383","0.1726","","","","","","0.983","","","","has coordinates","270974","2021-12-02","02:19:26",""
"7243989","11.4044","0.0013","5.5305","0.0007","15.6417","0.0018","90","","95.178","0.007","90","","982.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C46 H34 N2 O8 -","2","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1724","0.0882","","","0.1266","0.1488","","","","","","1.087","","","","has coordinates","270974","2021-12-02","02:19:29",""
"7244000","10.7762","0.0009","7.7571","0.0007","35.821","0.003","90","","90","","90","","2994.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 Fe N S -","- C19 H15 Fe N S -","- C152 H120 Fe8 N8 S8 -","8","1","","Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip","Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker","RSC Advances","2021","11","61","38804","38813","10.1039/D1RA08186A","","","0.71073","MoKα","","0.0761","0.0473","","","0.0862","0.094","","","","","","1.087","","","","has coordinates","271103","2021-12-04","02:18:33",""
"7244001","10.696","0.004","7.473","0.002","21.224","0.007","90","","94.182","0.013","90","","1691.9","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 Fe N -","- C23 H17 Fe N -","- C92 H68 Fe4 N4 -","4","2","","Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip","Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker","RSC Advances","2021","11","61","38804","38813","10.1039/D1RA08186A","","","0.71073","MoKα","","0.0601","0.0396","","","0.0694","0.0749","","","","","","1.041","","","","has coordinates","271103","2021-12-04","02:18:33",""
"7244002","5.8675","0.0005","20.1101","0.0016","18.3448","0.0015","90","","98.579","0.004","90","","2140.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cu Fe N2 O5 -","- C24 H22 Cu Fe N2 O5 -","- C96 H88 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.0519","0.0408","","","0.0959","0.1002","","","","","","1.093","","","","has coordinates","271117","2021-12-05","01:08:58",""
"7244003","6.34","0.03","15.31","0.05","23.14","0.09","90","","84.1","0.3","90","","2234","16","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Co Fe N2 O4.48 -","- C23.4 H22 Co Fe N2 O3.277 -","- C93.6 H88 Co4 Fe4 N8 O13.108 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","powder diffraction","","1.54186","CuKα","","","","","","","","","","1.2529","","","","","","","has coordinates","271117","2021-12-05","01:09:19",""
"7244004","5.707","0.01","25.67","0.05","14.37","0.03","90","","97.07","0.05","90","","2089","7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cu Fe N2 O5 -","- C24 H18 Cu Fe N2 O5 -","- C96 H72 Cu4 Fe4 N8 O20 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.1057","0.0599","","","0.1285","0.1501","","","","","","1.135","","","","has coordinates","271117","2021-12-05","01:09:22",""
"7244005","5.9086","0.0003","16.8542","0.0008","21.1889","0.0012","90","","92.684","0.005","90","","2107.78","0.19","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Cd Fe N2 O4.5 -","- C24 H21 Cd Fe N2 O4.5 -","- C96 H84 Cd4 Fe4 N8 O18 -","4","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0354","0.0315","","","0.0782","0.0799","","","","","","1.061","","","","has coordinates,has disorder","271117","2021-12-05","01:09:23",""
"7244006","10.2015","0.0008","12.2977","0.0006","13.0982","0.0005","105.694","0.004","92.706","0.005","93.349","0.005","1575.88","0.16","99.95","0.1","99.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Fe N2 O5 Zn -","- C38 H32 Fe N2 O5 Zn -","- C76 H64 Fe2 N4 O10 Zn2 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.5418","CuKα","","0.0385","0.0368","","","0.0993","0.1013","","","","","","1.048","","","","has coordinates","271117","2021-12-05","01:09:25",""
"7244007","23.977","0.011","12.069","0.005","8.344","0.004","90","","90","","90","","2414.6","1.9","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H24 Co Fe N2 O6 -","- C24 H24 Co Fe N2 O6 -","- C96 H96 Co4 Fe4 N8 O24 -","4","0.5","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.7107","MoKα","","0.0912","0.0605","","","0.1042","0.1181","","","","","","1.141","","","","has coordinates","271117","2021-12-05","01:09:28",""
"7244008","10.241","0.006","12.46","0.009","13.234","0.009","106.27","0.03","91.968","0.017","93.26","0.02","1616.2","1.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Co Fe N2 O5 -","- C38 H32 Co Fe N2 O5 -","- C76 H64 Co2 Fe2 N4 O10 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","0.71073","MoKα","","0.2261","0.0925","","","0.1296","0.1775","","","","","","1.073","","","","has coordinates","271117","2021-12-05","01:09:31",""
"7244009","10.7394","0.0004","12.0118","0.0005","12.6687","0.0003","77.694","0.003","78.073","0.003","79.98","0.003","1547.74","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu Fe N2 O4 -","- C38 H30 Cu Fe N2 O4 -","- C76 H60 Cu2 Fe2 N4 O8 -","2","1","","Ospina-Castro, María L.; Ávila, Edward E.; Briceño, Alexander; Reiber, Andreas; Pacheco-Londoño, Leonardo C.; Galan-Freyle, Nataly J.","Self-assembly and supramolecular isomerism in 1D metal–organometallic networks based on transition-metal assemblies from 1,1′-ferrocene-dicarboxylic acid and ancillary nitrogen heterocycle ligands","CrystEngComm","2021","23","46","8198","8208","10.1039/D1CE01204E","","","1.54184","CuKα","","0.0348","0.0324","","","0.0854","0.0873","","","","","","1.063","","","","has coordinates,has disorder","271117","2021-12-05","01:09:32",""
"7244010","10.6","0.04","6.32","0.02","9.48","0.03","90","","96.06","0.03","90","","632","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B N -","- C4 H12 B N -","- C16 H48 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.096","0.071","","","0.1778","0.1964","","","","","","1.075","","","","has coordinates,has disorder","271137","2021-12-06","22:27:48",""
"7244011","7.078","0.007","9.187","0.009","18.233","0.018","90","","90","","90","","1186","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H12 B N -","- C4 H12 B N -","- C32 H96 B8 N8 -","8","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.1547","0.0853","","","0.1888","0.2279","","","","","","1.079","","","","has coordinates","271137","2021-12-06","22:27:49",""
"7244012","9.5116","0.0014","12.6484","0.0018","6.5253","0.0009","90","","90","","90","","785.04","0.19","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B N -","- C6 H16 B N -","- C24 H64 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.0338","0.0325","","","0.0899","0.0912","","","","","","1.088","","","","has coordinates","271137","2021-12-06","22:27:49",""
"7244013","8.519","0.003","6.85","0.002","8.309","0.003","90","","90","","90","","484.9","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 H10 B N -","- C3 H10 B N -","- C12 H40 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.0599","0.0479","","","0.1187","0.1291","","","","","","1.052","","","","has coordinates,has disorder","271137","2021-12-06","22:27:49",""
"7244032","10.9618","0.0016","28.137","0.003","12.411","0.0018","90","","107.366","0.003","90","","3653.5","0.8","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl2 N5 O2 P Rh -","- C41 H31 Cl2 N5 O2 P Rh -","- C164 H124 Cl8 N20 O8 P4 Rh4 -","4","1","","Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst","RSC Advances","2021","11","62","39450","39454","10.1039/D1RA08596D","","","0.71075","MoKα","","0.071","0.0493","","","0.1238","0.1333","","","","","","0.843","","","","has coordinates","271316","2021-12-10","02:01:35",""
"7244033","8.823","0.001","11.1353","0.0008","12.6467","0.0012","64.079","0.008","77.813","0.011","71.596","0.001","1056.45","0.19","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl N5 O2 Rh -","- C24 H19 Cl N5 O2 Rh -","- C48 H38 Cl2 N10 O4 Rh2 -","2","1","","Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst","RSC Advances","2021","11","62","39450","39454","10.1039/D1RA08596D","","","0.71075","MoKα","","0.0506","0.0441","","","0.0984","0.1004","","","","","","0.92","","","","has coordinates","271316","2021-12-10","02:01:37",""
"7244037","21.52","0.05","5.086","0.012","13.68","0.03","90","","90","","90","","1497","6","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Malik, Manzoor Ahmad; Raza, Md Kausar; Mohammed, Arif; Wani, Mohmmad Younus; Al-Bogami, Abdullah Saad; Hashmi, Athar Adil","Unravelling the anticancer potential of a square planar copper complex: toward non-platinum chemotherapy","RSC Advances","2021","11","62","39349","39361","10.1039/D1RA06227A","","","0.71073","MoKα","","0.0336","0.0293","","","0.071","0.0754","","","","","","0.7678","","","","has coordinates","271338","2021-12-11","02:03:58",""
"7244049","15.6191","0.0001","17.9773","0.0002","15.7336","0.0001","90","","97.817","0.001","90","","4376.77","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 F6 Ir N11 O P -","- C44 H27 F6 Ir N11 P -","- C176 H108 F24 Ir4 N44 P4 -","4","1","","Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A.","Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies","RSC Advances","2021","11","63","39718","39727","10.1039/D1RA07213G","","x-ray","0.71075","MoKα","","0.0356","0.0298","","","0.0697","0.0716","","","","","","1.058","","","","has coordinates","271376","2021-12-14","02:08:09",""
"7244050","20.0555","0.0005","17.4269","0.0003","29.5696","0.0014","90","","108.009","0.004","90","","9828.4","0.6","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50.5 H41 Cl F6 Ir N10 P -","- C50 H40 F6 Ir N10 P -","- C400 H320 F48 Ir8 N80 P8 -","8","1","","Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A.","Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies","RSC Advances","2021","11","63","39718","39727","10.1039/D1RA07213G","","x-ray","1.54178","CuKα","","0.0729","0.0493","","","0.1284","0.1436","","","","","","1.033","","","","has coordinates","271376","2021-12-14","02:08:12",""
"7244054","5.46724","0.00004","21.5006","0.00015","23.19943","0.00016","90","","90","","90","","2727.07","0.03","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 N3 O4 P -","- C30 H40 N3 O4 P -","- C120 H160 N12 O16 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Surowiec, Kazimierz; Unruh, Daniel; Li, Guigen","Asymmetric [4 + 2] cycloaddition synthesis of 4H-chromene derivatives facilitated by group-assisted-purification (GAP) chemistry","RSC Advances","2021","11","63","39790","39796","10.1039/D1RA08323F","","x-ray","1.54184","CuKα","","0.0272","0.026","","","0.067","0.0676","","","","","","1.049","","","","has coordinates","271433","2021-12-15","02:18:54",""
"7244079","9.427","0.002","11.348","0.003","11.761","0.005","112.635","0.006","97.722","0.006","106.198","0.004","1072.9","0.6","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","9,10-di-p-tolyl-1,2,3,4,5,6,7,8-octahydroanthracene","","- C28 H30 -","- C28 H30 -","- C56 H60 -","2","1","","Han, Bo; Zhang, Miaomiao; Jiao, Hongmei; Ma, Haojie; Wang, Jijiang; Zhang, Yuqi","Ligand-enabled and magnesium-activated hydrogenation with earth-abundant cobalt catalysts","RSC Advances","2021","11","63","39934","39939","10.1039/D1RA07266H","","","0.71073","MoKα","","0.1053","0.0716","","","0.2051","0.2378","","","","","","1.034","","","","has coordinates","271465","2021-12-16","02:20:06",""
"7244080","22.9722","0.0006","13.0888","0.0003","5.093","0.0001","90","","90","","90","","1531.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 Cl2 N O5 -","- C16 H11 Cl2 N O5 -","- C64 H44 Cl8 N4 O20 -","4","1","","Manojkumar, Palnati; Harilal,; Mahipal, Varukolu; Suresh, Gangadhari; Venkatesh, Nampally; Ramesh, Macha; Parthasarathy, Tigulla","Exploring the charge transfer dynamics of hydrogen bonded crystals of 2-methyl-8-quinolinol and chloranilic acid: synthesis, spectrophotometric, single-crystal, DFT/PCM analysis, antimicrobial, and DNA binding studies","RSC Advances","2021","11","63","39994","40010","10.1039/D1RA07658B","","","0.71073","MoKα","","0.0493","0.0408","","","0.1043","0.1128","","","","","","1.007","","","","has coordinates","271490","2021-12-17","02:09:59",""
"7244081","10.7361","0.0002","12.0568","0.0002","12.4567","0.0002","66.295","0.002","81.685","0.002","82.104","0.001","1455.27","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H42 Cl4 Cu2 N10 O20 S2 -","- C50 H42 Cl4 Cu2 N10 O20 S2 -","- C50 H42 Cl4 Cu2 N10 O20 S2 -","1","0.5","","Zeng, Zhenfang; Cai, Jiehui; Li, Fuyan; Weng, Yanying; Huang, Qiuping; Yang, Honglan; Huang, Qiuchan; Wei, Youhuan","Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand","RSC Advances","2021","11","63","40040","40050","10.1039/D1RA05798G","","","0.71073","MoKα","","0.0333","0.0293","","","0.0954","0.1001","","","","","","0.82","","","","has coordinates","271491","2021-12-17","02:10:32",""
"7244082","18.402","0.0003","16.2054","0.0003","18.6394","0.0003","90","","97.992","0.002","90","","5504.5","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cu2 N10 O20 S2 -","- C50 H46 Cu2 N10 O20 S2 -","- C200 H184 Cu8 N40 O80 S8 -","4","0.5","","Zeng, Zhenfang; Cai, Jiehui; Li, Fuyan; Weng, Yanying; Huang, Qiuping; Yang, Honglan; Huang, Qiuchan; Wei, Youhuan","Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand","RSC Advances","2021","11","63","40040","40050","10.1039/D1RA05798G","","","0.71073","MoKα","","0.0438","0.0412","","","0.125","0.1274","","","","","","1.08","","","","has coordinates","271491","2021-12-17","02:10:33",""
"7244083","5.72904","0.00003","5.72904","0.00003","28.1637","0.0003","90","","90","","120","","800.542","0.01","298","","298","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","ordered hexagonal perovskite","- Ba4 Mn2.9 O12 Sn1.1 -","- Ba4 Mn2.9 O12 Sn1.1 -","- Ba12 Mn8.7 O36 Sn3.3 -","3","0.0833333","","Wu, Junkun; Yan, Xiaohui; Guo, Wenbin; Wang, Xiaoming; Yin, Congling; Kuang, Xiaojun","Molecule-like cluster magnetism and cationic order in the new hexagonal perovskite Ba4Sn1.1Mn2.9O12","RSC Advances","2021","11","63","40235","40242","10.1039/D1RA07841K","","","1.5418","","","","","","","","","","","","","","","","","","has coordinates","288185","2023-12-08","14:55:26",""
"7244084","9.7583","0.0003","21.2841","0.0007","13.5807","0.0004","90","","92.287","0.002","90","","2818.42","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H56 N4 O8 S2 -","- C66 H56 N4 O8 S2 -","- C132 H112 N8 O16 S4 -","2","1","","Gao, Zhenzhen; Xie, Lei; Ji, Lusha; Ma, Xin; Li, Xiaojing; Liu, Honglei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] annulation of β-sulfonamido-substituted enones with trans-α-cyano-α,β-unsaturated ketones for the synthesis of highly substituted pyrrolidines","RSC Advances","2021","11","63","40136","40139","10.1039/D1RA07881J","","","1.54184","CuKα","","0.0438","0.0378","","","0.0993","0.11","","","","","","1.056","","","","has coordinates","271513","2021-12-18","02:07:07",""
"7244092","8.9979","0.0011","9.4469","0.0011","14.0932","0.0017","90","","90","","90","","1198","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Zhao, Ying-Chao; Zhang, Shan-Shan; Chen, Rongxiang; Sun, Aili","Facile synthesis of O-acylhydroxamates via reaction of oxime chlorides with carboxylic acids","RSC Advances","2021","11","63","40193","40196","10.1039/D1RA06860A","","","0.71073","MoKα","","0.0384","0.0326","","","0.094","0.0983","","","","","","0.979","","","","has coordinates","271556","2021-12-21","02:14:20",""
"7244093","20.945","0.004","8.7506","0.0013","21.976","0.004","90","","116.49","0.02","90","","3604.9","1.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C160 H144 N16 O40 -","8","2","","Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish","Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines.","RSC advances","2021","12","1","104","117","10.1039/d1ra06114c","","x-ray","0.71073","MoKα","","0.0725","0.0384","","","0.0721","0.0764","","","","","","0.829","","","","has coordinates,has disorder","275070","2022-05-05","20:56:14",""
"7244094","10.9199","0.0012","20.1342","0.0016","8.5465","0.0009","90","","107.303","0.012","90","","1794","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Cossío, Fernando P; de Cózar, Abel; Sierra, Miguel A.; Casarrubios, Luis; Muntaner, Jaime G.; Banik, Bimal K.; Bandyopadhyay, Debasish","Role of imine isomerization in the stereocontrol of the Staudinger reaction between ketenes and imines.","RSC advances","2021","12","1","104","117","10.1039/d1ra06114c","","x-ray","0.71073","MoKα","","0.0735","0.0421","","","0.0851","0.0906","","","","","","0.834","","","","has coordinates,has disorder","275070","2022-05-05","20:56:14",""
"7244106","13.0381","0.0003","20.5925","0.0007","7.15692","0.00019","90","","91.598","0.003","90","","1920.79","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H21 B Cl N3 O2 -","- C20 H21 B Cl N3 O2 -","- C80 H84 B4 Cl4 N12 O8 -","4","1","","Zheng, Huitao; Xiong, Honggang; Su, Chaobo; Cao, Hua; Yao, Huagang; Liu, Xiang","Photoinduced successive oxidative ring-opening and borylation of indolizines with NHC-boranes.","RSC advances","2021","12","1","470","474","10.1039/d1ra08072e","","x-ray","1.54184","CuKα","","0.0361","0.0346","","","0.0857","0.088","","","","","","1.073","","","","has coordinates","275073","2022-05-05","20:56:50",""
"7244108","9.838","0.002","10.401","0.002","12.2553","0.0017","102.291","0.016","100.426","0.016","103.17","0.02","1157.8","0.4","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O6 -","- C27 H22 N2 O6 -","- C54 H44 N4 O12 -","2","1","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.1247","0.0672","","","0.154","0.2013","","","","","","1.067","","","","has coordinates","275072","2022-05-05","20:56:30",""
"7244109","11.4672","0.0012","14.0604","0.0014","15.6426","0.0015","99.666","0.008","96.992","0.008","94.581","0.008","2454.8","0.4","295","2","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C120 H84 N12 O20 -","4","2","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.0984","0.0558","","","0.1314","0.1688","","","","","","1.02","","","","has coordinates,has disorder","275072","2022-05-05","20:56:33",""
"7244110","11.1868","0.0016","11.4255","0.0018","12.2739","0.0016","95.263","0.012","107.966","0.012","103.507","0.013","1428.1","0.4","295.15","","295.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H28 N2 O8 -","- C31 H28 N2 O8 -","- C62 H56 N4 O16 -","2","1","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.087","0.0592","","","0.1542","0.1804","","","","","","1.045","","","","has coordinates","275072","2022-05-05","20:56:42",""
"7244111","8.7697","0.0018","19.206","0.005","14.48","0.003","90","","94.7","0.02","90","","2430.7","1","295","2","295.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N3 O5 -","- C30 H21 N3 O5 -","- C120 H84 N12 O20 -","4","1","","Galeev, Andrew R.; Moroz, Anna A.; Dmitriev, Maksim V.; Maslivets, Andrey N.","Cycloaddition of Huisgen 1,4-dipoles: synthesis and rapid epimerization of functionalized spiropyrido[2,1-<i>b</i>][1,3]oxazine-pyrroles and related products.","RSC advances","2021","12","1","578","587","10.1039/d1ra08384h","","x-ray","0.71073","MoKα","","0.136","0.0652","","","0.1616","0.2173","","","","","","1.019","","","","has coordinates","275072","2022-05-05","20:56:42",""
"7244115","8.6661","0.0009","11.0426","0.0008","12.2572","0.0012","108.672","0.007","102.099","0.008","108.033","0.008","992.66","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-[2-(2,4-Dihydroxy-benzylidene-hydrazinocarbonyl)-phenyl]-benzamidemethanol solvate","<i>N</i>-[2-(2,4-Dihydroxy-benzylidene-hydrazinocarbonyl)-phenyl]-benzamidemethanol solvate","","- C22 H21 N3 O5 -","- C22 H21 N3 O5 -","- C44 H42 N6 O10 -","2","1","","Kausar, Naghmana; Murtaza, Shahzad; Arshad, Muhammad Nadeem; Zaib Saleem, Rahman Shah; Asiri, Abdullah M.; Kausar, Samia; Altaf, Ataf Ali; Tatheer, Adina; Elnaggar, Ashraf Y.; El-Bahy, Salah M","Design, synthesis, crystal structure, <i>in vitro</i> cytotoxicity evaluation, density functional theory calculations and docking studies of 2-(benzamido) benzohydrazide derivatives as potent AChE and BChE inhibitors.","RSC advances","2021","12","1","154","167","10.1039/d1ra07221h","","","0.7107","MoKα","","0.1014","0.056","","","0.1203","0.1462","","","","","","1.036","","","","has coordinates","275071","2022-05-05","20:56:21",""
"7244116","8.8132","0.0012","18.052","0.003","10.3523","0.0016","90","","102.448","0.005","90","","1608.3","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Choi, Seoung-Mi; Kim, Kyeong Do; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun","Pd-catalyzed [3 + 2] cycloaddition of cyclic ketimines and trimethylenemethanes toward <i>N</i>-fused pyrrolidines bearing a quaternary carbon.","RSC advances","2021","12","2","785","789","10.1039/d1ra08579d","","","0.71073","MoKα","","0.0496","0.0406","","","0.1055","0.1113","","","","","","1.061","","","","has coordinates","275074","2022-05-05","20:57:02",""
"7244136","10.8022","0.0018","14.266","0.002","14.671","0.002","90","","101.96","0.005","90","","2211.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cd Cl2 N4 O4 -","- C17 H16 Cd Cl2 N4 O4 -","- C68 H64 Cd4 Cl8 N16 O16 -","4","1","","Nguyen, Anh Van; Vu, Anh Thi Ngoc; Bazan, Liya V.; Galeev, Ravil T.; Utenyshev, Andrey N.; Markova, Ekaterina B.; Le, Van Thuan; Kovalchukova, Olga V.","Synthesis, characterization, and sorption activity of novel azo-colorants derived from phloroglucinol and antipyrine and their metal complexes.","RSC advances","2021","12","2","888","898","10.1039/d1ra07254d","","","0.71073","MoKα","","0.0794","0.0468","","","0.0879","0.1004","","","","","","1.039","","","","has coordinates","275075","2022-05-05","20:57:12",""
"7245739","8.9833","0.0006","4.2238","0.0002","9.4734","0.0006","90","","97.508","0.006","90","","356.37","0.04","100","","100","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Propanal","- C3 H6 O -","- C3 H6 O -","- C12 H24 O4 -","4","1","","Maynard-Casely, Helen E; Yevstigneyev, Nikita S.; Duyker, Samuel G.; Ennis, Courtney","The crystal structure, thermal expansion and far-IR spectrum of propanal (CH<sub>3</sub>CH<sub>2</sub>CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques.","Physical chemistry chemical physics : PCCP","2021","24","1","122","128","10.1039/d1cp04477j","","","0.709406","Mokα","","","","","","","","","","","","","","","","","has coordinates","278853","2022-10-28","07:32:06",""
"7246217","6.6561","0.0007","11.5249","0.0015","6.6579","0.0006","90","","109.515","0.008","90","","481.39","0.09","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Cu2 S3 Sn -","- Cu2 S3 Sn -","- Cu8 S12 Sn4 -","4","1","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.","'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'","Journal of Materials Chemistry A","2021","9","17","10812","10826","10.1039/d1ta01615f","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","0.3321","","","","","","","","has coordinates","280692","2023-01-31","09:08:14",""
"7246218","12.058","0.0004","5.40629","0.00017","8.5026","0.0003","90","","98.163","0.002","90","","548.66","0.03","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- Cu5 S7 Sn2 -","- Cu5 S7 Sn2 -","- Cu10 S14 Sn4 -","2","0.5","","Pavan Kumar, V.; Lemoine, P.; Carnevali, V.; Guelou, G.; Lebedev, O.I.; Boullay, P.; Raveau, B.; Al Rahal Al Orabi, R.; Fornari, M.; Prestipino, C.; Menut, D.; Candolfi, C.; Malaman, B.; Juraszek, J.; Guilmeau, E.","'Ordered sphalerite derivative Cu5Sn2S7: a degenerate semiconductor with high carrier mobility in the Cu-Sn-S diagram'","Journal of Materials Chemistry A","2021","9","17","10812","10826","10.1039/d1ta01615f","powder diffraction","","0.72733","MARSbeamline,SOLEIL","","","","","","","","","3.3425","","","","","","","","has coordinates","280693","2023-01-31","09:09:31",""
"7705747","11.7551","0.0002","17.493","0.0004","22.9633","0.0004","110.196","0.001","97.478","0.001","99.273","0.001","4284.88","0.15","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C90 H83 F12 N4 O4.5 P6 Ru2 -","- C90 H83 F12 N4 O4.5 P6 Ru2 -","- C180 H166 F24 N8 O9 P12 Ru4 -","2","1","","Graminha, Angelica E.; Honorato, João; Correa, Rodrigo S.; Cominetti, Marcia R.; Menezes, Antônio C S; Batista, Alzir A.","A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton and inhibits migration, invasion and adhesion of triple negative breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","323","335","10.1039/d0dt03490h","","x-ray","0.71073","MoKα","","0.0931","0.0597","","","0.1599","0.1815","","","","","","1.023","","","","has coordinates","261647","2021-02-04","23:09:42",""
"7705748","18.644","0.0006","31.025","0.0008","19.489","0.0007","90","","110.134","0.001","90","","10584.1","0.6","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C51 H47.5 F6 N2 O8.25 P3 Ru -","- C51 H47.5 F6 N2 O8.25 P3 Ru -","- C408 H380 F48 N16 O66 P24 Ru8 -","8","2","","Graminha, Angelica E.; Honorato, João; Correa, Rodrigo S.; Cominetti, Marcia R.; Menezes, Antônio C S; Batista, Alzir A.","A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton and inhibits migration, invasion and adhesion of triple negative breast tumor cells.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","323","335","10.1039/d0dt03490h","","x-ray","0.71073","MoKα","","0.1657","0.078","","","0.1946","0.2515","","","","","","0.967","","","","has coordinates,has disorder","261647","2021-02-04","23:09:42",""
"7705752","32.453","0.006","10.493","0.002","20.097","0.004","90","","113.66","0.03","90","","6268","3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H37 Cl Cu N2 O3 -","- C30 H37 Cl Cu N2 O3 -","- C240 H296 Cl8 Cu8 N16 O24 -","8","2","","Ribeiro, Nádia; Bulut, Ipek; Cevatemre, Buse; Teixeira, Carlos; Yildizhan, Yasemin; André, Vânia; Adão, Pedro; Pessoa, João Costa; Acilan, Ceyda; Correia, Isabel","Cu(ii) and V(iv)O complexes with tri- or tetradentate ligands based on (2-hydroxybenzyl)-l-alanines reveal promising anticancer therapeutic potential.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","157","169","10.1039/d0dt03331f","","","0.71073","MoKα","","0.1034","0.0573","","","0.1173","0.1368","","","","","","0.956","","","","has coordinates","261639","2021-02-04","23:06:55",""
"7705753","7.6521","0.0006","12.0807","0.0009","14.3701","0.001","65.159","0.007","82.202","0.006","83.726","0.007","1192.33","0.17","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C24 H33 B F3 N2 O Rh -","- C24 H33 B F3 N2 O Rh -","- C48 H66 B2 F6 N4 O2 Rh2 -","2","1","","Srivastava, Ravi; Jakoobi, Martin; Thieuleux, Chloé; Quadrelli, Elsje Alessandra; Camp, Clément","A family of rhodium(i) NHC chelates featuring O-containing tethers for catalytic tandem alkene isomerization-hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","869","879","10.1039/d0dt03698f","","x-ray","0.71073","MoKα","","0.09","0.0631","","","0.1314","0.1665","","","","","","1.125","","","","has coordinates","261698","2021-02-04","23:20:21",""
"7705754","32.883","0.003","32.883","0.003","10.4799","0.0011","90","","90","","120","","9813.7","1.6","100.01","0.1","100","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H33 N2 O Rh -","- C24 H33 N2 O Rh -","- C432 H594 N36 O18 Rh18 -","18","1","","Srivastava, Ravi; Jakoobi, Martin; Thieuleux, Chloé; Quadrelli, Elsje Alessandra; Camp, Clément","A family of rhodium(i) NHC chelates featuring O-containing tethers for catalytic tandem alkene isomerization-hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","869","879","10.1039/d0dt03698f","","x-ray","0.71073","MoKα","","0.091","0.0753","","0.215","0.1854","0.215","","","","","","0.9704","","","","has coordinates","261698","2021-02-04","23:20:21",""
"7705755","41.765","0.007","7.8159","0.0006","24.836","0.004","90","","134.45","0.03","90","","5787","3","150.01","0.1","150.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H34 B F4 N2 O Rh -","- C24 H34 B F4 N2 O Rh -","- C192 H272 B8 F32 N16 O8 Rh8 -","8","1","","Srivastava, Ravi; Jakoobi, Martin; Thieuleux, Chloé; Quadrelli, Elsje Alessandra; Camp, Clément","A family of rhodium(i) NHC chelates featuring O-containing tethers for catalytic tandem alkene isomerization-hydrosilylation.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","869","879","10.1039/d0dt03698f","","x-ray","0.71073","MoKα","","0.0622","0.0533","","0.1115","0.0969","0.1115","","","","","","0.9663","","","","has coordinates","261698","2021-02-04","23:20:21",""
"7705770","17.9397","0.0005","14.5346","0.0004","8.819","0.0002","90","","91.8006","0.0013","90","","2298.39","0.1","180","2","180","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C20 H21 As Cu F6 N4 O P -","- C20 H21 As Cu F6 N4 O P -","- C80 H84 As4 Cu4 F24 N16 O4 P4 -","4","0.5","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0312","0.0261","","","0.0643","0.0673","","","","","","1.075","","","","has coordinates,has disorder","262662","2021-03-05","02:10:17",""
"7705771","11.1512","0.0004","17.0883","0.0006","18.9656","0.0006","90","","100.393","0.002","90","","3554.7","0.2","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 As2 Cl2 N6 Pt -","- C36 H36 As2 Cl2 N6 Pt -","- C144 H144 As8 Cl8 N24 Pt4 -","4","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0316","0.0266","","","0.0568","0.0584","","","","","","1.129","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705772","11.6321","0.0003","11.8492","0.0003","12.1214","0.0003","88.9504","0.0012","74.5037","0.0011","85.8931","0.0012","1605.84","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 As Cl4 N3 Ru -","- C29 H34 As Cl4 N3 Ru -","- C58 H68 As2 Cl8 N6 Ru2 -","2","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0419","0.0341","","","0.0838","0.0886","","","","","","1.064","","","","has coordinates,has disorder","262662","2021-03-05","02:10:18",""
"7705773","12.5295","0.0004","14.4095","0.0005","15.1592","0.0005","90","","96.375","0.002","90","","2719.98","0.16","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 As Br2 Cl4 N3 Ni O -","- C20 H22 As Br2 Cl4 N3 Ni O -","- C80 H88 As4 Br8 Cl16 N12 Ni4 O4 -","4","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0707","0.0536","","","0.1419","0.153","","","","","","1.039","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705774","21.5597","0.0004","9.4131","0.0002","21.624","0.0005","90","","111.956","0.0012","90","","4070.16","0.15","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl4 N6 Pt Sb2 -","- C37 H38 Cl4 N6 Pt Sb2 -","- C148 H152 Cl16 N24 Pt4 Sb8 -","4","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.072","0.0439","","","0.0853","0.0947","","","","","","1.023","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705775","8.2686","0.0002","8.6144","0.0003","15.8017","0.0005","101.168","0.0015","93.4356","0.0014","115.304","0.0013","985.27","0.05","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 As Br2 Co N3 -","- C18 H18 As Br2 Co N3 -","- C36 H36 As2 Br4 Co2 N6 -","2","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0327","0.0265","","","0.0608","0.0633","","","","","","1.066","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705776","23.6574","0.0008","16.1326","0.0006","23.9153","0.0009","90","","94.593","0.002","90","","9098.1","0.6","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H84 Ag4 As4 F12 N16 O8 -","- C72 H72 Ag4 As4 N12 -","- C288 H288 Ag16 As16 N48 -","4","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.132","0.0801","","","0.1766","0.2046","","","","","","1.025","","","","has coordinates,has disorder","262662","2021-03-05","02:10:18",""
"7705777","8.2096","0.0003","8.5804","0.0003","15.8305","0.0005","100.351","0.002","93.784","0.002","114.969","0.0015","981.79","0.06","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 As Br2 N3 Ni -","- C18 H18 As Br2 N3 Ni -","- C36 H36 As2 Br4 N6 Ni2 -","2","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.052","0.0332","","","0.0616","0.0681","","","","","","1.031","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705778","13.4062","0.0004","8.7464","0.0002","14.48","0.0005","90","","94.315","0.002","90","","1693.05","0.09","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 As N3 O -","- C18 H18 As N3 O -","- C72 H72 As4 N12 O4 -","4","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0543","0.0347","","","0.0665","0.0726","","","","","","1.044","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705779","10.0959","0.0003","11.3011","0.0003","13.3583","0.0004","80.513","0.0013","80.3017","0.0013","74.413","0.0013","1435.56","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cl2 N3 Ru Sb -","- C28 H32 Cl2 N3 Ru Sb -","- C56 H64 Cl4 N6 Ru2 Sb2 -","2","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0386","0.0272","","","0.0518","0.0551","","","","","","1.045","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705780","7.8472","0.0005","8.7748","0.0006","11.4684","0.0009","85.187","0.005","78.798","0.005","68.072","0.004","718.54","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Br2 Co N2 -","- C12 H14 Br2 Co N2 -","- C24 H28 Br4 Co2 N4 -","2","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0772","0.0559","","","0.1375","0.1513","","","","","","1.03","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705781","11.5249","0.0004","11.8024","0.0004","19.742","0.0007","100.624","0.002","99.526","0.002","112.501","0.002","2354.55","0.15","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 As2 Br4 Co2 N8 O2 -","- C40 H42 As2 Br4 Co2 N8 O2 -","- C80 H84 As4 Br8 Co4 N16 O4 -","2","1","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.082","0.0696","","","0.1909","0.1973","","","","","","1.088","","","","has coordinates","262662","2021-03-05","02:10:18",""
"7705782","12.4532","0.0006","12.4623","0.0005","17.2354","0.0006","71.064","0.001","70.436","0.002","60.091","0.001","2143.73","0.16","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H18 Ag As F3 N3 O3 -","- C20 H18 Ag As F3 N3 O3 -","- C80 H72 Ag4 As4 F12 N12 O12 -","4","2","","Plajer, Alex J.; Crusius, Daniel; Jethwa, Rajesh B.; García-Romero, Álvaro; Bond, Andrew D.; García-Rodríguez, Raúl; Wright, Dominic S.","Coordination chemistry of the bench-stable tris-2-pyridyl pnictogen ligands [E(6-Me-2-py)<sub>3</sub>] (E = As, As[double bond, length as m-dash]O, Sb).","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2393","2402","10.1039/d0dt03732j","","","1.54178","CuKα","","0.0481","0.0421","","","0.112","0.1168","","","","","","1.078","","","","has coordinates,has disorder","262662","2021-03-05","02:10:18",""
"7705810","12.7351","0.0004","29.6484","0.001","17.6754","0.0005","90","","90","","90","","6673.8","0.4","120","","120","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C72 H49 Cl4 N15 P2 Pt -","- C72 H49 Cl4 N15 P2 Pt -","- C288 H196 Cl16 N60 P8 Pt4 -","4","0.5","","Kuzniak-Glanowska, Emilia; Glosz, Dorota; Niedzielski, Grzegorz; Kobylarczyk, Jedrzej; Srebro-Hooper, Monika; Hooper, James G. M.; Podgajny, Robert","Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","170","185","10.1039/d0dt03535a","","","0.71073","MoKα","","0.0341","0.024","","","0.047","0.0502","","","","","","1.031","","","","has coordinates,has disorder","261643","2021-02-04","23:09:00",""
"7705811","12.8291","0.0006","30.0209","0.0015","17.6145","0.0009","90","","90","","90","","6784.1","0.6","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C72 H49 Br4 N15 P2 Pt -","- C72 H49 Br4 N15 P2 Pt -","- C288 H196 Br16 N60 P8 Pt4 -","4","0.5","","Kuzniak-Glanowska, Emilia; Glosz, Dorota; Niedzielski, Grzegorz; Kobylarczyk, Jedrzej; Srebro-Hooper, Monika; Hooper, James G. M.; Podgajny, Robert","Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","170","185","10.1039/d0dt03535a","","","0.71073","MoKα","","0.0701","0.0462","","","0.1093","0.1205","","","","","","1.057","","","","has coordinates,has disorder","261643","2021-02-04","23:09:00",""
"7705812","10.165","0.006","14.041","0.009","14.832","0.008","91.767","0.018","92.28","0.02","101.67","0.014","2070","2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Br4 P2 Pt -","- C48 H40 Br4 P2 Pt -","- C96 H80 Br8 P4 Pt2 -","2","1","","Kuzniak-Glanowska, Emilia; Glosz, Dorota; Niedzielski, Grzegorz; Kobylarczyk, Jedrzej; Srebro-Hooper, Monika; Hooper, James G. M.; Podgajny, Robert","Binding of anionic Pt(ii) complexes in a dedicated organic matrix: towards new binary crystalline composites.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","170","185","10.1039/d0dt03535a","","","0.71073","MoKα","","0.0651","0.0487","","","0.1245","0.134","","","","","","1.046","","","","has coordinates,has disorder","261643","2021-02-04","23:09:00",""
"7705813","13.1964","0.0004","18.9068","0.0006","18.3821","0.0006","90","","98.374","0.002","90","","4537.5","0.2","160","2","160","2","","","","","","","","6","I 1 2/m 1","-I 2y","12","","","","- C55.5 H88 Cu5 Dy4 N12 O33.5 -","- C50 H76 Cu5 Dy4 N10 O32 -","- C100 H152 Cu10 Dy8 N20 O64 -","2","0.25","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Julia; Stamatatos, Theocharis C.","Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuLn} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","240","251","10.1039/d0dt03582c","","","0.71073","MoKα","","0.0418","0.0352","","","0.0906","0.0953","","","","","","1.058","","","","has coordinates,has disorder","261648","2021-02-04","23:09:49",""
"7705814","9.6205","0.0006","8.0817","0.0004","9.8959","0.0006","90","","114.017","0.008","90","","702.79","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(Imidazolium)","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","0.5","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Julia; Stamatatos, Theocharis C.","Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuLn} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","240","251","10.1039/d0dt03582c","","","0.71073","MoKα","","0.0448","0.0373","","","0.0886","0.0942","","","","","","1.09","","","","has coordinates","261648","2021-02-04","23:09:49",""
"7705815","11.8882","0.0016","13.9025","0.0019","14.6268","0.0019","109.848","0.004","103.739","0.004","102.604","0.004","2087.3","0.5","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H100 Cu5 N6 O32 Y4 -","- C60 H100 Cu5 N6 O32 Y4 -","- C60 H100 Cu5 N6 O32 Y4 -","1","0.5","","Dermitzaki, Despina; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Mayans, Julia; Stamatatos, Theocharis C.","Further synthetic investigation of the general lanthanoid(iii) [Ln(iii)]/copper(ii)/pyridine-2,6-dimethanol/carboxylate reaction system: {CuLn} coordination clusters (Ln = Dy, Tb, Ho) and their yttrium(iii) analogue.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","240","251","10.1039/d0dt03582c","","","0.71073","MoKα","","0.0548","0.035","","","0.0704","0.0776","","","","","","1.036","","","","has coordinates,has disorder","261648","2021-02-04","23:09:49",""
"7705816","16.7403","0.0002","10.2716","0.0002","28.7185","0.0004","90","","95.079","0.001","90","","4918.75","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Dy N4 O10 -","- C53 H55 Dy N4 O10 -","- C212 H220 Dy4 N16 O40 -","4","1","","Zhang, Sheng; Shen, Nan; Zhang, Jiangwei; Xu, Fang; Zhang, Jin; Tang, Jiamin; Hu, Dengwei; Yin, Bing; Chen, Sanping","Solvent responses and substituent effects upon magnetic properties of mononuclear Dy<sup>III</sup> compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","624","637","10.1039/d0dt03477k","","x-ray","1.54184","CuKα","","0.0544","0.0382","","","0.0859","0.0979","","","","","","1.06","","","","has coordinates","261676","2021-02-04","23:15:31",""
"7705817","31.8697","0.0005","10.4652","0.0002","32.215","0.0005","90","","115.13","0.002","90","","9727.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H47 Dy N4 O8 -","- C49 H47 Dy N4 O8 -","- C392 H376 Dy8 N32 O64 -","8","1","","Zhang, Sheng; Shen, Nan; Zhang, Jiangwei; Xu, Fang; Zhang, Jin; Tang, Jiamin; Hu, Dengwei; Yin, Bing; Chen, Sanping","Solvent responses and substituent effects upon magnetic properties of mononuclear Dy<sup>III</sup> compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","624","637","10.1039/d0dt03477k","","x-ray","1.54184","CuKα","","0.051","0.0403","","","0.1035","0.1157","","","","","","1.052","","","","has coordinates","261676","2021-02-04","23:15:31",""
"7705818","29.3867","0.0004","15.1448","0.0002","21.454","0.0003","90","","101.164","0.001","90","","9367.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 Dy N5 O9 -","- C49 H51 Dy N5 O9 -","- C392 H408 Dy8 N40 O72 -","8","1","","Zhang, Sheng; Shen, Nan; Zhang, Jiangwei; Xu, Fang; Zhang, Jin; Tang, Jiamin; Hu, Dengwei; Yin, Bing; Chen, Sanping","Solvent responses and substituent effects upon magnetic properties of mononuclear Dy<sup>III</sup> compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","624","637","10.1039/d0dt03477k","","","1.54184","CuKα","","0.0633","0.0487","","","0.1287","0.1452","","","","","","1.085","","","","has coordinates","261676","2021-02-04","23:15:31",""
"7705819","31.8719","0.0006","10.4645","0.0002","33.4231","0.0007","90","","116.711","0.002","90","","9957.8","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H53 Dy N4 O7 -","- C52 H53 Dy N4 O7 -","- C416 H424 Dy8 N32 O56 -","8","1","","Zhang, Sheng; Shen, Nan; Zhang, Jiangwei; Xu, Fang; Zhang, Jin; Tang, Jiamin; Hu, Dengwei; Yin, Bing; Chen, Sanping","Solvent responses and substituent effects upon magnetic properties of mononuclear Dy<sup>III</sup> compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","624","637","10.1039/d0dt03477k","","x-ray","1.54184","CuKα","","0.0695","0.0575","","","0.1543","0.172","","","","","","1.038","","","","has coordinates","261676","2021-02-04","23:15:31",""
"7705832","15.3572","0.0001","11.1641","0.0001","8.4085","0.0001","90","","97.726","0.001","90","","1428.54","0.02","179.99","0.1","179.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl Eu O6 -","- C14 H10 Cl Eu O6 -","- C56 H40 Cl4 Eu4 O24 -","4","1","","Li, Hong; Liu, Bing; Xu, Ling; Jiao, Huan","A hetero-MOF-based bifunctional ratiometric fluorescent sensor for pH and water detection.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","143","150","10.1039/d0dt03626a","","","1.54178","CuKα","","0.021","0.0185","","","0.0465","0.0476","","","","","","1.01","","","","has coordinates","261637","2021-02-04","23:06:42",""
"7705883","15.3056","0.0004","8.3802","0.0002","15.8983","0.0004","90","","98.204","0.001","90","","2018.31","0.09","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Co Cu N3 O8 -","- C16 H21 Co Cu N3 O8 -","- C64 H84 Co4 Cu4 N12 O32 -","4","1","","Li, Ang; Chamoreau, Lise-Marie; Baptiste, Benoît; Li, Yanling; Journaux, Yves; Lisnard, Laurent","Solvothermal synthesis, structure and magnetic properties of heterometallic coordination polymers based on a phenolato-oxamato co-bidentate-tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","681","688","10.1039/d0dt03269g","","","1.54178","CuKα","","0.0273","0.0267","","","0.0714","0.0719","","","","","","1.018","","","","has coordinates","261673","2021-02-04","23:14:29",""
"7705884","15.2626","0.0004","8.4325","0.0002","16.0027","0.0004","90","","98.269","0.001","90","","2038.17","0.09","200","","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Co0.78 Cu Mn0.22 N3 O8 -","- C16 H21 Co0.78 Cu Mn0.22 N3 O8 -","- C64 H84 Co3.12 Cu4 Mn0.88 N12 O32 -","4","1","","Li, Ang; Chamoreau, Lise-Marie; Baptiste, Benoît; Li, Yanling; Journaux, Yves; Lisnard, Laurent","Solvothermal synthesis, structure and magnetic properties of heterometallic coordination polymers based on a phenolato-oxamato co-bidentate-tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","681","688","10.1039/d0dt03269g","","","1.54178","CuKα","","0.032","0.0277","","","0.0696","0.0723","","","","","","1.047","","","","has coordinates,has disorder","261673","2021-02-04","23:14:29",""
"7705885","15.1715","0.0007","8.4796","0.0004","16.1749","0.0007","90","","98.443","0.003","90","","2058.32","0.16","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cu Mn N3 O8 -","- C16 H21 Cu Mn N3 O8 -","- C64 H84 Cu4 Mn4 N12 O32 -","4","1","","Li, Ang; Chamoreau, Lise-Marie; Baptiste, Benoît; Li, Yanling; Journaux, Yves; Lisnard, Laurent","Solvothermal synthesis, structure and magnetic properties of heterometallic coordination polymers based on a phenolato-oxamato co-bidentate-tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","681","688","10.1039/d0dt03269g","","","0.71073","MoKα","","0.0856","0.0412","","","0.0829","0.0971","","","","","","0.969","","","","has coordinates","261673","2021-02-04","23:14:29",""
"7705902","25.6309","0.0019","3.625","0.0003","21.0696","0.0016","90","","90","","90","","1957.6","0.3","117.4","0.5","117.4","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H12 Cu N6 -","- C18 H12 Cu N6 -","- C72 H48 Cu4 N24 -","4","1","","Zhao, Yan; Li, Lei; Ding, Bo; Wang, Xiu-Guang; Liu, Zheng-Yu; Yang, En-Cui; Zhao, Xiao-Jun","Encapsulated anion-dominated photocatalytic and adsorption performances for organic dye degradation and oxoanion pollutant capture over cationic Cu(i)-organic framework semiconductors.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","197","207","10.1039/d0dt03662e","","x-ray","0.71073","MoKα","","0.0444","0.0409","","","0.0998","0.1018","","","","","","1.046","","","","has coordinates","261638","2021-02-04","23:06:48",""
"7705903","25.868","0.006","3.756","0.001","20.661","0.005","90","","90","","90","","2007.4","0.9","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H16 Cl Cu N6 O6 -","- C18 H12 Cu N6 -","- C72 H48 Cu4 N24 -","4","1","","Zhao, Yan; Li, Lei; Ding, Bo; Wang, Xiu-Guang; Liu, Zheng-Yu; Yang, En-Cui; Zhao, Xiao-Jun","Encapsulated anion-dominated photocatalytic and adsorption performances for organic dye degradation and oxoanion pollutant capture over cationic Cu(i)-organic framework semiconductors.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","197","207","10.1039/d0dt03662e","","","0.71073","MoKα","","0.0934","0.0634","","","0.1333","0.1423","","","","","","1.029","","","","has coordinates","261638","2021-02-04","23:06:48",""
"7705917","9.2744","0.0009","9.748","0.0009","19.597","0.0017","89.105","0.003","85.816","0.003","62.062","0.003","1560.7","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 B Cl2 F2 N5 Zn -","- C32 H32 B Cl2 F2 N5 Zn -","- C64 H64 B2 Cl4 F4 N10 Zn2 -","2","1","","Bhattacharyya, Arnab; Jameei, Aida; Saha, Rupak; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.","BODIPY-linked cis-dichlorido zinc(ii) conjugates: the strategic design of organelle-specific next-generation theranostic photosensitizers.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","103","115","10.1039/d0dt03342a","","","0.71073","MoKα","","0.0977","0.05","","","0.1035","0.1191","","","","","","1.011","","","","has coordinates","261641","2021-02-04","23:08:41",""
"7705918","8.292","0.003","14.512","0.005","20.033","0.007","72.252","0.017","82.738","0.017","74.828","0.018","2213","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H30 B Cl2 F2 I2 N5 Zn -","- C32 H30 B Cl2 F2 I2 N5 Zn -","- C64 H60 B2 Cl4 F4 I4 N10 Zn2 -","2","1","","Bhattacharyya, Arnab; Jameei, Aida; Saha, Rupak; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.","BODIPY-linked cis-dichlorido zinc(ii) conjugates: the strategic design of organelle-specific next-generation theranostic photosensitizers.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","103","115","10.1039/d0dt03342a","","","0.71073","MoKα","","0.1649","0.0683","","","0.1739","0.2096","","","","","","0.852","","","","has coordinates","261641","2021-02-04","23:08:41",""
"7705925","11.565","0.003","11.256","0.003","11.423","0.003","90","","100.628","0.011","90","","1461.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N2 S -","- C18 H11 Cl N2 S -","- C72 H44 Cl4 N8 S4 -","4","1","","Mondal, Ashaparna; Sen, Utsav; Roy, Nilmadhab; Muthukumar, Venkatesan; Sahoo, Suban Kumar; Bose, Bipasha; Paira, Priyankar","DNA targeting half sandwich Ru(II)-<i>p</i>-cymene-N^N complexes as cancer cell imaging and terminating agents: influence of regioisomers in cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","979","997","10.1039/d0dt03107k","","","0.71073","MoKα","","0.1269","0.0441","","","0.0946","0.1324","","","","","","1.021","","","","has coordinates","261702","2021-02-04","23:20:58",""
"7705926","9.085","0.005","13.306","0.008","16.74","0.011","90","","90","","90","","2024","2","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","PJ-151","","- C17 H10 Cl2 N O5 P W -","- C17 H10 Cl2 N O5 P W -","- C68 H40 Cl8 N4 O20 P4 W4 -","4","1","","Junker, Philip; Qu, Zheng-Wang; Kalisch, Tim; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","A case study on the conversion of Li/Cl phosphinidenoid into phosphinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","739","745","10.1039/d0dt03884a","","","0.71073","MoKα","","0.0318","0.0257","","","0.0471","0.049","","","","","","1.026","","","","has coordinates","261683","2021-02-04","23:16:56",""
"7705927","11.588","0.0005","11.8529","0.0005","16.5434","0.0007","78.659","0.004","82.857","0.003","62.42","0.004","1973.28","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","PJ-237","","- C34 H46 N2 O10 P2 W2 -","- C34 H46 N2 O10 P2 W2 -","- C68 H92 N4 O20 P4 W4 -","2","1","","Junker, Philip; Qu, Zheng-Wang; Kalisch, Tim; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","A case study on the conversion of Li/Cl phosphinidenoid into phosphinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","739","745","10.1039/d0dt03884a","","","0.71073","MoKα","","0.1039","0.0842","","","0.1972","0.2166","","","","","","1.079","","","","has coordinates","261683","2021-02-04","23:16:56",""
"7705928","18.519","0.003","20.485","0.004","23.872","0.004","75.864","0.004","78.757","0.004","83.012","0.004","8587","3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","L+SO4","","- C91 H126 N10 O9 S -","- C91 H126 N10 O9 S -","- C364 H504 N40 O36 S4 -","4","2","","Zhang, Dan; Zhao, Jie; Cao, Liping; Yang, Dong; Chen, Bozhong; Yu, Le; Yang, Xiao-Juan; Wu, Biao","Stepwise enhancement of fluorescence induced by anion coordination and non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","76","80","10.1039/d0dt03788e","","","0.71073","MoKα","","0.2858","0.1172","","","0.2923","0.4163","","","","","","1.005","","","","has coordinates,has disorder","261642","2021-02-04","23:08:51",""
"7705929","12.111","0.002","17.685","0.003","25.349","0.005","74.055","0.004","88.954","0.005","74.796","0.004","5029.2","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","L+HPO4","","- C80 H97 K2 N8 O20 P -","- C80 H97 K2 N8 O20 P -","- C160 H194 K4 N16 O40 P2 -","2","1","","Zhang, Dan; Zhao, Jie; Cao, Liping; Yang, Dong; Chen, Bozhong; Yu, Le; Yang, Xiao-Juan; Wu, Biao","Stepwise enhancement of fluorescence induced by anion coordination and non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","76","80","10.1039/d0dt03788e","","","0.71073","MoKα","","0.2133","0.0994","","","0.2124","0.2412","","","","","","1.043","","","","has coordinates","261642","2021-02-04","23:08:51",""
"7705930","9.5514","0.0017","29.487","0.006","25.41","0.005","90","","95.276","0.005","90","","7126","2","150","2","149.96","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","L+SO4+MV","","- C74 H74 N10 O10 S2 -","- C75 H74 N10 O10 S2 -","- C300 H296 N40 O40 S8 -","4","1","","Zhang, Dan; Zhao, Jie; Cao, Liping; Yang, Dong; Chen, Bozhong; Yu, Le; Yang, Xiao-Juan; Wu, Biao","Stepwise enhancement of fluorescence induced by anion coordination and non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","76","80","10.1039/d0dt03788e","","","0.71073","MoKα","","0.1721","0.1099","","","0.3059","0.3476","","","","","","1.116","","","","has coordinates","261642","2021-02-04","23:08:51",""
"7705931","12.5156","0.0005","8.7984","0.0004","28.836","0.0012","90","","100.346","0.002","90","","3123.7","0.2","302","2","302","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B20 P2 S4 -","- C54 H62 B20 P2 S4 -","- C108 H124 B40 P4 S8 -","2","0.5","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54178","CuKα","","0.0732","0.0527","","","0.1388","0.1547","","","","","","1.059","","","","has coordinates","261697","2021-02-04","23:20:00",""
"7705932","12.2831","0.0005","19.6865","0.0008","13.465","0.0005","90","","90.071","0.002","90","","3256","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 B20 Ir S4 -","- C16 H37 B20 Ir S4 -","- C64 H148 B80 Ir4 S16 -","4","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.34138","GaKα","","0.0352","0.0296","","","0.0643","0.0671","","","","","","1.067","","","","has coordinates","261697","2021-02-04","23:20:00",""
"7705933","6.743","0.0005","13.4145","0.0008","13.9386","0.001","90","","100.698","0.003","90","","1238.89","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 B10 S2 -","- C4 H14 B10 S2 -","- C16 H56 B40 S8 -","4","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","0.71073","MoKα","","0.076","0.047","","","0.1018","0.1186","","","","","","1.046","","","","has coordinates","261697","2021-02-04","23:20:00",""
"7705934","13.3076","0.0004","13.6172","0.0004","13.4642","0.0004","90","","114.273","0.001","90","","2224.19","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 B10 Cl Ir S2 -","- C13 H26 B10 Cl Ir S2 -","- C52 H104 B40 Cl4 Ir4 S8 -","4","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.34138","GaKα","","0.0301","0.028","","","0.0735","0.0753","","","","","","1.036","","","","has coordinates","261697","2021-02-04","23:20:00",""
"7705935","13.3454","0.0004","13.2555","0.0004","13.4524","0.0004","90","","114.904","0.001","90","","2158.45","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 B10 Cl Rh S2 -","- C13 H26 B10 Cl Rh S2 -","- C52 H104 B40 Cl4 Rh4 S8 -","4","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.34138","GaKα","","0.045","0.0297","","","0.0611","0.0662","","","","","","1.022","","","","has coordinates","261697","2021-02-04","23:20:00",""
"7705936","12.2938","0.0008","19.654","0.0012","13.4549","0.0008","90","","90.096","0.002","90","","3251","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 B20 Rh S4 -","- C16 H37 B20 Rh S4 -","- C64 H148 B80 Rh4 S16 -","4","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54178","CuKα","","0.0725","0.0719","","","0.1766","0.177","","","","","","1.042","","","","has coordinates","261697","2021-02-04","23:20:00",""
"7705937","8.1015","0.0003","9.9248","0.0003","17.6172","0.0006","94.722","0.001","99.047","0.001","102.503","0.001","1355.74","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 B10 Ir S3 -","- C20 H33 B10 Ir S3 -","- C40 H66 B20 Ir2 S6 -","2","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54178","CuKα","","0.0158","0.0154","","","0.0375","0.0377","","","","","","1.1","","","","has coordinates","261697","2021-02-04","23:20:01",""
"7705938","10.4735","0.001","15.2045","0.0018","15.997","0.004","99.929","0.008","104.054","0.008","105.83","0.005","2298.4","0.7","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 B10 Cl Ir S2 -","- C14 H28 B10 Cl Ir S2 -","- C56 H112 B40 Cl4 Ir4 S8 -","4","2","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54184","CuKα","","0.051","0.049","","","0.1295","0.1315","","","","","","1.027","","","","has coordinates","261697","2021-02-04","23:20:01",""
"7705939","8.347","0.003","15.93","0.005","21.753","0.005","102.28","0.03","95.76","0.02","112.81","0.03","2551","1.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H66 B30 Ir2 S4 -","- C28 H66 B30 Ir2 S4 -","- C56 H132 B60 Ir4 S8 -","2","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54184","CuKα","","0.0303","0.0278","","","0.0745","0.0762","","","","","","1.041","","","","has coordinates","261697","2021-02-04","23:20:01",""
"7705940","12.7778","0.0015","15.0383","0.0013","18.354","0.004","90","","108.269","0.008","90","","3349.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H39 B20 Ir S4 -","- C17 H39 B20 Ir S4 -","- C68 H156 B80 Ir4 S16 -","4","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54178","CuKα","","0.024","0.0232","","","0.0618","0.0625","","","","","","1.034","","","","has coordinates","261697","2021-02-04","23:20:01",""
"7705941","9.176","0.002","22.801","0.005","34.588","0.007","90","","90","","90","","7237","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H44 B20 Ir N S3 -","- C23 H44 B20 Ir N S3 -","- C184 H352 B160 Ir8 N8 S24 -","8","1","","Yuan, Run-Ze; Cui, Peng-Fei; Guo, Shu-Ting; Jin, Guo-Xin","Regioselective B(3)-H bond activation based on an o-carboranyl dithiocarboxylate ligand and its derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1060","1068","10.1039/d0dt03832f","","","1.54184","CuKα","","0.0361","0.0264","","","0.0541","0.0582","","","","","","1.086","","","","has coordinates,has disorder","261697","2021-02-04","23:20:01",""
"7705942","11.8896","0.0002","20.6949","0.0004","22.3509","0.0004","113.56","0.0007","90.6255","0.0008","104.866","0.0008","4832.24","0.16","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H129.44 Na18 O96.8 P9 -","- C9 H129.446 Na18 O96.8 P9 -","- C18 H258.892 Na36 O193.6 P18 -","2","1","","Kaur, Sandeep; Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Snapshots of ""crystalline"" salt-water solutions of inositol hexaphosphate conformers.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","480","484","10.1039/d0dt03775c","","","1.54178","CuKα","","0.0445","0.041","","","0.1047","0.1082","","","","","","1.035","","","","has coordinates","261681","2021-02-04","23:16:36",""
"7705943","7.7646","0.0004","12.0563","0.0006","13.745","0.0007","77.893","0.001","89.755","0.001","89.088","0.001","1257.92","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H31 Na4 O25 P3 -","- C3 H31 Na4 O25 P3 -","- C6 H62 Na8 O50 P6 -","2","1","","Kaur, Sandeep; Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin","Snapshots of ""crystalline"" salt-water solutions of inositol hexaphosphate conformers.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","480","484","10.1039/d0dt03775c","","","1.54178","CuKα","","0.034","0.0329","","","0.0926","0.0936","","","","","","1.061","","","","has coordinates","261681","2021-02-04","23:16:36",""
"7705944","18.3936","0.0007","18.3936","0.0007","36.5323","0.0014","90","","90","","120","","10703.9","0.7","150","2","150","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C53 H44 Cu4 N6 O28 -","- C47.0004 H30.0024 Cu4 N4.0002 O25.5003 -","- C282.002 H180.014 Cu24 N24.0012 O153.002 -","6","0.166667","","Xu, Tingting; He, Minghui; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; He, Yabing","Engineering ligand conformation by substituent manipulation towards diverse copper-tricarboxylate frameworks with tuned gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","638","646","10.1039/d0dt03410j","","x-ray","0.71073","MoKα","","0.0896","0.0768","","","0.1767","0.1837","","","","","","1.021","","","","has coordinates,has disorder","261684","2021-02-04","23:17:11",""
"7705945","32.031","0.006","18.235","0.005","41.925","0.01","90","","95.246","0.012","90","","24385","10","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Cu5 N12 O39 -","- C54 H48 Cu5 N2 O27 -","- C432 H384 Cu40 N16 O216 -","8","1","","Xu, Tingting; He, Minghui; Fan, Lihui; Zhou, Ping; Jiang, Zhenzhen; He, Yabing","Engineering ligand conformation by substituent manipulation towards diverse copper-tricarboxylate frameworks with tuned gas adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","638","646","10.1039/d0dt03410j","","x-ray","1.54178","CuKα","","0.1177","0.094","","","0.2337","0.2481","","","","","","1.097","","","","has coordinates,has disorder","261684","2021-02-04","23:17:11",""
"7705946","18.8341","0.0009","8.8537","0.0004","23.095","0.0012","90","","90","","90","","3851.1","0.3","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H38 Dy2 N4 O16 -","- C34 H38 Dy2 N4 O16 -","- C136 H152 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Huang, Yuan; Tello Yepes, David Felipe; Li, Haiyan; Li, Yahong; Zhang, Yi-Quan; Yao, Jinlei","Evolution from a single relaxation process to two-step relaxation processes of Dy<sub>2</sub> single-molecule magnets via the modulations of the terminal solvent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","217","228","10.1039/d0dt03093g","","","0.71073","MoKα","","0.0981","0.0484","","","0.1","0.1106","","","","","","1.01","","","","has coordinates","261646","2021-02-04","23:09:33",""
"7705947","18.6721","0.0016","9.0807","0.0008","23.3406","0.0019","90","","90","","90","","3957.5","0.6","296","2","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H42 Dy2 N4 O16 -","- C36 H42 Dy2 N4 O16 -","- C144 H168 Dy8 N16 O64 -","4","0.5","","Li, Dawei; Ding, Man-Man; Huang, Yuan; Tello Yepes, David Felipe; Li, Haiyan; Li, Yahong; Zhang, Yi-Quan; Yao, Jinlei","Evolution from a single relaxation process to two-step relaxation processes of Dy<sub>2</sub> single-molecule magnets via the modulations of the terminal solvent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","217","228","10.1039/d0dt03093g","","","0.71073","MoKα","","0.0701","0.0445","","","0.1181","0.1323","","","","","","1.078","","","","has coordinates","261646","2021-02-04","23:09:33",""
"7705948","16.072","0.0014","16.4037","0.0014","18.1256","0.0016","90","","100.123","0.002","90","","4704.2","0.7","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Dy2 N6 O16 -","- C38 H44 Dy2 N6 O16 -","- C152 H176 Dy8 N24 O64 -","4","1","","Li, Dawei; Ding, Man-Man; Huang, Yuan; Tello Yepes, David Felipe; Li, Haiyan; Li, Yahong; Zhang, Yi-Quan; Yao, Jinlei","Evolution from a single relaxation process to two-step relaxation processes of Dy<sub>2</sub> single-molecule magnets via the modulations of the terminal solvent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","217","228","10.1039/d0dt03093g","","","0.71073","MoKα","","0.1044","0.051","","","0.1095","0.1324","","","","","","1.044","","","","has coordinates","261646","2021-02-04","23:09:33",""
"7705949","26.8985","0.0003","26.8985","0.0003","26.8985","0.0003","90","","90","","90","","19461.9","0.4","200","","200","","","","","","","","","6","P m -3 n","-P 4n 2 3","223","","","","- C80 H114 Cl8 Dy4 N32 O51 -","- C80 H92 Cl8 Dy4 N32 O51.01 -","- C480 H552 Cl48 Dy24 N192 O306.06 -","6","0.125","","Wu, Jianfeng; Yang, Qianqian; Wang, Haoyu; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Single-molecule magnets under dc field with an anion effect: self-assembly of pure dysprosium(iii) metallacycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","262","269","10.1039/d0dt02869j","","","1.54178","CuKα","","0.1119","0.1058","","","0.2874","0.2915","","","","","","1.213","","","","has coordinates,has disorder","261640","2021-02-04","23:08:34",""
"7705950","11.6126","0.0003","13.7845","0.0004","14.7071","0.0004","63.176","0.001","88.794","0.001","79.823","0.001","2063.23","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C25.77 H37.23 Dy2 N14.77 O19.23 -","- C25.77 H37.23 Dy2 N14.77 O19.23 -","- C51.54 H74.46 Dy4 N29.54 O38.46 -","2","1","","Wu, Jianfeng; Yang, Qianqian; Wang, Haoyu; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Single-molecule magnets under dc field with an anion effect: self-assembly of pure dysprosium(iii) metallacycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","262","269","10.1039/d0dt02869j","","","1.54178","CuKα","","0.0473","0.0395","","","0.0983","0.1048","","","","","","1.044","","","","has coordinates,has disorder","261640","2021-02-04","23:08:34",""
"7705951","20.2137","0.0006","23.1408","0.0007","21.4891","0.0005","90","","104.615","0.002","90","","9726.5","0.5","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dy6","","- C134 H212 Br12 Dy6 N48 O35 -","- C134 H188 Br12 Dy6 N48 O35 -","- C268 H376 Br24 Dy12 N96 O70 -","2","0.5","","Wu, Jianfeng; Yang, Qianqian; Wang, Haoyu; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Single-molecule magnets under dc field with an anion effect: self-assembly of pure dysprosium(iii) metallacycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","262","269","10.1039/d0dt02869j","","","1.54178","CuKα","","0.1303","0.0918","","","0.2311","0.2588","","","","","","1.034","","","","has coordinates,has disorder","261640","2021-02-04","23:08:34",""
"7705952","25.3943","0.0008","26.5959","0.0009","43.3898","0.0014","90","","96.012","0.002","90","","29143.6","1.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C91.5 H101 Dy4 F24 N34 O34 S8 -","- C91.5 H101 Dy4 F24 N34 O34 S8 -","- C732 H808 Dy32 F192 N272 O272 S64 -","8","1","","Wu, Jianfeng; Yang, Qianqian; Wang, Haoyu; Ge, Yan; Tang, Jinkui; Qi, Zhenhui","Single-molecule magnets under dc field with an anion effect: self-assembly of pure dysprosium(iii) metallacycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","262","269","10.1039/d0dt02869j","","","1.54178","CuKα","","0.0765","0.0667","","","0.1837","0.1919","","","","","","1.045","","","","has coordinates,has disorder","261640","2021-02-04","23:08:34",""
"7705953","11.0248","0.0008","13.2191","0.001","14.1609","0.0011","117.15","0.001","102.407","0.001","100.618","0.001","1696.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cd N O -","- C2.9 H2 Cd0.1 N0.7 O0.3 -","- C58 H40 Cd2 N14 O6 -","20","10","","Zhao, Jiao-Jiao; Zhang, Lei; Liu, Peng-Yu; Chen, Wei-Zhe; Liu, Zhi-Liang; Wang, Yan-Qin","Water-stable Cd(ii)/Zn(ii) coordination polymers as recyclable luminescent sensors for detecting hippuric acid in simulated urine for indexing toluene exposure with high selectivity, sensitivity and fast response.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","553","561","10.1039/d0dt03648j","","","0.71073","MoKα","","0.1163","0.0932","","","0.3029","0.3293","","","","","","1.341","","","","has coordinates","261685","2021-02-04","23:17:17",""
"7705954","9.5327","0.0006","10.2308","0.0007","18.6797","0.0012","82.849","0.001","76.579","0.001","73.126","0.001","1692.54","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C H Cd N O -","- C3.1 H1.9 Cd0.2 N0.7 O0.7 -","- C62 H38 Cd4 N14 O14 -","20","10","","Zhao, Jiao-Jiao; Zhang, Lei; Liu, Peng-Yu; Chen, Wei-Zhe; Liu, Zhi-Liang; Wang, Yan-Qin","Water-stable Cd(ii)/Zn(ii) coordination polymers as recyclable luminescent sensors for detecting hippuric acid in simulated urine for indexing toluene exposure with high selectivity, sensitivity and fast response.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","553","561","10.1039/d0dt03648j","","","0.71073","MoKα","","0.0536","0.047","","","0.1598","0.1682","","","","","","1.109","","","","has coordinates","261685","2021-02-04","23:17:17",""
"7705955","12.8324","0.0009","14.0562","0.0009","16.8239","0.0012","97.03","0.001","101.518","0.001","114.71","0.001","2628","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H36 N14 O4 Zn2 -","- C58 H36 N14 O4 Zn2 -","- C116 H72 N28 O8 Zn4 -","2","1","","Zhao, Jiao-Jiao; Zhang, Lei; Liu, Peng-Yu; Chen, Wei-Zhe; Liu, Zhi-Liang; Wang, Yan-Qin","Water-stable Cd(ii)/Zn(ii) coordination polymers as recyclable luminescent sensors for detecting hippuric acid in simulated urine for indexing toluene exposure with high selectivity, sensitivity and fast response.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","553","561","10.1039/d0dt03648j","","","0.71073","MoKα","","0.1178","0.0973","","","0.3379","0.3602","","","","","","1.516","","","","has coordinates","261685","2021-02-04","23:17:17",""
"7705956","8.991","0.0006","9.4021","0.0005","11.1152","0.0007","68.234","0.001","83.263","0.002","67.539","0.001","806.1","0.09","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Dy N3 O10 -","- C10 H14 Dy N3 O10 -","- C20 H28 Dy2 N6 O20 -","2","1","","Kong, Ming; Feng, Xin; Wang, Jia; Zhang, Yi-Quan; Song, You","Tuning magnetic anisotropy via terminal ligands along the DyDy orientation in novel centrosymmetric [Dy<sub>2</sub>] single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","568","577","10.1039/d0dt03854g","","","0.71073","MoKα","","0.0257","0.0251","","","0.0627","0.063","","","","","","1.136","","","","has coordinates","261680","2021-02-04","23:16:18",""
"7705957","10.9342","0.0005","11.8499","0.0005","13.2957","0.0006","66.512","0.001","70.905","0.001","77.854","0.001","1486.66","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Dy N3 O10 P -","- C28 H27 Dy N3 O10 P -","- C56 H54 Dy2 N6 O20 P2 -","2","1","","Kong, Ming; Feng, Xin; Wang, Jia; Zhang, Yi-Quan; Song, You","Tuning magnetic anisotropy via terminal ligands along the DyDy orientation in novel centrosymmetric [Dy<sub>2</sub>] single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","568","577","10.1039/d0dt03854g","","","0.71073","MoKα","","0.0223","0.0197","","","0.0475","0.0495","","","","","","1.051","","","","has coordinates","261680","2021-02-04","23:16:18",""
"7705958","13.5364","0.0006","8.7239","0.0004","19.063","0.0009","90","","101.079","0.001","90","","2209.2","0.18","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 Dy N4 O14 -","- C15 H22 Dy N4 O14 -","- C60 H88 Dy4 N16 O56 -","4","1","","Kong, Ming; Feng, Xin; Wang, Jia; Zhang, Yi-Quan; Song, You","Tuning magnetic anisotropy via terminal ligands along the DyDy orientation in novel centrosymmetric [Dy<sub>2</sub>] single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","568","577","10.1039/d0dt03854g","","","0.71073","MoKα","","0.0335","0.0308","","","0.0996","0.1024","","","","","","1.061","","","","has coordinates","261680","2021-02-04","23:16:18",""
"7705959","10.5172","0.0004","28.6755","0.0012","10.6412","0.0004","90","","93.736","0.002","90","","3202.4","0.2","193","2","192.95","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Dy2 N4 O26 -","- C62 H70 Dy2 N4 O26 -","- C124 H140 Dy4 N8 O52 -","2","0.5","","Kong, Ming; Feng, Xin; Wang, Jia; Zhang, Yi-Quan; Song, You","Tuning magnetic anisotropy via terminal ligands along the DyDy orientation in novel centrosymmetric [Dy<sub>2</sub>] single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","568","577","10.1039/d0dt03854g","","","0.71073","MoKα","","0.0461","0.0377","","","0.0957","0.0993","","","","","","1.104","","","","has coordinates","261680","2021-02-04","23:16:18",""
"7705960","7.029","0.004","7.029","0.004","20.97","0.03","90","","90","","120","","897.3","1.5","296","2","296","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Al B5 Cs2 O10 -","- Al B5 Cs2 O10 -","- Al3 B15 Cs6 O30 -","3","0.5","","Baiheti, Tuohetijiang; Han, Shujuan; Jin, Wenqi; Yang, Zhihua; Pan, Shilie","Cs<sub>2</sub>AlB<sub>5</sub>O<sub>10</sub>: a short-wavelength nonlinear optical crystal with moderate second harmonic generation response.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","822","825","10.1039/d0dt04020g","","","0.71073","MoKα","","0.0815","0.0533","","","0.1218","0.1404","","","","","","1.019","","","","has coordinates","261692","2021-02-04","23:18:45",""
"7705961","11.753","0.0007","12.4417","0.0007","20.3709","0.0011","90","","90","","90","","2978.8","0.3","120","2","120","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C8 H14 Ag3 N3 O12 -","- C8 H12 Ag2.9999 N3 O11 -","- C64 H96 Ag23.9992 N24 O88 -","8","1","","Rendošová, Michaela; Gyepes, Róbert; Maruščáková, Ivana Cingeľová; Mudroňová, Dagmar; Sabolová, Danica; Kello, Martin; Vilková, Mária; Almáši, Miroslav; Huntošová, Veronika; Zemek, Ondřej; Vargová, Zuzana","An in vitro selective inhibitory effect of silver(i) aminoacidates against bacteria and intestinal cell lines and elucidation of the mechanism of action by means of DNA binding properties, DNA cleavage and cell cycle arrest.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","936","953","10.1039/d0dt03332d","","","0.71073","MoKα","","0.0153","0.0152","","","0.0389","0.0389","","","","","","1.211","","","","has coordinates,has disorder","261690","2021-02-04","23:18:31",""
"7705962","5.3842","0.0003","9.5109","0.0006","10.193","0.0006","75.554","0.002","82.498","0.002","74.559","0.002","486.07","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H13 Ag N2 O6 -","- C5 H13 Ag N2 O6 -","- C10 H26 Ag2 N4 O12 -","2","1","","Rendošová, Michaela; Gyepes, Róbert; Maruščáková, Ivana Cingeľová; Mudroňová, Dagmar; Sabolová, Danica; Kello, Martin; Vilková, Mária; Almáši, Miroslav; Huntošová, Veronika; Zemek, Ondřej; Vargová, Zuzana","An in vitro selective inhibitory effect of silver(i) aminoacidates against bacteria and intestinal cell lines and elucidation of the mechanism of action by means of DNA binding properties, DNA cleavage and cell cycle arrest.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","936","953","10.1039/d0dt03332d","","","0.71073","MoKα","","0.0151","0.0142","","","0.0356","0.0359","","","","","","1.192","","","","has coordinates","261690","2021-02-04","23:18:31",""
"7705963","22.3546","0.0018","4.9468","0.0004","7.1164","0.0006","90","","100.9","0.002","90","","772.76","0.11","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Cl3 N4 O4 Pd -","- C8 H24 Cl3 N4 O4 Pd -","- C16 H48 Cl6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Wakizaka, Masanori; Yoshida, Takefumi; Iguchi, Hiroaki; Takaishi, Shinya; Afrin, Unjila; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","An unusual Pd(III) oxidation state in the Pd-Cl chain complex with high thermal stability and electrical conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1614","1619","10.1039/d0dt03848b","","","0.71073","MoKα","","0.0389","0.0333","","","0.0558","0.0576","","","","","","1.017","","","","has coordinates","262629","2021-03-05","02:00:31",""
"7705964","22.478","0.002","4.9692","0.0005","7.1793","0.0007","90","","101.158","0.002","90","","786.75","0.13","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C8 H24 Cl3 N4 O4 Pd -","- C8 H24 Cl3 N4 O4 Pd -","- C16 H48 Cl6 N8 O8 Pd2 -","2","0.5","","Mian, Mohammad Rasel; Wakizaka, Masanori; Yoshida, Takefumi; Iguchi, Hiroaki; Takaishi, Shinya; Afrin, Unjila; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Breedlove, Brian K.; Yamashita, Masahiro","An unusual Pd(III) oxidation state in the Pd-Cl chain complex with high thermal stability and electrical conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1614","1619","10.1039/d0dt03848b","","","0.71073","MoKα","","0.039","0.0338","","","0.0587","0.0607","","","","","","1.018","","","","has coordinates","262629","2021-03-05","02:00:32",""
"7705966","14.84","0.0003","16.9282","0.0004","16.3244","0.0003","90","","96.1754","0.0012","90","","4077.13","0.15","150","2","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Ag2 Cl2 N14 O6 Rh2 -","- C40 H32 Ag2 N14 O6 Rh2 -","- C160 H128 Ag8 N56 O24 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0643","0.0355","","","0.0687","0.0768","","","","","","1.022","","","","has coordinates","261674","2021-02-04","23:15:06",""
"7705967","11.4541","0.0004","21.2908","0.0006","20.366","0.0006","90","","93.0367","0.0009","90","","4959.6","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 Cl6 F6 N12 P Rh2 Ru -","- C42 H36 Cl6 F6 N12 P Rh2 Ru -","- C168 H144 Cl24 F24 N48 P4 Rh8 Ru4 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0651","0.0467","","","0.1051","0.1185","","","","","","1.057","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705968","16.0407","0.0008","15.7566","0.0007","16.9543","0.0008","90","","99.4159","0.0012","90","","4227.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Cu N12 O Rh2 -","- C44 H42 Cl2 Cu N12 O Rh2 -","- C176 H168 Cl8 Cu4 N48 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0497","0.0355","","","0.0766","0.0825","","","","","","1.015","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705969","22.5312","0.0013","9.2175","0.0005","19.926","0.0012","90","","90","","90","","4138.3","0.4","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H36 Cl4 N12 Rh2 -","- C42 H36 Cl4 N12 Rh2 -","- C168 H144 Cl16 N48 Rh8 -","4","0.5","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0395","0.0298","","","0.0638","0.0673","","","","","","1.03","","","","has coordinates","261674","2021-02-04","23:15:06",""
"7705970","16.0644","0.0007","15.7547","0.0007","16.9905","0.0007","90","","98.7876","0.001","90","","4249.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Fe N12 O Rh2 -","- C44 H42 Cl2 Fe N12 O Rh2 -","- C176 H168 Cl8 Fe4 N48 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0448","0.0343","","","0.0717","0.0755","","","","","","1.057","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705971","22.3384","0.0015","11.8646","0.0008","20.0326","0.0014","90","","113.062","0.0014","90","","4885","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H44 Cl6 N12 O Rh2 Zn2 -","- C45 H44 Cl6 N12 O Rh2 Zn2 -","- C180 H176 Cl24 N48 O4 Rh8 Zn8 -","4","0.5","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0491","0.0412","","","0.0981","0.1023","","","","","","1.046","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705972","15.9696","0.0007","15.7425","0.0008","16.9763","0.0008","90","","98.6045","0.0012","90","","4219.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 N12 Ni O Rh2 -","- C44 H42 Cl2 N12 Ni O Rh2 -","- C176 H168 Cl8 N48 Ni4 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0491","0.0369","","","0.0735","0.0783","","","","","","1.052","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705973","16.0445","0.0008","15.7818","0.0008","17.0632","0.0009","90","","98.5713","0.0012","90","","4272.3","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Mn N12 O Rh2 -","- C44 H42 Cl2 Mn N12 O Rh2 -","- C176 H168 Cl8 Mn4 N48 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0619","0.0551","","","0.1119","0.1146","","","","","","1.22","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705974","34.3409","0.0004","34.3409","0.0004","11.7036","0.0001","90","","90","","90","","13802","0.3","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H32 N12 Rh2 -","- C40 H32 N12 Rh2 -","- C640 H512 N192 Rh32 -","16","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0666","0.0348","","","0.0749","0.0846","","","","","","0.968","","","","has coordinates","261674","2021-02-04","23:15:06",""
"7705975","16.1881","0.0008","15.772","0.0008","16.9596","0.0009","90","","100.602","0.0011","90","","4256.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 N12 O Pd Rh2 -","- C44 H42 Cl2 N12 O Pd Rh2 -","- C176 H168 Cl8 N48 O4 Pd4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0428","0.0317","","","0.0694","0.0736","","","","","","1.027","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705976","14.4313","0.0002","16.7886","0.0002","16.4651","0.0002","90","","96.6949","0.0006","90","","3961.98","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl2 Cu2 N12 Rh2 -","- C40 H32 Cl2 Cu2 N12 Rh2 -","- C160 H128 Cl8 Cu8 N48 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0634","0.032","","","0.0619","0.0727","","","","","","1.031","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705977","11.5346","0.0008","21.3695","0.0013","20.2834","0.0013","90","","92.693","0.002","90","","4994.1","0.6","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H35 Cl7 F6 N12 Ni P Rh2 -","- C42 H35 Cl7 F6 N12 Ni P Rh2 -","- C168 H140 Cl28 F24 N48 Ni4 P4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0851","0.0534","","","0.1282","0.1432","","","","","","1.024","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705978","8.9453","0.0002","34.2269","0.0009","15.0001","0.0004","90","","95.1383","0.0009","90","","4574.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H33.5 Au Cl6.5 N12 Rh2 -","- C41.5 H33.5 Au Cl6.5 N12 Rh2 -","- C166 H134 Au4 Cl26 N48 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0771","0.0427","","","0.0856","0.0985","","","","","","1.019","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705979","16.221","0.001","15.811","0.001","16.9816","0.001","90","","100.766","0.001","90","","4278.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 N12 O Pt Rh2 -","- C44 H42 Cl2 N12 O Pt Rh2 -","- C176 H168 Cl8 N48 O4 Pt4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0726","0.0544","","","0.0931","0.0982","","","","","","1.163","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705980","16.1176","0.0007","15.8659","0.0006","17.1805","0.0007","90","","98.6243","0.0009","90","","4343.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cd Cl2 N12 O Rh2 -","- C44 H42 Cd Cl2 N12 O Rh2 -","- C176 H168 Cd4 Cl8 N48 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0653","0.059","","","0.1078","0.1101","","","","","","1.315","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705981","16.0711","0.0008","15.7264","0.0008","16.9371","0.0008","90","","99.5862","0.0011","90","","4220.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Ir N12 O Rh2 -","- C44 H42 Cl2 Ir N12 O Rh2 -","- C176 H168 Cl8 Ir4 N48 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0439","0.0341","","","0.0739","0.0783","","","","","","1.038","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705982","16.0245","0.0002","15.7742","0.0002","17.0123","0.0003","90","","98.6876","0.0009","90","","4250.92","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co N12 O Rh2 -","- C44 H42 Cl2 Co N12 O Rh2 -","- C176 H168 Cl8 Co4 N48 O4 Rh8 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0926","0.0475","","","0.1179","0.1368","","","","","","1.03","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705983","51.972","0.002","11.8446","0.0005","18.1292","0.0008","90","","108.413","0.001","90","","10588.8","0.8","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H51 Cl2 F6 Ir N12 O2.5 P Rh2 -","- C48.5 H51 Cl2 F6 Ir N12 O2.5 P Rh2 -","- C388 H408 Cl16 F48 Ir8 N96 O20 P8 Rh16 -","8","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0588","0.0437","","","0.0997","0.1062","","","","","","1.039","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705984","16.0136","0.0008","15.7306","0.0007","16.9756","0.0008","90","","98.761","0.0011","90","","4226.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 N12 O Rh2 Ru -","- C44 H42 Cl2 N12 O Rh2 Ru -","- C176 H168 Cl8 N48 O4 Rh8 Ru4 -","4","1","","Cheng, Ming-Chuan; Lee, Gene-Hsiang; Lin, Tien-Sung; Liu, Yu-Chiao; Chiang, Ming-Hsi; Peng, Shie-Ming","A new series of heteronuclear metal strings, MRhRh(dpa)<sub>4</sub>Cl<sub>2</sub> and MRhRhM(dpa)<sub>4</sub>X<sub>2</sub>, from the reactions of Rh<sub>2</sub>(dpa)<sub>4</sub> with metal ions of group 7 to group 12.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","520","534","10.1039/d0dt03311a","","","0.71073","MoKα","","0.0626","0.0466","","","0.0912","0.0968","","","","","","1.106","","","","has coordinates,has disorder","261674","2021-02-04","23:15:06",""
"7705985","13.658","0.003","20.938","0.004","19.55","0.004","90","","100.38","0.03","90","","5499","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 Cl3 Ir P4 -","- C51 H46 Cl3 Ir P4 -","- C204 H184 Cl12 Ir4 P16 -","4","1","","Li, Yinwu; Maser, Leon; Alig, Lukas; Ke, Zhuofeng; Langer, Robert","From carbones to carbenes and ylides in the coordination sphere of iridium.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","954","959","10.1039/d0dt03942j","","","0.71073","MoKα","","0.0752","0.0472","","","0.0989","0.1055","","","","","","0.875","","","","has coordinates","261704","2021-02-04","23:21:10",""
"7705986","13.1434","0.0014","15.766","0.002","19.777","0.002","101.806","0.007","108.701","0.005","90.185","0.007","3789.2","0.8","90","2","90","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H104 Li2 N4 O2 P4 Rh2 Si8 -","- C58 H104 Li2 N4 O2 P4 Rh2 Si8 -","- C116 H208 Li4 N8 O4 P8 Rh4 Si16 -","2","1","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","","0.71073","MoKα","","0.1015","0.0641","","","0.1492","0.1685","","","","","","1.036","","","","has coordinates","261693","2021-02-04","23:18:57",""
"7705987","10.7614","0.0005","22.3119","0.0013","17.1063","0.0008","90","","92.872","0.002","90","","4102.2","0.4","100","2","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H120 Li2 N4 O2 P4 Rh2 Si8 -","- C68 H120 Li2 N4 O2 P4 Rh2 Si8 -","- C136 H240 Li4 N8 O4 P8 Rh4 Si16 -","2","0.5","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","x-ray","0.71073","MoKα","","0.0744","0.0482","","","0.1176","0.1307","","","","","","1.052","","","","has coordinates,has disorder","261693","2021-02-04","23:18:57",""
"7705988","15.1347","0.0008","10.0758","0.0005","20.3672","0.001","90","","95.293","0.002","90","","3092.6","0.3","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 N2 P2 Rh Si4 -","- C24 H45 N2 P2 Rh Si4 -","- C96 H180 N8 P8 Rh4 Si16 -","4","1","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","x-ray","0.71073","MoKα","","0.0268","0.0231","","","0.0649","0.0667","","","","","","1.134","","","","has coordinates","261693","2021-02-04","23:18:57",""
"7705989","12.0577","0.0008","16.8079","0.0012","18.6727","0.0014","90","","90","","90","","3784.3","0.5","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 N2 P2 Rh Si4 -","- C32 H57 N2 P2 Rh Si4 -","- C128 H228 N8 P8 Rh4 Si16 -","4","1","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","","0.71073","MoKα","","0.0329","0.0281","","","0.0575","0.059","","","","","","1.067","","","","has coordinates","261693","2021-02-04","23:18:57",""
"7705990","10.3474","0.0006","16.4155","0.0012","25.8521","0.0018","90","","100.362","0.002","90","","4319.6","0.5","90","2","90.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H66 N2 P2 Rh2 Si4 -","- C40 H66 N2 P2 Rh2 Si4 -","- C160 H264 N8 P8 Rh8 Si16 -","4","1","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","x-ray","0.71073","MoKα","","0.0559","0.0333","","","0.0699","0.0779","","","","","","0.971","","","","has coordinates","261693","2021-02-04","23:18:57",""
"7705991","11.3155","0.0012","12.3073","0.0013","17.4753","0.0018","95.81","0.007","94.411","0.007","103.071","0.006","2345.9","0.4","90","","90","","","","","","","","","8","P -1","-P 1","2","","","","- C88 H128 Li2 N4 O2 P4 Rh2 Si8 -","- C88 H128 Li2 N4 O2 P4 Rh2 Si8 -","- C88 H128 Li2 N4 O2 P4 Rh2 Si8 -","1","0.5","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","","0.71073","MoKα","","0.0364","0.0293","","","0.0977","0.1066","","","","","","0.805","","","","has coordinates","261693","2021-02-04","23:18:57",""
"7705992","22.7581","0.0003","22.9065","0.0002","12.9867","0.0002","90","","114.458","0.001","90","","6162.56","0.14","170","","170.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H43 Eu3 O25 -","- C50 H43 Eu3 O25 -","- C200 H172 Eu12 O100 -","4","0.5","","Gao, Jin-Ping; Yao, Ru-Xin; Chen, Xiao-Hui; Li, Hui-Hui; Zhang, Chao; Zhang, Fu-Qiang; Zhang, Xian-Ming","Blue luminescent N,S-doped carbon dots encapsulated in red emissive Eu-MOF to form dually emissive composite for reversible anti-counterfeit ink.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1690","1696","10.1039/d0dt03048a","","","1.54184","CuKα","","0.0519","0.0496","","","0.1378","0.1398","","","","","","1.048","","","","has coordinates,has disorder","262627","2021-03-05","02:00:17",""
"7705993","7.136","0.0014","5.891","0.0012","9.029","0.0018","90","","90","","90","","379.56","0.13","293","2","293","2","","","","","","","","4","P m n a","-P 2ac 2","53","","manganese (II) oxalate half water","","- C4 H2 Mn2 O9 -","- C4 H2 Mn2 O9 -","- C8 H4 Mn4 O18 -","2","0.25","","Wu, Wen-Yuan; Tang, Tie-Huan; Li, Yi; Xu, Shuang","Versatile oxalato-bridging modes: a novel three-dimensional framework structure of manganese(ii) oxalate complex [MnC<sub>2</sub>O<sub>4</sub>]·0.5H<sub>2</sub>O and the relationship with other manganese(ii) oxalates.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","485","489","10.1039/d0dt03765f","","","0.71073","MoKα","","0.0359","0.0345","","","0.0981","0.0994","","","","","","1.198","","","","has coordinates","261672","2021-02-04","23:14:23",""
"7705994","13.1749","0.0002","13.2712","0.0002","13.8896","0.0002","90","","109.91","0.002","90","","2283.39","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","OAJVLB","","- C26 H29 I -","- C26 H29 I -","- C104 H116 I4 -","4","1","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","","0.0298","0.0255","","","0.062","0.0644","","","","","","1.024","","","","has coordinates","261687","2021-02-04","23:17:47",""
"7705995","8.3499","0.0002","34.7269","0.0007","13.4766","0.0003","90","","100.064","0.002","90","","3847.63","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KEWJMA","","- C22 H20 Cl I -","- C22 H20 Cl I -","- C176 H160 Cl8 I8 -","8","2","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","","0.0436","0.0399","","","0.1019","0.1055","","","","","","1.034","","","","has coordinates","261687","2021-02-04","23:17:47",""
"7705996","16.2343","0.0006","16.3983","0.0005","15.5748","0.0005","90","","115.087","0.004","90","","3755.1","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 F6 Li2 -","- C45.986 H40 F5.958 Li2 -","- C183.944 H160 F23.832 Li8 -","4","0.5","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0408","0.0369","","","0.0943","0.0979","","","","","","1.048","","","","has coordinates,has disorder","261687","2021-02-04","23:17:47",""
"7705997","11.7845","0.0005","13.7778","0.0006","16.2675","0.0008","69.756","0.004","85.404","0.004","64.756","0.004","2234.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H58 Li2 Si2 -","- C50 H58 Li2 Si2 -","- C100 H116 Li4 Si4 -","2","1","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","","0.0598","0.0482","","","0.1148","0.1212","","","","","","1.066","","","","has coordinates","261687","2021-02-04","23:17:47",""
"7705998","6.3663","0.0004","17.8142","0.0009","20.5558","0.0014","90","","96.86","0.006","90","","2314.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 I Si -","- C25 H29 I Si -","- C100 H116 I4 Si4 -","4","1","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","","0.0648","0.058","","","0.1477","0.1524","","","","","","1.054","","","","has coordinates","261687","2021-02-04","23:17:47",""
"7705999","12.1125","0.0011","16.8343","0.0014","19.642","0.0014","90","","103.471","0.009","90","","3894.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H47 Cl2 Li2 -","- C47 H47 Cl2 Li2 -","- C188 H188 Cl8 Li8 -","4","1","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","K-L~2,3~","0.1286","0.0705","","","0.1573","0.1945","","","","","","1.032","","","","has coordinates,has disorder","261687","2021-02-04","23:17:47",""
"7706000","11.9982","0.0004","15.2538","0.001","15.4697","0.0009","113.742","0.006","101.077","0.004","104.484","0.004","2368.3","0.3","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H58 Li2 -","- C52 H58 Li2 -","- C104 H116 Li4 -","2","1","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","","0.0548","0.0484","","","0.1327","0.1392","","","","","","1.029","","","","has coordinates,has disorder","261687","2021-02-04","23:17:47",""
"7706001","8.5106","0.0001","35.0225","0.0004","13.613","0.0001","90","","99.135","0.001","90","","4006.06","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 F3 I -","- C23 H20 F3 I -","- C184 H160 F24 I8 -","8","2","","Valentine, Andrew J.; Geer, Ana M.; Taylor, Laurence J.; Teale, Andrew M.; Wood, Katherine E.; Williams, Huw E. L.; Lewis, William; Argent, Stephen P.; McMaster, Jonathan; Kays, Deborah L.","Structural and electronic studies of substituted m-terphenyl lithium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","722","728","10.1039/d0dt03972a","","x-ray","1.54184","CuKα","","0.0465","0.045","","","0.0899","0.0905","","","","","","1.112","","","","has coordinates,has disorder","261687","2021-02-04","23:17:47",""
"7706002","9.3482","0.0003","9.4215","0.0002","25.8019","0.0008","90","","94.432","0.002","90","","2265.68","0.11","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl5 Fe N3 O2 -","- C19 H17 Cl5 Fe N3 O2 -","- C76 H68 Cl20 Fe4 N12 O8 -","4","1","","Rajnák, Cyril; Mičová, Romana; Moncoľ, Ján; Dlháň, Ľubor; Krüger, Christoph; Renz, Franz; Boča, Roman","Spin-crossover in an iron(III) complex showing a broad thermal hysteresis.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","472","475","10.1039/d0dt03610b","","","1.54186","CuKα","","0.0661","0.0414","","","0.0942","0.1053","","","","","","1.037","","","","has coordinates","261678","2021-02-04","23:15:46",""
"7706003","8.4121","0.0003","23.8983","0.0006","12.165","0.0004","90","","106.571","0.003","90","","2344.02","0.13","200","","200","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl4 Fe N4 O2 Se -","- C20 H17 Cl4 Fe N4 O2 Se -","- C80 H68 Cl16 Fe4 N16 O8 Se4 -","4","1","","Rajnák, Cyril; Mičová, Romana; Moncoľ, Ján; Dlháň, Ľubor; Krüger, Christoph; Renz, Franz; Boča, Roman","Spin-crossover in an iron(III) complex showing a broad thermal hysteresis.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","472","475","10.1039/d0dt03610b","","","1.54186","CuKα","","0.1049","0.0906","","","0.2388","0.2605","","","","","","1.105","","","","has coordinates","261678","2021-02-04","23:15:47",""
"7706004","8.3908","0.0002","22.2708","0.0006","12.687","0.0004","90","","103.222","0.002","90","","2307.97","0.11","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl4 Fe N4 O2 Se -","- C20 H17 Cl4 Fe N4 O2 Se -","- C80 H68 Cl16 Fe4 N16 O8 Se4 -","4","1","","Rajnák, Cyril; Mičová, Romana; Moncoľ, Ján; Dlháň, Ľubor; Krüger, Christoph; Renz, Franz; Boča, Roman","Spin-crossover in an iron(III) complex showing a broad thermal hysteresis.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","472","475","10.1039/d0dt03610b","","","1.54186","CuKα","","0.0812","0.067","","","0.1716","0.188","","","","","","1.056","","","","has coordinates","261678","2021-02-04","23:15:47",""
"7706005","7.35","0.002","14.101","0.005","14.224","0.003","90","","90","","90","","1474.2","0.7","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N4 Ni S4 -","- C9 H14 N4 Ni S4 -","- C36 H56 N16 Ni4 S16 -","4","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.","Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","612","623","10.1039/d0dt03204b","","x-ray","0.71073","MoKα","","0.0478","0.04","","","0.077","0.0811","","","","","","0.992","","","","has coordinates","261679","2021-02-04","23:15:54",""
"7706006","7.698","0.002","21.736","0.005","8.525","0.002","90","","90","","90","","1426.4","0.6","190","2","190","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H14 N4 Ni S4 -","- C9 H14 N4 Ni S4 -","- C36 H56 N16 Ni4 S16 -","4","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.","Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","612","623","10.1039/d0dt03204b","","x-ray","0.7107","MoKα","","0.0593","0.05","","","0.113","0.1193","","","","","","0.979","","","","has coordinates","261679","2021-02-04","23:16:05",""
"7706007","7.6588","0.0007","8.759","0.001","11.3774","0.0009","104.32","0.008","104.614","0.008","96.573","0.008","702.75","0.13","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N4 Ni S4 -","- C9 H14 N4 Ni S4 -","- C18 H28 N8 Ni2 S8 -","2","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.","Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","612","623","10.1039/d0dt03204b","","x-ray","1.54184","CuKα","","0.0499","0.0458","","","0.115","0.1196","","","","","","1.071","","","","has coordinates","261679","2021-02-04","23:16:10",""
"7706008","9.0771","0.0002","9.8592","0.0002","25.5079","0.0004","90","","93.45","0.002","90","","2278.64","0.08","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N4 Ni S4 -","- C21 H22 N4 Ni S4 -","- C84 H88 N16 Ni4 S16 -","4","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.","Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","612","623","10.1039/d0dt03204b","","x-ray","1.54184","CuKα","","0.049","0.0419","","","0.1058","0.1122","","","","","","1.06","","","","has coordinates","261679","2021-02-04","23:16:10",""
"7706011","15.5752","0.0006","15.6427","0.0005","16.7119","0.0007","102.235","0.003","103.995","0.003","115.029","0.003","3343.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H46 Cl2 N8 O12 Ru2 -","- C60 H46 Cl2 N8 O12 Ru2 -","- C120 H92 Cl4 N16 O24 Ru4 -","2","1","","Khan, Farheen Fatima; Mondal, Saikat; Chandra, Shubhadeep; Neuman, Nicolas I.; Sarkar, Biprajit; Lahiri, Goutam Kumar","On the non-innocence and reactive versus non-reactive nature of α-diketones in a set of diruthenium frameworks.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1106","1118","10.1039/d0dt03400b","","","0.71073","MoKα","","0.141","0.0914","","","0.2169","0.2586","","","","","","1.041","","","","has coordinates,has disorder","261705","2021-02-04","23:21:17",""
"7706012","13.6797","0.0007","10.7866","0.0006","19.9547","0.0014","90","","95.896","0.006","90","","2928.9","0.3","150","2","150","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C58 H44 Cl2 N12 O12 Ru2 -","- C58 H44 Cl2 N12 O12 Ru2 -","- C116 H88 Cl4 N24 O24 Ru4 -","2","0.5","","Khan, Farheen Fatima; Mondal, Saikat; Chandra, Shubhadeep; Neuman, Nicolas I.; Sarkar, Biprajit; Lahiri, Goutam Kumar","On the non-innocence and reactive versus non-reactive nature of α-diketones in a set of diruthenium frameworks.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1106","1118","10.1039/d0dt03400b","","","0.71073","MoKα","","0.1279","0.0797","","","0.1737","0.2082","","","","","","1.056","","","","has coordinates,has disorder","261705","2021-02-04","23:21:17",""
"7706017","7.6152","0.0004","15.4766","0.0008","16.639","0.0008","90","","97.326","0.001","90","","1945.02","0.17","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 B9 Ir O S -","- C14 H30 B9 Ir O S -","- C56 H120 B36 Ir4 O4 S4 -","4","1","","Vinogradov, Mikhail M.; Nesterov, Ivan D.; Nelyubina, Yulia V.; Pavlov, Alexander A.","Pathway bifurcations in the cage rearrangement of metallacarboranes: experimental and computational evidence.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","287","293","10.1039/d0dt03538f","","","0.71073","MoKα","","0.0352","0.0246","","","0.0509","0.0554","","","","","","1.032","","","","has coordinates","261644","2021-02-04","23:09:18",""
"7706018","7.7089","0.0009","15.4832","0.0018","17.075","0.002","90","","94.072","0.002","90","","2032.9","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H32 B9 Ir S -","- C15 H32 B9 Ir S -","- C60 H128 B36 Ir4 S4 -","4","1","","Vinogradov, Mikhail M.; Nesterov, Ivan D.; Nelyubina, Yulia V.; Pavlov, Alexander A.","Pathway bifurcations in the cage rearrangement of metallacarboranes: experimental and computational evidence.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","287","293","10.1039/d0dt03538f","","","0.71073","MoKα","","0.022","0.0185","","","0.0415","0.0426","","","","","","1.059","","","","has coordinates","261644","2021-02-04","23:09:19",""
"7706019","16.9917","0.0014","14.5337","0.0012","16.3704","0.0013","90","","99.389","0.002","90","","3988.5","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H32 B9 Ir S -","- C15 H32 B9 Ir S -","- C120 H256 B72 Ir8 S8 -","8","2","","Vinogradov, Mikhail M.; Nesterov, Ivan D.; Nelyubina, Yulia V.; Pavlov, Alexander A.","Pathway bifurcations in the cage rearrangement of metallacarboranes: experimental and computational evidence.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","287","293","10.1039/d0dt03538f","","","0.71073","MoKα","","0.0216","0.0166","","","0.0374","0.0399","","","","","","1.029","","","","has coordinates","261644","2021-02-04","23:09:19",""
"7706020","10.615","0.002","17.576","0.004","20.199","0.004","90","","90.71","0.03","90","","3768.2","1.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 Fe N2 Sc -","- C40 H42 Fe N2 Sc -","- C160 H168 Fe4 N8 Sc4 -","4","1","","Zhong, Yi; Li, Min; Deng, Meng; Gong, Mingliang; Xie, Hongzhen; Luo, Yunjie","Redox-controlled syndio-specific polymerization of styrene catalyzed by ferrocenyl functionalized half-sandwich scandium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","346","354","10.1039/d0dt03680c","","","0.71073","MoKα","","0.1073","0.085","","","0.2406","0.264","","","","","","1.243","","","","has coordinates","261645","2021-02-04","23:09:24",""
"7706021","10.6976","0.0009","10.731","0.0006","11.1962","0.0009","83.744","0.005","66.703","0.008","73.668","0.006","1132.85","0.17","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0435","0.0408","","","0.0892","0.0904","","","","","","1","","","","has coordinates","261703","2021-02-04","23:21:04",""
"7706022","10.7349","0.0003","10.7689","0.0002","11.1509","0.0004","83.873","0.002","66.744","0.003","74.512","0.002","1141.33","0.06","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","- C47 H36 Eu F9 N2 O6 -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0384","0.0357","","","0.0708","0.0715","","","","","","0.965","","","","has coordinates","261703","2021-02-04","23:21:04",""
"7706023","10.7328","0.0004","10.7633","0.0004","11.2076","0.0004","83.741","0.003","66.691","0.004","73.88","0.004","1142.29","0.08","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0416","0.0391","","","0.0718","0.0739","","","","","","1.023","","","","has coordinates","261703","2021-02-04","23:21:04",""
"7706024","10.6922","0.0007","10.7184","0.0009","11.1514","0.0008","83.872","0.007","66.808","0.006","74.017","0.007","1129.3","0.16","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","- C47 H36 F9 N2 O6 Sm -","1","1","","Cui, Minghui; Wang, Ai-Ling; Gao, Cong-Li; Zhou, Liming; Wu, Tao; Fang, Shaoming; Xiao, Hong-Ping; Li, Feng-Cai; Li, Xi-Li","Two homochiral Eu<sup>III</sup> and Sm<sup>III</sup> enantiomeric pairs showing circularly polarized luminescence, photoluminescence and triboluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1007","1018","10.1039/d0dt03576a","","","0.71073","MoKα","","0.0376","0.0369","","","0.077","0.0782","","","","","","1.038","","","","has coordinates","261703","2021-02-04","23:21:05",""
"7706025","11.1177","0.0015","8.6687","0.0011","16.8075","0.0017","90","","90","","90","","1619.8","0.3","150","2","150","2","","","","","","","","8","P m c 21","P 2c -2","26","[Mn(Py5OH)Cl]PF6","","","- C27 H21 Cl F6 Mn N5 O2 P -","- C27 H21 Cl F6 Mn N5 O2 P -","- C54 H42 Cl2 F12 Mn2 N10 O4 P2 -","2","0.5","","Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A.; Huang, Ping; Shylin, Sergii I.; Salhi, Nessima; Hossain, Md Kamal; Gupta, Arvind K.; Messinger, Johannes; Thapper, Anders; Lundberg, Marcus","Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","660","674","10.1039/d0dt03695a","","","0.71073","MoKα","","0.0807","0.0612","","","0.1501","0.1649","","","","","","0.989","","","","has coordinates","261668","2021-02-04","23:13:57",""
"7706026","37.274","0.01","10.132","0.003","25.879","0.007","90","","132.825","0.007","90","","7168","4","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(Py5OH)DMF]PF6","","","- C33 H35 Cl2 Fe N7 O12 -","- C33 H35 Cl2 Fe N7 O12 -","- C264 H280 Cl16 Fe8 N56 O96 -","8","1","","Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A.; Huang, Ping; Shylin, Sergii I.; Salhi, Nessima; Hossain, Md Kamal; Gupta, Arvind K.; Messinger, Johannes; Thapper, Anders; Lundberg, Marcus","Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","660","674","10.1039/d0dt03695a","","","0.71073","MoKα","","0.103","0.0743","","","0.211","0.2392","","","","","","1.063","","","","has coordinates","261668","2021-02-04","23:13:58",""
"7706027","8.6326","0.0005","22.3707","0.0016","16.5568","0.001","90","","90","","90","","3197.4","0.4","150","","150","","","","","","","","","8","A e m 2","A 2 -2b","39","[Ni(Py5OH)Cl]PF6","","","- C27 H21 Cl F6 N5 Ni O2 P -","- C27 H21 Cl F6 N5 Ni O2 P -","- C108 H84 Cl4 F24 N20 Ni4 O8 P4 -","4","0.5","","Boniolo, Manuel; Chernev, Petko; Cheah, Mun Hon; Heizmann, Philipp A.; Huang, Ping; Shylin, Sergii I.; Salhi, Nessima; Hossain, Md Kamal; Gupta, Arvind K.; Messinger, Johannes; Thapper, Anders; Lundberg, Marcus","Electronic and geometric structure effects on one-electron oxidation of first-row transition metals in the same ligand framework.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","660","674","10.1039/d0dt03695a","","","0.71073","MoKα","","0.0444","0.0362","","","0.0761","0.0797","","","","","","1.017","","","","has coordinates","261668","2021-02-04","23:13:58",""
"7706028","16.5157","0.0016","14.385","0.0014","17.7543","0.0014","90","","97.528","0.01","90","","4181.7","0.7","293","2","293.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C64 H76 Cl3 N16 O24 Th -","- C64 H76 Cl3 N16 O24 Th -","- C128 H152 Cl6 N32 O48 Th2 -","2","0.5","","Yang, Yanqiu; Lv, Lina; Liu, Yunnu; Chen, Baihua; Liu, Jun; Li, Xingliang; Luo, Shunzhong","Complexes of Th(IV) with neutral O-N-N-O hybrid ligands: a thermodynamic and crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","705","714","10.1039/d0dt03479g","","x-ray","0.71073","MoKα","","0.1249","0.0777","","","0.2046","0.2211","","","","","","1.019","","","","has coordinates","261677","2021-02-04","23:15:40",""
"7706029","23.4288","0.001","13.2281","0.0005","33.7824","0.0013","90","","93.028","0.001","90","","10455.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Cl4 N8 O22 Th -","- C38 H44 Cl4 N8 O22 Th -","- C304 H352 Cl32 N64 O176 Th8 -","8","1","","Yang, Yanqiu; Lv, Lina; Liu, Yunnu; Chen, Baihua; Liu, Jun; Li, Xingliang; Luo, Shunzhong","Complexes of Th(IV) with neutral O-N-N-O hybrid ligands: a thermodynamic and crystallographic study.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","705","714","10.1039/d0dt03479g","","","0.71073","MoKα","","0.0578","0.0454","","","0.1119","0.1186","","","","","","1.081","","","","has coordinates","261677","2021-02-04","23:15:40",""
"7706031","18.39707","0.00017","28.62469","0.00019","27.8172","0.0002","90","","109.188","0.001","90","","13835","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108.5 H102 Dy8 N17 O42 P5 -","- C108 H91 Dy8 N17 O37 P5 -","- C432 H364 Dy32 N68 O148 P20 -","4","1","","Tian, Haiquan; Huang, Fu-Ping; Li, Yongfei; Chen, Peiqiong; Chai, Keyu; Lu, Jing; Liu, Hou-Ting; Zeng, Suyuan; Li, Dacheng; Dou, Jianmin","Ring-forming transformation associated with hydrazone changes of hexadecanuclear dysprosium phosphonates.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1119","1125","10.1039/d0dt03536j","","","1.54184","CuKα","","0.0586","0.0452","","","0.1335","0.1477","","","","","","0.79","","","","has coordinates,has disorder","261694","2021-02-04","23:19:15",""
"7706032","32.1017","0.0003","32.1017","0.0003","19.7408","0.0004","90","","90","","90","","20343.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C82.5 H85 Dy4 N6 O29.5 P6 -","- C80 H69 Dy4 N6 O24 P6 -","- C640 H552 Dy32 N48 O192 P48 -","8","1","","Tian, Haiquan; Huang, Fu-Ping; Li, Yongfei; Chen, Peiqiong; Chai, Keyu; Lu, Jing; Liu, Hou-Ting; Zeng, Suyuan; Li, Dacheng; Dou, Jianmin","Ring-forming transformation associated with hydrazone changes of hexadecanuclear dysprosium phosphonates.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1119","1125","10.1039/d0dt03536j","","","0.71073","MoKα","","0.0911","0.0559","","","0.1498","0.2169","","","","","","0.876","","","","has coordinates,has disorder","261694","2021-02-04","23:19:15",""
"7706033","9.5787","0.0005","24.9549","0.0012","12.3331","0.0006","90","","96.935","0.002","90","","2926.5","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","NRN-174","","- C22 H36 N4 P2 Se2 -","- C22 H36 N4 P2 Se2 -","- C88 H144 N16 P8 Se8 -","4","1","","Naz, Nabila Rauf; Schnakenburg, Gregor; Kelemen, Zsolt; Gál, Dalma; Nyulászi, László; Boeré, René T; Streubel, Rainer","A rigid anionic Janus bis(NHC) - new opportunities in NHC chemistry.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","689","695","10.1039/d0dt03915b","","","0.71073","MoKα","","0.0472","0.0314","","","0.0707","0.0758","","","","","","1.014","","","","has coordinates","261671","2021-02-04","23:14:19",""
"7706034","16.4677","0.0007","9.3211","0.0004","23.993","0.0009","90","","90","","90","","3682.9","0.3","100","","100","","","","","","","","","8","P c a 21","P 2c -2ac","29","","NRN-272","","- C26 H42 F6 N4 O6 P2 S2 Se2 -","- C26 H42 F6 N4 O6 P2 S2 Se2 -","- C104 H168 F24 N16 O24 P8 S8 Se8 -","4","1","","Naz, Nabila Rauf; Schnakenburg, Gregor; Kelemen, Zsolt; Gál, Dalma; Nyulászi, László; Boeré, René T; Streubel, Rainer","A rigid anionic Janus bis(NHC) - new opportunities in NHC chemistry.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","689","695","10.1039/d0dt03915b","","","0.71073","MoKα","","0.0358","0.0298","","","0.0611","0.0632","","","","","","1.028","","","","has coordinates","261671","2021-02-04","23:14:19",""
"7706035","12.375","0.0005","15.3397","0.0004","23.4824","0.0008","90","","102.276","0.004","90","","4355.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 Mn2 O8 P2 -","- C46 H38 Mn2 O8 P2 -","- C184 H152 Mn8 O32 P8 -","4","1","","Liu, Yanjie; Tian, Rongqiang; Duan, Zheng; Mathey, François","Nonbenzenoid aromaticity of 1-phosphafulvenes: synthesis of phosphacymantrenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","476","479","10.1039/d0dt03934a","","x-ray","1.54184","CuKα","","0.0655","0.0453","","","0.1063","0.1152","","","","","","1.039","","","","has coordinates","261675","2021-02-04","23:15:17",""
"7706036","12.0038","0.0006","13.6029","0.0007","18.5921","0.001","102.356","0.003","97.645","0.003","113.816","0.003","2629.9","0.3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 Mn2 N3 O5 P3 -","- C59 H48 Mn2 N3 O5 P3 -","- C118 H96 Mn4 N6 O10 P6 -","2","1","","Liu, Yanjie; Tian, Rongqiang; Duan, Zheng; Mathey, François","Nonbenzenoid aromaticity of 1-phosphafulvenes: synthesis of phosphacymantrenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","476","479","10.1039/d0dt03934a","","","0.71073","MoKα","","0.1343","0.0746","","","0.1637","0.1823","","","","","","1.055","","","","has coordinates","261675","2021-02-04","23:15:17",""
"7706037","10.67365","0.00018","14.2261","0.0003","26.714","0.0005","90","","93.5276","0.0015","90","","4048.69","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H38 Mn2 O7 P2 -","- C45 H38 Mn2 O7 P2 -","- C180 H152 Mn8 O28 P8 -","4","1","","Liu, Yanjie; Tian, Rongqiang; Duan, Zheng; Mathey, François","Nonbenzenoid aromaticity of 1-phosphafulvenes: synthesis of phosphacymantrenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","476","479","10.1039/d0dt03934a","","x-ray","1.54184","CuKα","","0.0891","0.0536","","","0.1114","0.1232","","","","","","1.021","","","","has coordinates","261675","2021-02-04","23:15:18",""
"7706038","18.7464","0.0003","13.8241","0.0002","15.378","0.0002","90","","97.0866","0.0014","90","","3954.8","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Mn2 N2 O7 P2 -","- C42 H34 Mn2 N2 O7 P2 -","- C168 H136 Mn8 N8 O28 P8 -","4","1","","Liu, Yanjie; Tian, Rongqiang; Duan, Zheng; Mathey, François","Nonbenzenoid aromaticity of 1-phosphafulvenes: synthesis of phosphacymantrenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","476","479","10.1039/d0dt03934a","","x-ray","1.54184","CuKα","","0.0534","0.041","","","0.1006","0.1083","","","","","","1.042","","","","has coordinates","261675","2021-02-04","23:15:18",""
"7706039","15.6738","0.0003","9.62622","0.00018","24.7524","0.0005","90","","90.0503","0.0017","90","","3734.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 Mn2 N2 O5 P2 -","- C41 H32 Mn2 N2 O5 P2 -","- C164 H128 Mn8 N8 O20 P8 -","4","1","","Liu, Yanjie; Tian, Rongqiang; Duan, Zheng; Mathey, François","Nonbenzenoid aromaticity of 1-phosphafulvenes: synthesis of phosphacymantrenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","476","479","10.1039/d0dt03934a","","x-ray","0.71073","MoKα","","0.0634","0.0428","","","0.0918","0.1011","","","","","","1.021","","","","has coordinates","261675","2021-02-04","23:15:18",""
"7706040","19.5298","0.0015","12.4998","0.0008","15.231","0.002","90","","134.673","0.006","90","","2644.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H20 N4 O6 Zn -","- C33 H20 N4 O6 Zn -","- C132 H80 N16 O24 Zn4 -","4","0.5","","Han, Song-De; Liu, Ai-Ju; Xu, Fei; Xue, Zhen-Zhen; Pan, Jie; Wang, Guo-Ming","Metal-dependent photochromic performance in two isostructural supramolecular chains.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","546","552","10.1039/d0dt03929b","","","0.71073","MoKα","","0.0342","0.0269","","","0.0667","0.0698","","","","","","1.078","","","","has coordinates","261669","2021-02-04","23:14:05",""
"7706041","16.7923","0.001","23.8761","0.0013","13.5081","0.001","90","","93.367","0.006","90","","5406.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Cd N4 O6 -","- C33 H20 Cd N4 O6 -","- C264 H160 Cd8 N32 O48 -","8","2","","Han, Song-De; Liu, Ai-Ju; Xu, Fei; Xue, Zhen-Zhen; Pan, Jie; Wang, Guo-Ming","Metal-dependent photochromic performance in two isostructural supramolecular chains.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","546","552","10.1039/d0dt03929b","","","0.71073","MoKα","","0.0955","0.0412","","","0.0826","0.0959","","","","","","0.922","","","","has coordinates","261669","2021-02-04","23:14:05",""
"7706042","8.014","0.006","14.104","0.01","10.095","0.008","90","","94.207","0.011","90","","1138","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B Cu N6 -","- C9 H10 B Cu N6 -","- C36 H40 B4 Cu4 N24 -","4","1","","Wan, Yu-Mei; Zhang, Hai-Xia; Zhang, Jian","A Cu(I) based boron imidazolate framework for visible light driven CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","490","493","10.1039/d0dt02709j","","","0.71073","MoKα","","0.0557","0.0379","","","0.0941","0.1201","","","","","","1.087","","","","has coordinates","261670","2021-02-04","23:14:10",""
"7706043","12.987","0.015","9.232","0.011","13.131","0.016","90","","92.96","0.02","90","","1572","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl N2 O3 Re -","- C14 H16 Cl N2 O3 Re -","- C56 H64 Cl4 N8 O12 Re4 -","4","1","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.0426","0.0322","","","0.0752","0.0797","","","","","","1.036","","","","has coordinates","261701","2021-02-04","23:20:53",""
"7706044","13.0993","0.0005","9.2231","0.0004","13.0735","0.0005","90","","92.466","0.002","90","","1578.03","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Br N2 O3 Re -","- C14 H16 Br N2 O3 Re -","- C56 H64 Br4 N8 O12 Re4 -","4","1","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.0452","0.0323","","","0.0615","0.0665","","","","","","1.011","","","","has coordinates","261701","2021-02-04","23:20:53",""
"7706045","6.46","0.004","8.018","0.004","22.053","0.013","84.53","0.03","85.03","0.03","75.25","0.03","1097.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Cl2 N4 O6 Re2 -","- C40 H56 Cl2 N4 O6 Re2 -","- C40 H56 Cl2 N4 O6 Re2 -","1","0.5","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.0446","0.0349","","","0.0807","0.0828","","","","","","1.06","","","","has coordinates,has disorder","261701","2021-02-04","23:20:53",""
"7706046","37.124","0.01","8.127","0.002","12.214","0.004","90","","95.87","0.01","90","","3665.7","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Br N2 O3 Re -","- C16 H20 Br N2 O3 Re -","- C128 H160 Br8 N16 O24 Re8 -","8","1","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.026","0.0215","","","0.0539","0.055","","","","","","1.041","","","","has coordinates","261701","2021-02-04","23:20:53",""
"7706047","14.1835","0.001","9.7002","0.0007","12.7862","0.0009","90","","91.48","0.003","90","","1758.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl N2 O3 Re -","- C16 H20 Cl N2 O3 Re -","- C64 H80 Cl4 N8 O12 Re4 -","4","1","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.0397","0.0275","","","0.0619","0.081","","","","","","1.071","","","","has coordinates","261701","2021-02-04","23:20:53",""
"7706048","6.499","0.003","8.104","0.004","22.21","0.011","87.49","0.04","82.67","0.03","74.59","0.03","1118.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H56 Br2 N4 O6 Re2 -","- C40 H56 Br2 N4 O6 Re2 -","- C40 H56 Br2 N4 O6 Re2 -","1","0.5","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.0536","0.0381","","","0.0665","0.0695","","","","","","1.068","","","","has coordinates,has disorder","261701","2021-02-04","23:20:53",""
"7706049","6.5604","0.0005","8.0273","0.0005","24.7618","0.0019","96.463","0.003","94.773","0.003","103.929","0.002","1249.37","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H34 Br N2 O3 Re -","- C23 H34 Br N2 O3 Re -","- C46 H68 Br2 N4 O6 Re2 -","2","1","","Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.","Lipophilic Re(CO)<sub>3</sub>pyca complexes for Mid-IR imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1069","1075","10.1039/d0dt03743e","","","0.71073","MoKα","","0.017","0.0155","","","0.0373","0.0377","","","","","","1.02","","","","has coordinates","261701","2021-02-04","23:20:53",""
"7706050","11.6153","0.0001","23.5122","0.0002","19.4842","0.0002","90","","99.398","0.001","90","","5249.74","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H85 B2 Mg N3 O4 -","- C52.5 H85 B2 Mg N3 O4 -","- C210 H340 B8 Mg4 N12 O16 -","4","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.0835","0.0727","","","0.1934","0.2045","","","","","","1.038","","","","has coordinates,has disorder","261650","2021-02-04","23:10:13",""
"7706051","11.9955","0.0003","14.4571","0.0002","20.6837","0.0004","82.187","0.002","86.3","0.002","82.39","0.002","3518.42","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C76 H102 B Mg N6 O2 -","- C70 H88 B Mg N6 O2 -","- C140 H176 B2 Mg2 N12 O4 -","2","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.0586","0.0466","","","0.121","0.1295","","","","","","1.049","","","","has coordinates","261650","2021-02-04","23:10:14",""
"7706052","36.782","0.0006","15.5738","0.0002","19.0103","0.0003","90","","99.66","0.001","90","","10735.4","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H89 B2 Mg N3 O4 -","- C52.5 H89 B2 Mg N3 O4 -","- C420 H712 B16 Mg8 N24 O32 -","8","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.0652","0.0509","","","0.1311","0.1417","","","","","","1.022","","","","has coordinates,has disorder","261650","2021-02-04","23:10:14",""
"7706053","11.3884","0.0001","16.7959","0.0001","24.2385","0.0002","90","","95.336","0.001","90","","4616.21","0.06","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 B Mg N4 O2 -","- C51 H67 B Mg N4 O2 -","- C204 H268 B4 Mg4 N16 O8 -","4","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.045","0.0396","","","0.1028","0.1075","","","","","","1.042","","","","has coordinates","261650","2021-02-04","23:10:14",""
"7706054","11.7365","0.0002","12.6432","0.0003","16.8901","0.0004","90.694","0.002","108.261","0.002","105.976","0.002","2274.81","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H71 B Mg N4 O2 -","- C46.5 H71 B Mg N4 O2 -","- C93 H142 B2 Mg2 N8 O4 -","2","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.0437","0.0395","","","0.1041","0.1076","","","","","","1.036","","","","has coordinates,has disorder","261650","2021-02-04","23:10:14",""
"7706055","11.2114","0.0002","12.0585","0.0002","21.9245","0.0003","89.054","0.001","82.776","0.001","72.506","0.002","2803.79","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H88 B2 Mg N3 O4 -","- C55.55 H86.95 B2 Mg N3 O4 -","- C111.1 H173.9 B4 Mg2 N6 O8 -","2","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.0649","0.056","","","0.152","0.1615","","","","","","1.028","","","","has coordinates","261650","2021-02-04","23:10:14",""
"7706056","18.428","0.0005","13.0574","0.0003","27.8233","0.0009","90","","106.588","0.003","90","","6416.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H88 B Mg N5 O2 -","- C59 H74 B Mg N5 O2 -","- C236 H296 B4 Mg4 N20 O8 -","4","1","","Shere, Henry; Hill, Michael S.; Pécharman, Anne-Frédérique; Mahon, Mary F.","Reactivity of a magnesium diboranate with organic nitriles.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1283","1292","10.1039/d0dt04016a","","x-ray","1.54184","CuKα","","0.0887","0.0621","","","0.1665","0.1854","","","","","","0.986","","","","has coordinates","261650","2021-02-04","23:10:14",""
"7706057","13.8362","0.0011","7.5279","0.0006","14.227","0.0012","90","","90.895","0.007","90","","1481.7","0.2","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H24 Dy N4 Na O4 -","- C36 H24 Dy N4 Na O4 -","- C72 H48 Dy2 N8 Na2 O8 -","2","0.5","","Ma, Shuai; Zhang, Ting; Zhao, Jiong-Peng; Liu, Zhong-Yi; Liu, Fu-Chen","A magnetic site dilution approach to achieve bifunctional fluorescent thermometers and single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1307","1312","10.1039/d0dt04058d","","x-ray","0.71073","MoKα","","0.1825","0.0799","","","0.1682","0.2733","","","","","","1.034","","","","has coordinates","261667","2021-02-04","23:13:50",""
"7706058","13.824","0.003","7.4901","0.0015","14.298","0.003","90","","91.05","0.02","90","","1480.2","0.5","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C36 H24 Dy0.02 N4 Na O4 Y0.98 -","- C36 H24 Dy0.02 N4 Na O4 Y0.98 -","- C72 H48 Dy0.04 N8 Na2 O8 Y1.96 -","2","0.5","","Ma, Shuai; Zhang, Ting; Zhao, Jiong-Peng; Liu, Zhong-Yi; Liu, Fu-Chen","A magnetic site dilution approach to achieve bifunctional fluorescent thermometers and single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1307","1312","10.1039/d0dt04058d","","x-ray","0.71073","MoKα","","0.1477","0.0998","","","0.2145","0.2597","","","","","","1.008","","","","has coordinates","261667","2021-02-04","23:13:50",""
"7706064","14.4538","0.0004","19.9792","0.0004","28.2756","0.0006","90","","90","","90","","8165.3","0.3","110.1","0.2","110.1","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H107.62 Al2 Cl N4 O6.31 -","- C72 H107.626 Al2 Cl N4 O6.313 -","- C288 H430.504 Al8 Cl4 N16 O25.252 -","4","1","","Fish, Heather; Hart, Sam; Lamb, Katie J.; North, Michael; Quek, Sophie C. Z.; Whitwood, Adrian C.; Woods, Barnaby; Wu, Xiao","Structural analysis of five-coordinate aluminium(salen) complexes and its relationship to their catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","587","598","10.1039/d0dt03598j","","x-ray","0.71073","MoKα","","0.0607","0.047","","","0.1226","0.1322","","","","","","1.02","","","","has coordinates","261686","2021-02-04","23:17:31",""
"7706065","28.8956","0.0015","19.3068","0.0008","30.5515","0.0015","90","","90","","90","","17044.1","1.4","120","2","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C87 H136 N2 Nd2 O11 -","- C87 H136 N2 Nd2 O11 -","- C696 H1088 N16 Nd16 O88 -","8","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0617","0.0371","","","0.0769","0.0926","","","","","","1.116","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706066","9.824","0.002","15.246","0.004","16.151","0.004","62.587","0.006","81.046","0.007","78.095","0.007","2096.1","0.9","120","2","120.01","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H128 N2 O8 Yb2 -","- C89 H128 N2 O8 Yb2 -","- C89 H128 N2 O8 Yb2 -","1","0.5","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0639","0.0496","","","0.1146","0.1261","","","","","","1.051","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706067","9.84","0.0016","15.103","0.003","15.585","0.003","65.375","0.005","80.978","0.005","77.304","0.005","2048.5","0.7","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C89 H128 N2 O8 Y2 -","- C89 H128 N2 O8 Y2 -","- C89 H128 N2 O8 Y2 -","1","0.5","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0665","0.0501","","","0.1231","0.1306","","","","","","1.041","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706068","15.4179","0.0006","19.0726","0.0008","19.8412","0.0008","96.902","0.001","97.111","0.001","111.882","0.001","5284.1","0.4","120","2","120.06","","","","","","","","","6","P -1","-P 1","2","","","","- C154 H262 N2 O28 Sm2 Zn -","- C90 H134 N2 O12 Sm2 Zn -","- C180 H268 N4 O24 Sm4 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0574","0.0391","","","0.0999","0.1136","","","","","","1.017","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706069","28.9251","0.0015","19.4673","0.001","30.6233","0.0016","90","","90","","90","","17243.8","1.5","120","2","120.01","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C90 H136 La2 N2 O10 -","- C90.0038 H136 La2 N2 O10 -","- C720.03 H1088 La16 N16 O80 -","8","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0465","0.0375","","","0.083","0.0867","","","","","","1.109","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706070","15.652","0.002","19.351","0.003","20.081","0.003","96.633","0.004","97.8","0.004","111.422","0.004","5519","1.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H166 La2 N2 O16 Zn -","- C106 H166 La2 N2 O16 Zn -","- C212 H332 La4 N4 O32 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0681","0.0408","","","0.0925","0.1039","","","","","","1.045","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706071","13.7365","0.0007","18.4813","0.0009","23.8894","0.0011","111.217","0.002","97.959","0.002","102.216","0.002","5369.5","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C104 H164 N2 O14 Yb2 Zn -","- C104 H164 N2 O14 Yb2 Zn -","- C208 H328 N4 O28 Yb4 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0455","0.0326","","","0.0797","0.0882","","","","","","1.063","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706072","15.3715","0.0019","18.856","0.002","19.968","0.003","96.829","0.004","97.583","0.004","111.939","0.004","5231.7","1.2","120","2","119.99","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H166 N2 O16 Y2 Zn -","- C90 H132.857 N2 O12 Y2 Zn -","- C180 H265.714 N4 O24 Y4 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0892","0.0514","","","0.1237","0.1386","","","","","","1.036","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706073","17.271","0.008","17.417","0.008","17.976","0.008","108.994","0.012","93.29","0.014","90.941","0.014","5101","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H126 N2 Nd2 O14 Zn -","- C80 H126 N2 Nd2 O14 Zn -","- C160 H252 N4 Nd4 O28 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.2021","0.1306","","","0.3237","0.3946","","","","","","1.03","","","","has coordinates","261665","2021-02-04","23:13:37",""
"7706074","15.591","0.0008","19.2543","0.001","20.0408","0.001","96.615","0.002","97.694","0.002","111.723","0.002","5449.2","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C106 H166 N2 Nd2 O16 Zn -","- C106 H166 N2 Nd2 O16 Zn -","- C212 H332 N4 Nd4 O32 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.0631","0.0378","","","0.0888","0.1014","","","","","","1.068","","","","has coordinates,has disorder","261665","2021-02-04","23:13:37",""
"7706075","17.005","0.003","17.245","0.003","17.816","0.003","108.783","0.004","93.579","0.004","90.473","0.004","4934.5","1.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H126 N2 O14 Sm2 Zn -","- C80 H126 N2 O14 Sm2 Zn -","- C160 H252 N4 O28 Sm4 Zn2 -","2","1","","Yin, Kuan; Hua, Linyan; Qu, Liye; Yao, Quanyou; Wang, Yaorong; Yuan, Dan; You, Hongpeng; Yao, Yingming","Heterobimetallic rare earth metal-zinc catalysts for reactions of epoxides and CO<sub>2</sub> under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1453","1464","10.1039/d0dt03772a","","","0.71073","MoKα","","0.222","0.1063","","","0.2735","0.3316","","","","","","1.023","","","","has coordinates","261665","2021-02-04","23:13:37",""
"7706096","17.5508","0.0006","13.8259","0.0004","20.822","0.0006","90","","92.724","0.001","90","","5046.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H38.5 N12.5 Ni2 O10.5 -","- C47 H33.5 N12.5 Ni2 O10.5 -","- C188 H134 N50 Ni8 O42 -","4","1","","Zhang, Ying-Ying; Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Tan, Jing-Yi; Zhang, Na; Zhang, Jian-Yong; Liu, Zhen-Jiang","MOFs assembled from <i>C</i><sub>3</sub> symmetric ligands: structure, iodine capture and role as bifunctional catalysts towards the oxidation-Knoevenagel cascade reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","647","659","10.1039/d0dt03565c","","","0.71073","MoKα","","0.0702","0.0562","","","0.1825","0.1929","","","","","","1.05","","","","has coordinates","261682","2021-02-04","23:16:45",""
"7706097","10.144","0.002","26.077","0.005","15.602","0.003","90","","101.362","0.007","90","","4046.2","1.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 N12 Ni3 O19.5 -","- C54 H42 N12 Ni3 O18 -","- C108 H84 N24 Ni6 O36 -","2","0.5","","Zhang, Ying-Ying; Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Tan, Jing-Yi; Zhang, Na; Zhang, Jian-Yong; Liu, Zhen-Jiang","MOFs assembled from <i>C</i><sub>3</sub> symmetric ligands: structure, iodine capture and role as bifunctional catalysts towards the oxidation-Knoevenagel cascade reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","647","659","10.1039/d0dt03565c","","","0.71073","MoKα","","0.0624","0.0519","","","0.1408","0.146","","","","","","1.086","","","","has coordinates","261682","2021-02-04","23:16:45",""
"7706098","10.144","0.002","26.077","0.005","15.602","0.003","90","","101.362","0.007","90","","4046.2","1.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H45 N12 Ni3 O19.5 -","- C54 H42 N12 Ni3 O18 -","- C108 H84 N24 Ni6 O36 -","2","0.5","","Zhang, Ying-Ying; Liu, Qing; Zhang, Lin-Yan; Bao, Yu-Mei; Tan, Jing-Yi; Zhang, Na; Zhang, Jian-Yong; Liu, Zhen-Jiang","MOFs assembled from <i>C</i><sub>3</sub> symmetric ligands: structure, iodine capture and role as bifunctional catalysts towards the oxidation-Knoevenagel cascade reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","647","659","10.1039/d0dt03565c","","","0.71073","MoKα","","0.0622","0.0518","","","0.1487","0.1593","","","","","","0.591","","","","has coordinates","261682","2021-02-04","23:16:45",""
"7706099","8.2164","0.0006","22.0828","0.0017","8.6795","0.0008","90","","111.835","0.009","90","","1461.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Dy N3 O7 -","- C14 H10 Dy N3 O7 -","- C56 H40 Dy4 N12 O28 -","4","1","","Fang, Yu; Sun, Rong; Sun, Ai-Huan; Sun, Hao-Ling; Gao, Song","The construction of dynamic dysprosium-carboxylate ribbons by utilizing the hybrid-ligand conception.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1246","1252","10.1039/d0dt03589k","","x-ray","0.71073","MoKα","","0.073","0.0469","","","0.0676","0.0819","","","","","","1.023","","","","has coordinates","261656","2021-02-04","23:11:53",""
"7706100","8.0805","0.0006","10.8611","0.0009","11.6076","0.0008","65.48","0.008","84.719","0.006","85.527","0.006","922.02","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Dy N3 O7 -","- C17 H18 Dy N3 O7 -","- C34 H36 Dy2 N6 O14 -","2","1","","Fang, Yu; Sun, Rong; Sun, Ai-Huan; Sun, Hao-Ling; Gao, Song","The construction of dynamic dysprosium-carboxylate ribbons by utilizing the hybrid-ligand conception.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1246","1252","10.1039/d0dt03589k","","x-ray","1.54184","CuKα","","0.0872","0.0825","","","0.2336","0.2388","","","","","","1.066","","","","has coordinates","261656","2021-02-04","23:11:54",""
"7706101","8.227","0.0006","21.8694","0.0014","9.0571","0.0007","90","","114.008","0.009","90","","1488.6","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Dy N3 O7 -","- C14 H12 Dy N3 O7 -","- C56 H48 Dy4 N12 O28 -","4","1","","Fang, Yu; Sun, Rong; Sun, Ai-Huan; Sun, Hao-Ling; Gao, Song","The construction of dynamic dysprosium-carboxylate ribbons by utilizing the hybrid-ligand conception.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1246","1252","10.1039/d0dt03589k","","x-ray","0.71073","MoKα","","0.0602","0.0405","","","0.0656","0.0773","","","","","","1.035","","","","has coordinates","261656","2021-02-04","23:11:54",""
"7706120","10.8334","0.0003","28.3891","0.0008","13.0622","0.0004","90","","109.673","0.001","90","","3782.79","0.19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 N2 O P Sc Si2 -","- C37 H48 N2 O P Sc Si2 -","- C148 H192 N8 O4 P4 Sc4 Si8 -","4","1","","Ren, Wenhui; Liu, Hui; You, Fen; Mao, Pengjuan; So, Yat-Ming; Kang, Xiaohui; Shi, Xiaochao","Unsymmetrical diarylamido-based rare-earth alkyl complexes: their synthesis and catalytic performance in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1334","1343","10.1039/d0dt04040a","","","1.34138","GaKα","","0.0395","0.0323","","","0.0833","0.0882","","","","","","1.024","","","","has coordinates","261661","2021-02-04","23:12:38",""
"7706121","10.9957","0.0003","11.6568","0.0003","14.7462","0.0004","86.602","0.002","83.774","0.002","85.085","0.002","1869.65","0.09","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H52.5 N2 O2 S Si2 Y -","- C35 H52.254 N2 O2 S Si2 Y -","- C70 H104.508 N4 O4 S2 Si4 Y2 -","2","1","","Ren, Wenhui; Liu, Hui; You, Fen; Mao, Pengjuan; So, Yat-Ming; Kang, Xiaohui; Shi, Xiaochao","Unsymmetrical diarylamido-based rare-earth alkyl complexes: their synthesis and catalytic performance in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1334","1343","10.1039/d0dt04040a","","","1.34138","GaKα","","0.034","0.0315","","","0.0783","0.0803","","","","","","1.054","","","","has coordinates,has disorder","261661","2021-02-04","23:12:38",""
"7706122","10.899","0.0004","28.3514","0.0011","13.1599","0.0005","90","","109.864","0.001","90","","3824.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Lu N2 O P Si2 -","- C37 H48 Lu N2 O P Si2 -","- C148 H192 Lu4 N8 O4 P4 Si8 -","4","1","","Ren, Wenhui; Liu, Hui; You, Fen; Mao, Pengjuan; So, Yat-Ming; Kang, Xiaohui; Shi, Xiaochao","Unsymmetrical diarylamido-based rare-earth alkyl complexes: their synthesis and catalytic performance in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1334","1343","10.1039/d0dt04040a","","","0.71073","MoKα","","0.0247","0.019","","","0.0403","0.0425","","","","","","1.053","","","","has coordinates","261661","2021-02-04","23:12:38",""
"7706123","10.9462","0.0004","28.3973","0.001","13.2216","0.0004","90","","109.993","0.001","90","","3862.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 N2 O P Si2 Y -","- C37 H48 N2 O P Si2 Y -","- C148 H192 N8 O4 P4 Si8 Y4 -","4","1","","Ren, Wenhui; Liu, Hui; You, Fen; Mao, Pengjuan; So, Yat-Ming; Kang, Xiaohui; Shi, Xiaochao","Unsymmetrical diarylamido-based rare-earth alkyl complexes: their synthesis and catalytic performance in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1334","1343","10.1039/d0dt04040a","","","1.34138","GaKα","","0.0304","0.0272","","","0.0684","0.07","","","","","","1.06","","","","has coordinates","261661","2021-02-04","23:12:38",""
"7706127","10.0437","0.0004","17.3496","0.0007","14.6181","0.0006","90","","109.325","0.001","90","","2403.74","0.17","302","2","302","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Br2 Cl3 N2 Pd S2 -","- C22 H13 Br2 Cl3 N2 Pd S2 -","- C88 H52 Br8 Cl12 N8 Pd4 S8 -","4","1","","Luo, Qi; Zhang, Jing; Xia, Jiangbin","Developing strong NIR absorption materials through linear planar π-conjugated cyclopalladated complex dimers.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1344","1348","10.1039/d0dt03659e","","","0.71073","MoKα","","0.0323","0.0264","","","0.0632","0.0665","","","","","","1.03","","","","has coordinates","261666","2021-02-04","23:13:43",""
"7706128","9.1706","0.0004","10.5573","0.0005","14.991","0.0007","77.438","0.002","76.466","0.002","71.907","0.002","1324.73","0.11","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H40 Cl8 N4 O4 Pd2 S4 -","- C52 H40 Cl8 N4 O4 Pd2 S4 -","- C52 H40 Cl8 N4 O4 Pd2 S4 -","1","0.5","","Luo, Qi; Zhang, Jing; Xia, Jiangbin","Developing strong NIR absorption materials through linear planar π-conjugated cyclopalladated complex dimers.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1344","1348","10.1039/d0dt03659e","","","1.54178","CuKα","","0.045","0.044","","","0.1247","0.1257","","","","","","1.072","","","","has coordinates","261666","2021-02-04","23:13:44",""
"7706154","9.0836","0.0008","9.4719","0.0008","12.1265","0.001","67.642","0.002","70.658","0.002","64.713","0.002","854.51","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Dy O9 P3 -","- C12 H15 Dy O9 P3 -","- C24 H30 Dy2 O18 P6 -","2","1","","Yang, Ting-Hai; Wang, Shu-Fan; Lin, Chen-Lan; Wang, Xin; Zhu, Binglong; Wu, Dayu","Ionothermal synthesis of octahedral lanthanoid coordination networks exhibiting slow magnetization relaxation and efficient photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1293","1299","10.1039/d0dt03353g","","","0.71073","MoKα","","0.0257","0.0222","","","0.046","0.0472","","","","","","1.002","","","","has coordinates","261663","2021-02-04","23:12:50",""
"7706155","9.0404","0.0003","9.4303","0.0003","12.076","0.0004","67.768","0.001","70.814","0.002","64.98","0.001","845.93","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Ho O9 P3 -","- C12 H15 Ho O9 P3 -","- C24 H30 Ho2 O18 P6 -","2","1","","Yang, Ting-Hai; Wang, Shu-Fan; Lin, Chen-Lan; Wang, Xin; Zhu, Binglong; Wu, Dayu","Ionothermal synthesis of octahedral lanthanoid coordination networks exhibiting slow magnetization relaxation and efficient photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1293","1299","10.1039/d0dt03353g","","","0.71073","MoKα","","0.0187","0.0174","","","0.04","0.0407","","","","","","1.001","","","","has coordinates","261663","2021-02-04","23:12:50",""
"7706156","9.0909","0.0005","9.4752","0.0004","12.1186","0.0006","67.655","0.002","70.568","0.003","64.578","0.002","853.87","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 O9 P3 Tb -","- C12 H15 O9 P3 Tb -","- C24 H30 O18 P6 Tb2 -","2","1","","Yang, Ting-Hai; Wang, Shu-Fan; Lin, Chen-Lan; Wang, Xin; Zhu, Binglong; Wu, Dayu","Ionothermal synthesis of octahedral lanthanoid coordination networks exhibiting slow magnetization relaxation and efficient photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1293","1299","10.1039/d0dt03353g","","","0.71073","MoKα","","0.0402","0.0322","","","0.0628","0.0659","","","","","","1","","","","has coordinates","261663","2021-02-04","23:12:50",""
"7706157","10.56","0.003","11.022","0.003","12.84","0.004","103.61","0.008","110.496","0.007","96.519","0.008","1328.7","0.7","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Zhao, Xiao-Yang; Yang, Hui; Zhao, Wen-Yuan; Wang, Jia; Yang, Qi-Shan","A weakly luminescent Tb-MOF-based ""turn-on"" sensor for the highly selective and sensitive sensing of an anthrax biomarker.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1300","1306","10.1039/d0dt03906c","","","0.71073","MoKα","","0.0945","0.0534","","","0.0854","0.0959","","","","","","0.979","","","","has coordinates,has disorder","261649","2021-02-04","23:09:55",""
"7706158","9.7789","0.0003","15.2594","0.0004","15.3111","0.0004","79.397","0.002","80.251","0.002","86.321","0.002","2212","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H18 Ag2 Al2 Cl18 F72 O8 -","- C41 H18 Ag2 Al2 Cl18 F72 O8 -","- C41 H18 Ag2 Al2 Cl18 F72 O8 -","1","0.5","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","x-ray","0.71073","MoKα","","0.1189","0.0676","","","0.1583","0.1878","","","","","","1.034","","","","has coordinates,has disorder","262632","2021-03-05","02:01:51",""
"7706159","9.984","0.0004","13.2483","0.0004","15.0662","0.0004","86.439","0.002","87.425","0.003","79.209","0.003","1952.68","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H4 Ag Al Cl6 F36 O4 -","- C19 H4 Ag Al Cl6 F36 O4 -","- C38 H8 Ag2 Al2 Cl12 F72 O8 -","2","1","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","0.71073","MoKα","","0.0742","0.0614","","","0.1478","0.1569","","","","","","1.141","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706160","11.2034","0.0005","15.9579","0.0005","26.0862","0.0007","90","","101.111","0.004","90","","4576.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 Al Cl9 Cu F36 N3 O4 -","- C22 Al Cl9 Cu F36 N3 O4 -","- C88 Al4 Cl36 Cu4 F144 N12 O16 -","4","1","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","1.54184","CuKα","","0.1262","0.0867","","","0.2299","0.2776","","","","","","1.071","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706161","15.8763","0.0003","23.2524","0.0004","32.6565","0.0007","90","","94.58","0.002","90","","12017","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 Ag3 Al3 Cl18 F108 N6 O12 -","- C60 Ag3 Al3 Cl18 F108 N6 O12 -","- C240 Ag12 Al12 Cl72 F432 N24 O48 -","4","1","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","1.54184","CuKα","","0.0911","0.0654","","","0.1546","0.1722","","","","","","1.045","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706162","10.7624","0.0004","17.9916","0.0008","15.7057","0.0007","90","","98.206","0.004","90","","3010","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 Al Cu F36 O6 S -","- C16 Al Cu F36 O6 S -","- C64 Al4 Cu4 F144 O24 S4 -","4","1","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","1.54184","CuKα","","0.0986","0.0645","","","0.1478","0.1737","","","","","","1.021","","","","has coordinates","262632","2021-03-05","02:01:52",""
"7706163","18.5302","0.0005","19.5531","0.0006","33.2117","0.0009","90","","90.005","0.003","90","","12033.4","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C64 Al4 Cu4 F144 O20 S2 -","- C63.992 Al4 Cu4 F143.982 O19.998 S2 -","- C255.968 Al16 Cu16 F575.928 O79.992 S8 -","4","0.5","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","1.54184","CuKα","","0.0723","0.0657","","","0.1732","0.1836","","","","","","1.027","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706164","17.8865","0.0012","17.8859","0.0012","20.2655","0.0013","90.027","0.003","89.997","0.003","101.127","0.003","6361.4","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H2 Ag Al Cl2 F36 O4 -","- C17 H2 Ag Al Cl2 F36 O4 -","- C136 H16 Ag8 Al8 Cl16 F288 O32 -","8","4","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","0.71073","MoKα","","0.0317","0.0294","","","0.0695","0.0708","","","","","","1.037","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706165","10.3096","0.0001","10.3094","0.0001","25.3144","0.0004","86.042","0.001","86.063","0.001","83.493","0.001","2661.82","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H6 Al2 Cl6 Cu F55 O6 -","- C26.996 H6 Al2 Cl6 Cu F54.991 O5.999 -","- C53.992 H12 Al4 Cl12 Cu2 F109.982 O11.998 -","2","1","","Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo","Extending the chemistry of weakly basic ligands: solvates of Ag<sup>+</sup> and Cu<sup>+</sup> stabilized by [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup> anion as model examples in the screening of useful weakly interacting solvents.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2050","2056","10.1039/d0dt03437a","","","1.54184","CuKα","","0.0625","0.0614","","","0.1677","0.1691","","","","","","1.043","","","","has coordinates,has disorder","262632","2021-03-05","02:01:52",""
"7706167","9.18","0.03","14.48","0.05","14.83","0.05","100.39","0.05","104.09","0.05","99.42","0.05","1836","11","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H40 Mn N4 O6.5 Si -","- C33 H39 Mn N4 O6.5 Si -","- C66 H78 Mn2 N8 O13 Si2 -","2","1","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","x-ray","0.71073","MoKα","","0.24","0.0959","","","0.2472","0.3151","","","","","","0.906","","","","has coordinates","262634","2021-03-05","02:02:14",""
"7706168","9.116","0.003","13.297","0.004","15.131","0.004","106.695","0.007","98.167","0.008","95.093","0.007","1722.7","0.9","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H41 Mn N4 O6 Si -","- C34 H41 Mn N4 O6 Si -","- C68 H82 Mn2 N8 O12 Si2 -","2","1","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","x-ray","0.71073","MoKα","","0.1076","0.0597","","","0.1319","0.156","","","","","","1.026","","","","has coordinates,has disorder","262634","2021-03-05","02:02:14",""
"7706169","29.443","0.004","14.253","0.002","15.491","0.002","90","","99.57","0.004","90","","6410.3","1.5","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H72 Mn2 N6 O11 Si2 -","- C67 H69 Mn2 N6 O11 Si2 -","- C268 H276 Mn8 N24 O44 Si8 -","4","0.5","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","x-ray","0.71073","MoKα","","0.0826","0.0643","","","0.1483","0.1581","","","","","","1.064","","","","has coordinates","262634","2021-03-05","02:02:14",""
"7706170","13.7464","0.0017","11.1242","0.0014","15.5064","0.0019","90","","98.587","0.002","90","","2344.6","0.5","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Mn N3 O5 -","- C28 H24 Mn N3 O5 -","- C112 H96 Mn4 N12 O20 -","4","1","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","x-ray","0.71073","MoKα","","0.0394","0.0335","","","0.0804","0.0854","","","","","","1.05","","","","has coordinates","262634","2021-03-05","02:02:14",""
"7706171","9.181","0.003","9.845","0.003","17.095","0.006","94.855","0.006","102.083","0.006","115.96","0.005","1330.9","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Mn N3 O6 -","- C29 H28 Mn N3 O6 -","- C58 H56 Mn2 N6 O12 -","2","1","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","x-ray","0.71073","MoKα","","0.0294","0.0258","","","0.0654","0.0677","","","","","","1.027","","","","has coordinates","262634","2021-03-05","02:02:14",""
"7706172","9.879","0.004","12.369","0.004","14.629","0.005","69.652","0.007","87.876","0.007","71.709","0.007","1586.1","1","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H74 Mn2 N6 O21 -","- C60 H68 Mn2 N6 O20 -","- C60 H68 Mn2 N6 O20 -","1","0.5","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","x-ray","0.71073","MoKα","","0.0357","0.0302","","","0.0755","0.0789","","","","","","1.052","","","","has coordinates","262634","2021-03-05","02:02:14",""
"7706173","8.537","0.003","12.938","0.004","14.713","0.005","104.535","0.004","94.021","0.004","102.967","0.004","1519.1","0.9","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Mn N3 O5 Si -","- C30 H32 Mn N3 O5 Si -","- C60 H64 Mn2 N6 O10 Si2 -","2","1","","Gupta, Vijay; Laha, Biswajit; Khullar, Sadhika; Mandal, Sanjay K.","Deciphering supramolecular isomerization in coordination polymers: connected molecular squares <i>vs.</i> fused hexagons.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2221","2232","10.1039/d0dt04196c","","","0.71073","MoKα","","0.0492","0.0364","","","0.0828","0.0891","","","","","","1.051","","","","has coordinates","262634","2021-03-05","02:02:14",""
"7706174","12.8615","0.0009","13.3685","0.001","15.6695","0.0012","90","","99.248","0.002","90","","2659.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Mn N6 S2 -","- C30 H22 Mn N6 S2 -","- C120 H88 Mn4 N24 S8 -","4","1","","Ohmagari, Hitomi; Nakaya, Manabu; Tanaka, Kaisei; Zenno, Hikaru; Akiyoshi, Ryohei; Sekine, Yoshihiro; Zhang, Yingjie; Min, Kil Sik; Hasegawa, Miki; Lindoy, Leonard F.; Hayami, Shinya","Magnetism in a helicate complexes arising with the tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","494","498","10.1039/d0dt03990j","","x-ray","0.71075","MoKα","","0.1242","0.0866","","","0.1772","0.195","","","","","","1.071","","","","has coordinates","261688","2021-02-04","23:18:15",""
"7706175","13.077","0.015","13.726","0.015","15.62","0.018","90","","98.177","0.019","90","","2775","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Fe N6 Se2 -","- C30 H18 Fe N6 Se2 -","- C120 H72 Fe4 N24 Se8 -","4","0.5","","Ohmagari, Hitomi; Nakaya, Manabu; Tanaka, Kaisei; Zenno, Hikaru; Akiyoshi, Ryohei; Sekine, Yoshihiro; Zhang, Yingjie; Min, Kil Sik; Hasegawa, Miki; Lindoy, Leonard F.; Hayami, Shinya","Magnetism in a helicate complexes arising with the tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","494","498","10.1039/d0dt03990j","","","0.71075","MoKα","","0.1525","0.1008","","","0.2065","0.2346","","","","","","1.1974","","","","has coordinates,has disorder","261688","2021-02-04","23:18:15",""
"7706176","12.733","0.007","13.515","0.007","15.753","0.008","90","","99.241","0.008","90","","2676","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Fe N6 S2 -","- C30 H18 Fe N6 S2 -","- C120 H72 Fe4 N24 S8 -","4","0.5","","Ohmagari, Hitomi; Nakaya, Manabu; Tanaka, Kaisei; Zenno, Hikaru; Akiyoshi, Ryohei; Sekine, Yoshihiro; Zhang, Yingjie; Min, Kil Sik; Hasegawa, Miki; Lindoy, Leonard F.; Hayami, Shinya","Magnetism in a helicate complexes arising with the tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","494","498","10.1039/d0dt03990j","","","0.71075","MoKα","","0.098","0.0741","","","0.138","0.1507","","","","","","1.0889","","","","has coordinates,has disorder","261688","2021-02-04","23:18:15",""
"7706177","12.625","0.003","13.462","0.003","15.605","0.003","90","","99.03","0.03","90","","2619.3","1","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Co N6 S2 -","- C30 H18 Co N6 S2 -","- C120 H72 Co4 N24 S8 -","4","0.5","","Ohmagari, Hitomi; Nakaya, Manabu; Tanaka, Kaisei; Zenno, Hikaru; Akiyoshi, Ryohei; Sekine, Yoshihiro; Zhang, Yingjie; Min, Kil Sik; Hasegawa, Miki; Lindoy, Leonard F.; Hayami, Shinya","Magnetism in a helicate complexes arising with the tetradentate ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","494","498","10.1039/d0dt03990j","","","0.71074","MoKα","","0.0563","0.0516","","","0.141","0.1454","","","","","","1.0794","","","","has coordinates,has disorder","261688","2021-02-04","23:18:15",""
"7706178","14.2558","0.0014","16.0358","0.0016","18.3169","0.0019","109.526","0.005","101.604","0.004","98.201","0.004","3764.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H120 O6 Si -","- C82 H120 O6 Si -","- C164 H240 O12 Si2 -","2","1","","Kobayashi, Ryo; Ishida, Shintaro; Iwamoto, Takeaki","Cleavage of C-O and C-H bonds in ethers by a genuine Si[double bond, length as m-dash]O bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1413","1421","10.1039/d0dt04240d","","","1.54178","CuKα","","0.0851","0.0801","","","0.2363","0.2439","","","","","","1.056","","","","has coordinates,has disorder","261664","2021-02-04","23:13:04",""
"7706179","13.867","0.003","15.476","0.003","16.803","0.003","69.374","0.005","83.503","0.005","80.551","0.005","3323.1","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C148 H220 O12 Si2 -","- C148 H220 O12 Si2 -","- C148 H220 O12 Si2 -","1","0.5","","Kobayashi, Ryo; Ishida, Shintaro; Iwamoto, Takeaki","Cleavage of C-O and C-H bonds in ethers by a genuine Si[double bond, length as m-dash]O bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1413","1421","10.1039/d0dt04240d","","","0.71073","MoKα","","0.1528","0.0928","","","0.1873","0.2138","","","","","","1.064","","","","has coordinates,has disorder","261664","2021-02-04","23:13:05",""
"7706180","17.7199","0.0008","18.1911","0.0008","26.3896","0.0011","90","","99.456","0.001","90","","8391","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C83 H118 N2 O5 Si -","- C83 H118 N2 O5 Si -","- C332 H472 N8 O20 Si4 -","4","1","","Kobayashi, Ryo; Ishida, Shintaro; Iwamoto, Takeaki","Cleavage of C-O and C-H bonds in ethers by a genuine Si[double bond, length as m-dash]O bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1413","1421","10.1039/d0dt04240d","","","0.71073","MoKα","","0.126","0.0883","","","0.2174","0.2419","","","","","","1.024","","","","has coordinates","261664","2021-02-04","23:13:05",""
"7706187","6.2588","0.0001","19.4126","0.0004","12.9577","0.0003","90","","98.056","0.002","90","","1558.82","0.05","100.02","0.1","100.02","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Wu, Min; Yang, Dong-Dong; Zheng, Han-Wen; Liang, Qiong-Fang; Li, Jia-Bin; Kang, Yang; Li, Sai; Jiao, Chen; Zheng, Xiang-Jun; Jin, Lin-Pei","A multi-binding site hydrazone-based chemosensor for Zn(ii) and Cd(ii): a new strategy for the detection of metal ions in aqueous media based on aggregation-induced emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1507","1513","10.1039/d0dt04062b","","x-ray","1.54184","CuKα","","0.0434","0.0391","","","0.1021","0.1058","","","","","","1.066","","","","has coordinates","261654","2021-02-04","23:11:35",""
"7706188","10.5367","0.0003","18.9744","0.0005","12.6319","0.0004","90","","92.946","0.003","90","","2522.13","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H48 Cd2 N8 O8 -","- C58 H48 Cd2 N8 O8 -","- C116 H96 Cd4 N16 O16 -","2","0.5","","Wu, Min; Yang, Dong-Dong; Zheng, Han-Wen; Liang, Qiong-Fang; Li, Jia-Bin; Kang, Yang; Li, Sai; Jiao, Chen; Zheng, Xiang-Jun; Jin, Lin-Pei","A multi-binding site hydrazone-based chemosensor for Zn(ii) and Cd(ii): a new strategy for the detection of metal ions in aqueous media based on aggregation-induced emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1507","1513","10.1039/d0dt04062b","","x-ray","1.54184","CuKα","","0.0344","0.0297","","","0.072","0.0758","","","","","","1.063","","","","has coordinates","261654","2021-02-04","23:11:36",""
"7706189","12.4075","0.0006","11.7844","0.0007","23.102","0.0011","90","","90","","90","","3377.9","0.3","100","0.1","100","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H32 N4 O9 Zn -","- C38 H32 N4 O9 Zn -","- C152 H128 N16 O36 Zn4 -","4","0.5","","Wu, Min; Yang, Dong-Dong; Zheng, Han-Wen; Liang, Qiong-Fang; Li, Jia-Bin; Kang, Yang; Li, Sai; Jiao, Chen; Zheng, Xiang-Jun; Jin, Lin-Pei","A multi-binding site hydrazone-based chemosensor for Zn(ii) and Cd(ii): a new strategy for the detection of metal ions in aqueous media based on aggregation-induced emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1507","1513","10.1039/d0dt04062b","","x-ray","1.54184","CuKα","","0.0544","0.047","","","0.1332","0.1414","","","","","","1.062","","","","has coordinates","261654","2021-02-04","23:11:36",""
"7706197","7.4386","0.0002","7.4386","0.0002","13.733","0.002","90","","90","","90","","759.88","0.11","293","2","293","2","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.0883","0.0757","","","0.1881","0.1936","","","","","","1.201","","","","has coordinates,has disorder","261653","2021-02-04","23:11:24",""
"7706198","7.2533","0.0005","7.2533","0.0005","13.346","0.002","90","","90","","90","","702.14","0.13","99.9","0.5","99.9","0.5","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.1061","0.0815","","","0.2282","0.2448","","","","","","1.121","","","","has coordinates,has disorder","261653","2021-02-04","23:11:29",""
"7706199","7.4285","0.0007","7.4285","0.0007","13.648","0.003","90","","90","","90","","753.13","0.19","249.99","0.11","249.99","0.11","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.0825","0.068","","","0.2145","0.223","","","","","","1.125","","","","has coordinates,has disorder","261653","2021-02-04","23:11:29",""
"7706200","7.3121","0.0005","7.3121","0.0005","13.3878","0.0018","90","","90","","90","","715.8","0.12","95","1","95","1","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.0595","0.0561","","","0.1531","0.1554","","","","","","1.077","","","","has coordinates,has disorder","261653","2021-02-04","23:11:29",""
"7706201","19.42","","11.68","","23.943","","90","","95.5","","90","","5405.88","","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H60 B Fe N7 O -","- C65 H60 B Fe N7 O -","- C260 H240 B4 Fe4 N28 O4 -","4","1","","Chatterjee, Sayanti; Banerjee, Sridhar; Jana, Rahul Dev; Bhattacharya, Shrabanti; Chakraborty, Biswarup; Jannuzzi, Sergio Augusto Venturinelli","Tuning the stereoelectronic factors of iron(II)-2-aminophenolate complexes for the reaction with dioxygen: oxygenolytic C-C bond cleavage <i>vs</i>. oxidation of complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1901","1912","10.1039/d0dt03316b","","","0.71073","MoKα","","0.0507","0.0398","","","0.1018","0.1138","","","","","","1.081","","","","has coordinates","262622","2021-03-05","01:59:23",""
"7706202","20.8513","0.0014","12.2568","0.0008","29.446","0.002","90","","104.877","0.002","90","","7273.3","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 B Fe N7 O -","- C40 H42 B Fe N7 O -","- C320 H336 B8 Fe8 N56 O8 -","8","1","","Chatterjee, Sayanti; Banerjee, Sridhar; Jana, Rahul Dev; Bhattacharya, Shrabanti; Chakraborty, Biswarup; Jannuzzi, Sergio Augusto Venturinelli","Tuning the stereoelectronic factors of iron(II)-2-aminophenolate complexes for the reaction with dioxygen: oxygenolytic C-C bond cleavage <i>vs</i>. oxidation of complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1901","1912","10.1039/d0dt03316b","","","0.71073","MoKα","","0.0414","0.0382","","","0.1147","0.1173","","","","","","0.996","","","","has coordinates","262622","2021-03-05","01:59:24",""
"7706203","14.603","0.004","16.921","0.004","16.383","0.004","90","","97.263","0.009","90","","4015.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 B Fe N7 O -","- C44 H50 B Fe N7 O -","- C176 H200 B4 Fe4 N28 O4 -","4","1","","Chatterjee, Sayanti; Banerjee, Sridhar; Jana, Rahul Dev; Bhattacharya, Shrabanti; Chakraborty, Biswarup; Jannuzzi, Sergio Augusto Venturinelli","Tuning the stereoelectronic factors of iron(II)-2-aminophenolate complexes for the reaction with dioxygen: oxygenolytic C-C bond cleavage <i>vs</i>. oxidation of complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1901","1912","10.1039/d0dt03316b","","","0.71073","MoKα","","0.2641","0.0848","","","0.1774","0.2334","","","","","","0.861","","","","has coordinates","262622","2021-03-05","01:59:24",""
"7706204","12.557","0.003","12.557","","25.933","0.006","90","","90","","90","","4089.1","1.4","100","2","100","2","","","","","","","","4","P 41","P 4w","76","","","","- C25 H20 N6 O -","- C25 H20 N6 O -","- C200 H160 N48 O8 -","8","2","","Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","826","829","10.1039/d0dt04347h","","","0.71073","MoKα","","0.2387","0.1284","","","0.2852","0.3539","","","","","","1.033","","","","has coordinates","261700","2021-02-04","23:20:36",""
"7706205","17.9413","0.0011","17.9413","0.0011","42.212","0.002","90","","90","","90","","13587.6","1.3","100","2","100","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C44 H24 N10 Ni -","- C44 H24 N10 Ni -","- C704 H384 N160 Ni16 -","16","0.5","","Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","826","829","10.1039/d0dt04347h","","","0.71073","MoKα","","0.1089","0.0531","","","0.1009","0.1154","","","","","","0.989","","","","has coordinates","261700","2021-02-04","23:20:38",""
"7706206","7.9525","0.0011","10.8324","0.0015","12.7721","0.0019","69.282","0.008","75.267","0.009","83.931","0.009","995.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 N5 O2 Zn -","- C24 H15 N5 O2 Zn -","- C48 H30 N10 O4 Zn2 -","2","1","","Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","826","829","10.1039/d0dt04347h","","","0.71073","MoKα","","0.1511","0.0922","","","0.234","0.2727","","","","","","1.05","","","","has coordinates","261700","2021-02-04","23:20:41",""
"7706207","8.025","","28.235","","10.565","","90","","101.66","","90","","2344.48","","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Cl Cu N6 O5 -","- C25 H19 Cl Cu N6 O5 -","- C100 H76 Cl4 Cu4 N24 O20 -","4","1","","Gaire, Sanjay; Schrage, Briana R.; Nemykin, Victor N.; Ziegler, Christopher J.","1,3-Bis(pyridineylidene)isoindoline: an isoindoline chelate with a stretched electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","826","829","10.1039/d0dt04347h","","","0.71073","MoKα","","0.1248","0.0988","","","0.2303","0.2402","","","","","","1.072","","","","has coordinates","261700","2021-02-04","23:20:43",""
"7706208","11.0157","0.001","14.051","0.001","20.5785","0.0015","90","","92.719","0.007","90","","3181.6","0.4","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C112 H144 B80 -","8","2","","Ochi, Junki; Tanaka, Kazuo; Chujo, Yoshiki","Experimental proof for emission annihilation through bond elongation at the carbon-carbon bond in o-carborane with fused biphenyl-substituted compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1025","1033","10.1039/d0dt03618h","","","0.71075","MoKα","","0.088","0.0662","","","0.1424","0.1511","","","","","","1.107","","","","has coordinates,has disorder","261696","2021-02-04","23:19:39",""
"7706209","11.1424","0.0004","13.9931","0.0004","20.6658","0.0006","90","","92.798","0.007","90","","3218.3","0.18","83","2","83","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 B10 -","- C14 H18 B10 -","- C112 H144 B80 -","8","2","","Ochi, Junki; Tanaka, Kazuo; Chujo, Yoshiki","Experimental proof for emission annihilation through bond elongation at the carbon-carbon bond in o-carborane with fused biphenyl-substituted compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1025","1033","10.1039/d0dt03618h","","","0.71075","MoKα","","0.0766","0.0599","","","0.1334","0.141","","","","","","1.104","","","","has coordinates","261696","2021-02-04","23:19:39",""
"7706210","19.5728","0.0003","25.8266","0.0003","14.1712","0.0002","90","","121.729","0.002","90","","6092.9","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H100 B4 Mg O5 P2 Si4 -","- C42 H92 B4 Mg O4 P2 Si4 -","- C168 H368 B16 Mg4 O16 P8 Si16 -","4","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","1.54178","CuKα","","0.0373","0.0342","","","0.0937","0.0959","","","","","","1.054","","","","has coordinates","261695","2021-02-04","23:19:32",""
"7706211","13.2927","0.0005","11.0851","0.0004","23.186","0.0009","90","","91.103","0.004","90","","3415.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H116 B4 Mg O7 P2 Si4 -","- C54 H116 B4 Mg O7 P2 Si4 -","- C108 H232 B8 Mg2 O14 P4 Si8 -","2","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","0.71073","MoKα","","0.0562","0.0344","","","0.0822","0.0861","","","","","","0.97","","","","has coordinates,has disorder","261695","2021-02-04","23:19:32",""
"7706212","11.1332","0.0007","11.8801","0.001","15.3074","0.0013","71.516","0.007","85.08","0.006","70.545","0.007","1810.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H124 B4 Mg O8 P2 Si4 -","- C58 H124 B4 Mg O8 P2 Si4 -","- C58 H124 B4 Mg O8 P2 Si4 -","1","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","0.71073","MoKα","","0.0556","0.0425","","","0.0979","0.1079","","","","","","1.035","","","","has coordinates,has disorder","261695","2021-02-04","23:19:32",""
"7706213","16.342","0.01","12.08","0.007","30.005","0.019","90","","90","","90","","5923","6","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H92 B4 O4 P2 Si4 Sr -","- C42 H92 B4 O4 P2 Si4 Sr -","- C168 H368 B16 O16 P8 Si16 Sr4 -","4","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","0.6889","synchrotron","","0.168","0.0767","","","0.1653","0.2032","","","","","","1.024","","","","has coordinates,has disorder","261695","2021-02-04","23:19:32",""
"7706214","15.9886","0.0005","11.9737","0.0004","29.3298","0.0008","90","","90","","90","","5615","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H92 B4 Ca O4 P2 Si4 -","- C42 H92 B4 Ca O4 P2 Si4 -","- C168 H368 B16 Ca4 O16 P8 Si16 -","4","0.5","","Izod, Keith; Watson, James M.; Harrington, Ross W.; Clegg, William","Phosphido-bis(borane) complexes of the alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","1019","1024","10.1039/d0dt03895d","","","0.71073","MoKα","","0.0866","0.0391","","","0.084","0.0905","","","","","","0.884","","","","has coordinates,has disorder","261695","2021-02-04","23:19:32",""
"7706215","13.4965","0.0006","14.0075","0.0007","32.2487","0.0011","91.811","0.003","99.556","0.003","106.631","0.004","5740.4","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H162 Mo24 N32 Ni3 O98 P2 S16 -","- C118 H162 Mo24 N32 Ni3 O98 P2 S16 -","- C118 H162 Mo24 N32 Ni3 O98 P2 S16 -","1","0.5","","Li, Jie; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Assembly of polyoxometalate-thiacalix[4]arene-based inorganic-organic hybrids as efficient catalytic oxidation desulfurization catalysts.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1349","1356","10.1039/d0dt04097e","","","0.71073","MoKα","","0.1452","0.0749","","","0.1725","0.2224","","","","","","1.03","","","","has coordinates","261655","2021-02-04","23:11:47",""
"7706216","30.4234","0.0011","12.8113","0.0005","25.0925","0.0009","90","","90.597","0.003","90","","9779.6","0.6","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H72 Ag3 Mo12 N16 O44 P S8 -","- C56 H72 Ag3 Mo12 N16 O44 P S8 -","- C224 H288 Ag12 Mo48 N64 O176 P4 S32 -","4","0.5","","Li, Jie; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Assembly of polyoxometalate-thiacalix[4]arene-based inorganic-organic hybrids as efficient catalytic oxidation desulfurization catalysts.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1349","1356","10.1039/d0dt04097e","","","0.71073","MoKα","","0.1238","0.0879","","","0.1565","0.1729","","","","","","1.124","","","","has coordinates","261655","2021-02-04","23:11:47",""
"7706217","13.5204","0.0005","14.1184","0.0005","32.4331","0.0012","92.065","0.003","99.761","0.003","106.404","0.003","5830","0.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C118 H156 N32 Ni3 O98 P2 S16 W24 -","- C118 H156 N32 Ni3 O98 P2 S16 W24 -","- C118 H156 N32 Ni3 O98 P2 S16 W24 -","1","0.5","","Li, Jie; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Assembly of polyoxometalate-thiacalix[4]arene-based inorganic-organic hybrids as efficient catalytic oxidation desulfurization catalysts.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1349","1356","10.1039/d0dt04097e","","","0.71073","MoKα","","0.1207","0.063","","","0.1227","0.1549","","","","","","1.015","","","","has coordinates","261655","2021-02-04","23:11:47",""
"7706218","8.7338","0.0005","12.7784","0.0009","21.269","0.0019","73.111","0.007","84.39","0.006","76.799","0.005","2210","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H70 Ca3 N4 O16 -","- C86 H70 Ca3 N4 O16 -","- C86 H70 Ca3 N4 O16 -","1","0.5","","Wang, Ying-Xia; Wang, Hui-Min; Meng, Pan; Song, Dong-Xia; Hou, Juan-Juan; Zhang, Xian-Ming","An uncoordinated tertiary nitrogen based tricarboxylate calcium network with Lewis acid-base dual catalytic sites for cyanosilylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1740","1745","10.1039/d0dt03747h","","x-ray","0.71073","MoKα","","0.1374","0.0906","","","0.2329","0.2637","","","","","","0.959","","","","has coordinates,has disorder","262613","2021-03-05","01:56:54",""
"7706219","5.5976","0.0006","15.2435","0.0016","20.009","0.002","69.029","0.01","87.551","0.009","88.214","0.008","1592.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cu3 N9 S3 -","- C30 H30 Cu3 N9 S3 -","- C60 H60 Cu6 N18 S6 -","2","1","","Zhan, Shun-Ze; Chen, Wei; Zheng, Ji; Ng, Seik Weng; Li, Dan","Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned by intertrimeric CuN<sub>Py</sub> weak coordination bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1733","1739","10.1039/d0dt03661g","","","0.71073","MoKα","","0.1534","0.0918","","","0.1677","0.1956","","","","","","1.083","","","","has coordinates","262628","2021-03-05","02:00:26",""
"7706220","11.7467","0.0008","14.2967","0.0011","14.4607","0.0011","117.989","0.008","93.212","0.006","111.492","0.007","1917","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Cu3 N9 S3 -","- C38 H40 Cu3 N9 S3 -","- C76 H80 Cu6 N18 S6 -","2","1","","Zhan, Shun-Ze; Chen, Wei; Zheng, Ji; Ng, Seik Weng; Li, Dan","Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned by intertrimeric CuN<sub>Py</sub> weak coordination bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1733","1739","10.1039/d0dt03661g","","","0.71073","MoKα","","0.1159","0.0757","","","0.1881","0.2101","","","","","","1.088","","","","has coordinates","262628","2021-03-05","02:00:26",""
"7706221","10.063","0.0003","12.0715","0.0003","14.8898","0.0004","102.747","0.002","97.489","0.002","93.497","0.002","1741.57","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cu3 N9 O S3 -","- C30 H30 Cu3 N9 S3 -","- C60 H60 Cu6 N18 S6 -","2","1","","Zhan, Shun-Ze; Chen, Wei; Zheng, Ji; Ng, Seik Weng; Li, Dan","Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned by intertrimeric CuN<sub>Py</sub> weak coordination bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1733","1739","10.1039/d0dt03661g","","","0.71073","MoKα","","0.0369","0.0287","","","0.066","0.0697","","","","","","1.03","","","","has coordinates","262628","2021-03-05","02:00:26",""
"7706222","10.7852","0.0009","11.6669","0.0009","16.0438","0.0014","99.756","0.007","91.267","0.007","115.76","0.008","1781.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cu3 N9 O S3 -","- C32 H36 Cu3 N9 O S3 -","- C64 H72 Cu6 N18 O2 S6 -","2","1","","Zhan, Shun-Ze; Chen, Wei; Zheng, Ji; Ng, Seik Weng; Li, Dan","Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned by intertrimeric CuN<sub>Py</sub> weak coordination bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1733","1739","10.1039/d0dt03661g","","","0.71073","MoKα","","0.1419","0.07","","","0.1035","0.1301","","","","","","1.007","","","","has coordinates","262628","2021-03-05","02:00:26",""
"7706223","10.0679","0.0003","12.141","0.0004","14.9936","0.0005","103.592","0.003","98.639","0.003","92.783","0.003","1754.48","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H34 Cu3 N9 S3 -","- C33.5 H34 Cu3 N9 S3 -","- C67 H68 Cu6 N18 S6 -","2","1","","Zhan, Shun-Ze; Chen, Wei; Zheng, Ji; Ng, Seik Weng; Li, Dan","Luminescent polymorphic aggregates of trinuclear Cu(I)-pyrazolate tuned by intertrimeric CuN<sub>Py</sub> weak coordination bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1733","1739","10.1039/d0dt03661g","","","0.71073","MoKα","","0.0337","0.0285","","","0.0689","0.0716","","","","","","1.036","","","","has coordinates,has disorder","262628","2021-03-05","02:00:26",""
"7706224","10.6523","0.0004","27.2163","0.0009","16.1957","0.0006","90","","101.297","0.001","90","","4604.4","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H34 F6 Fe N O P3 Pd -","- C43 H34 F6 Fe N O P3 Pd -","- C172 H136 F24 Fe4 N4 O4 P12 Pd4 -","4","1","","Rivas, Feriannys; Medeiros, Andrea; Quiroga, Cristina; Benítez, Diego; Comini, Marcelo; Rodríguez-Arce, Esteban; Machado, Ignacio; Cerecetto, Hugo; Gambino, Dinorah","New Pd-Fe ferrocenyl antiparasitic compounds with bioactive 8-hydroxyquinoline ligands: a comparative study with their Pt-Fe analogues.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1651","1665","10.1039/d0dt03963b","","","0.71073","MoKα","","0.044","0.0376","","","0.088","0.0929","","","","","","1.093","","","","has coordinates,has disorder","262611","2021-03-05","01:56:41",""
"7706225","11.9767","0.0005","36.8096","0.0016","9.6399","0.0004","90","","110.311","0.002","90","","3985.6","0.3","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C43 H32 Cl2 F6 Fe N O P3 Pd -","- C43 H32 Cl2 F6 Fe N O P3 Pd -","- C172 H128 Cl8 F24 Fe4 N4 O4 P12 Pd4 -","4","1","","Rivas, Feriannys; Medeiros, Andrea; Quiroga, Cristina; Benítez, Diego; Comini, Marcelo; Rodríguez-Arce, Esteban; Machado, Ignacio; Cerecetto, Hugo; Gambino, Dinorah","New Pd-Fe ferrocenyl antiparasitic compounds with bioactive 8-hydroxyquinoline ligands: a comparative study with their Pt-Fe analogues.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1651","1665","10.1039/d0dt03963b","","","1.54178","CuKα","","0.0284","0.0255","","","0.0616","0.0632","","","","","","1.02","","","","has coordinates,has disorder","262611","2021-03-05","01:56:41",""
"7706226","12.1289","0.0002","36.994","0.0007","9.7312","0.0002","90","","110.721","0.001","90","","4083.92","0.14","298","2","298","3","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C43 H31 Cl F6 Fe I N O P3 Pd -","- C43 H31 Cl F6 Fe I N O P3 Pd -","- C172 H124 Cl4 F24 Fe4 I4 N4 O4 P12 Pd4 -","4","1","","Rivas, Feriannys; Medeiros, Andrea; Quiroga, Cristina; Benítez, Diego; Comini, Marcelo; Rodríguez-Arce, Esteban; Machado, Ignacio; Cerecetto, Hugo; Gambino, Dinorah","New Pd-Fe ferrocenyl antiparasitic compounds with bioactive 8-hydroxyquinoline ligands: a comparative study with their Pt-Fe analogues.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1651","1665","10.1039/d0dt03963b","","","1.54178","CuKα","","0.0351","0.0312","","","0.0744","0.0763","","","","","","1.094","","","","has coordinates,has disorder","262611","2021-03-05","01:56:41",""
"7706227","9.7334","0.0019","21.183","0.004","10.197","0.002","90","","117.947","0.004","90","","1857.3","0.6","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B10 -","- C16 H22 B10 -","- C64 H88 B40 -","4","1","","Ge, Yixiu; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Pd-Catalyzed sequential B(3)-I/B(4)-H bond activation for the synthesis of 3,4-benzo-<i>o</i>-carboranes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1766","1773","10.1039/d0dt03740k","","","0.71073","MoKα","","0.089","0.049","","","0.1147","0.1332","","","","","","1.011","","","","has coordinates","262626","2021-03-05","02:00:10",""
"7706228","12.911","0.002","15.49","0.003","26.271","0.004","96.1","0.003","90.51","0.003","112.747","0.003","4810.7","1.4","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H62 B10 -","- C46 H62 B10 -","- C184 H248 B40 -","4","2","","Ge, Yixiu; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Pd-Catalyzed sequential B(3)-I/B(4)-H bond activation for the synthesis of 3,4-benzo-<i>o</i>-carboranes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1766","1773","10.1039/d0dt03740k","","","0.71073","MoKα","","0.1856","0.0831","","","0.2159","0.2827","","","","","","0.978","","","","has coordinates,has disorder","262626","2021-03-05","02:00:10",""
"7706229","11.3473","0.001","15.2698","0.0014","17.5705","0.0016","85.718","0.002","75.442","0.002","76.838","0.002","2868.8","0.5","130","","130","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 B10 -","- C30 H30 B10 -","- C120 H120 B40 -","4","2","","Ge, Yixiu; Zhang, Jie; Qiu, Zaozao; Xie, Zuowei","Pd-Catalyzed sequential B(3)-I/B(4)-H bond activation for the synthesis of 3,4-benzo-<i>o</i>-carboranes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1766","1773","10.1039/d0dt03740k","","","0.71073","MoKα","","0.1101","0.0599","","","0.1313","0.1555","","","","","","0.998","","","","has coordinates","262626","2021-03-05","02:00:10",""
"7706230","8.473","0.011","20.53","0.03","17.43","0.02","90","","103.324","0.015","90","","2950","7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N22 Ni4 O4 -","- C44 H54 N22 Ni4 O4 -","- C88 H108 N44 Ni8 O8 -","2","0.5","","Mudoi, Prashurya Pritam; Sarma, Bipul; Choudhury, Anup; Gogoi, Nayanmoni","Evidence of protonation induced intra-molecular metal-to-metal charge transfer in a highly symmetric cyanido bridged {Fe<sub>2</sub>Ni<sub>2</sub>} molecular square.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2057","2066","10.1039/d0dt02826f","","","0.71073","MoKα","","0.1062","0.0561","","","0.1394","0.1646","","","","","","1.021","","","","has coordinates","262635","2021-03-05","02:02:23",""
"7706231","28.33","0.1","13.73","0.04","26.51","0.08","90","","105.62","0.06","90","","9931","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H92 Fe2 N30 Ni2 O10 -","- C80 H92 Fe2 N30 Ni2 O10 -","- C320 H368 Fe8 N120 Ni8 O40 -","4","0.5","","Mudoi, Prashurya Pritam; Sarma, Bipul; Choudhury, Anup; Gogoi, Nayanmoni","Evidence of protonation induced intra-molecular metal-to-metal charge transfer in a highly symmetric cyanido bridged {Fe<sub>2</sub>Ni<sub>2</sub>} molecular square.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2057","2066","10.1039/d0dt02826f","","","0.71073","MoKα","","0.1942","0.0804","","","0.1814","0.2414","","","","","","0.924","","","","has coordinates,has disorder","262635","2021-03-05","02:02:24",""
"7706232","10.5897","0.0005","11.6576","0.0005","17.2621","0.0007","77.761","0.002","77.184","0.002","87.782","0.002","2030.62","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H94 B2 Cl2 N14 Ni2 -","- C84 H94 B2 Cl2 N14 Ni2 -","- C84 H94 B2 Cl2 N14 Ni2 -","1","0.5","","Mudoi, Prashurya Pritam; Sarma, Bipul; Choudhury, Anup; Gogoi, Nayanmoni","Evidence of protonation induced intra-molecular metal-to-metal charge transfer in a highly symmetric cyanido bridged {Fe<sub>2</sub>Ni<sub>2</sub>} molecular square.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2057","2066","10.1039/d0dt02826f","","","0.71073","MoKα","","0.0708","0.0418","","","0.1244","0.1489","","","","","","0.94","","","","has coordinates","262635","2021-03-05","02:02:24",""
"7706233","8.5057","0.0006","15.5308","0.0011","9.3697","0.0007","90","","101.896","0.003","90","","1211.16","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Ce N7 O10 -","- C19 H24 Ce N7 O10 -","- C38 H48 Ce2 N14 O20 -","2","1","","Pilichos, E.; Font-Bardia, M; Escuer, A.; Mayans, J.","Structural and magnetic studies of mononuclear lanthanide complexes derived from N-rich chiral Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1746","1753","10.1039/d0dt04224b","","","0.71073","MoKα","","0.0235","0.0204","","","0.0374","0.0395","","","","","","1.091","","","","has coordinates","262621","2021-03-05","01:59:11",""
"7706234","9.5045","0.0008","11.4086","0.0012","11.6637","0.0011","108.073","0.003","90.811","0.003","92.02","0.004","1201.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Dy N7 O20 -","- C19 H24 Dy N7 O10 -","- C38 H48 Dy2 N14 O20 -","2","1","","Pilichos, E.; Font-Bardia, M; Escuer, A.; Mayans, J.","Structural and magnetic studies of mononuclear lanthanide complexes derived from N-rich chiral Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1746","1753","10.1039/d0dt04224b","","","0.71073","MoKα","","0.0601","0.0402","","","0.0803","0.0937","","","","","","1.172","","","","has coordinates,has disorder","262621","2021-03-05","01:59:11",""
"7706235","9.558","0.0009","11.4587","0.001","11.6652","0.001","108.182","0.003","90.985","0.003","91.903","0.003","1212.63","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H24 Gd N7 O10 -","- C19 H24 Gd N7 O10 -","- C38 H48 Gd2 N14 O20 -","2","2","","Pilichos, E.; Font-Bardia, M; Escuer, A.; Mayans, J.","Structural and magnetic studies of mononuclear lanthanide complexes derived from N-rich chiral Schiff bases.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1746","1753","10.1039/d0dt04224b","","","0.71073","MoKα","","0.019","0.0183","","","0.0429","0.0434","","","","","","1.04","","","","has coordinates","262621","2021-03-05","01:59:11",""
"7706236","9.9965","0.0008","10.3489","0.0008","28.541","0.003","100.401","0.007","93.628","0.009","96.455","0.006","2875.1","0.4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H92 Cl N2 O2 P2 Si Ti -","- C57 H92 Cl N2 O2 P2 Si Ti -","- C114 H184 Cl2 N4 O4 P4 Si2 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","1.34143","GaKα","","0.1573","0.0702","","","0.1526","0.1735","","","","","","0.872","","","","has coordinates","261657","2021-02-04","23:12:11",""
"7706237","10.3204","0.0005","11.6903","0.0007","21.9979","0.0011","101.88","0.004","90.201","0.004","108.956","0.004","2449.2","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H78 Cl N2 O P2 Si Ti -","- C48 H78 Cl N2 O P2 Si Ti -","- C96 H156 Cl2 N4 O2 P4 Si2 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","0.71073","MoKα","","0.1229","0.0818","","","0.2104","0.2452","","","","","","1.037","","","","has coordinates,has disorder","261657","2021-02-04","23:12:11",""
"7706238","9.5032","0.0004","11.8444","0.0005","22.143","0.001","100.092","0.003","90.957","0.003","106.801","0.003","2343.1","0.18","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C44.5 H74 Cl N2 O P2 Si Ti -","- C44.5 H74 Cl N2 O P2 Si Ti -","- C89 H148 Cl2 N4 O2 P4 Si2 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","0.71073","MoKα","","0.1222","0.0779","","","0.1923","0.2194","","","","","","1.038","","","","has coordinates,has disorder","261657","2021-02-04","23:12:11",""
"7706239","8.987","0.0007","12.3952","0.001","18.1785","0.0014","90.89","0.006","99.601","0.006","93.077","0.006","1993.1","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H63 Cl N2 O P2 Ti -","- C40 H63 Cl N2 O P2 Ti -","- C80 H126 Cl2 N4 O2 P4 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","0.71073","MoKα","","0.2487","0.1022","","","0.2384","0.3134","","","","","","0.995","","","","has coordinates","261657","2021-02-04","23:12:11",""
"7706240","9.0471","0.0008","12.2788","0.001","17.183","0.0015","74.518","0.007","78.729","0.007","85.262","0.007","1803.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H56 Cl N2 O2 Ti -","- C39 H56 Cl N2 O2 Ti -","- C78 H112 Cl2 N4 O4 Ti2 -","2","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","1.54186","CuKα","","0.2559","0.1472","","","0.3678","0.4349","","","","","","1.284","","","","has coordinates,has disorder","261657","2021-02-04","23:12:11",""
"7706241","21.3211","0.0007","16.2782","0.0004","25.82","0.0008","90","","94.309","0.003","90","","8936","0.5","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H72 Cl N2 O P2 Si Ti -","- C43 H72 Cl N2 O P2 Si Ti -","- C344 H576 Cl8 N16 O8 P16 Si8 Ti8 -","8","2","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","0.71073","MoKα","","0.1197","0.0586","","","0.1383","0.1711","","","","","","0.959","","","","has coordinates","261657","2021-02-04","23:12:11",""
"7706242","11.9781","0.0004","16.4161","0.0007","23.1523","0.0007","90.431","0.003","91.187","0.003","92.522","0.003","4547","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H74 Cl N2 O P2 Si Ti -","- C44 H74 Cl N2 O P2 Si Ti -","- C176 H296 Cl4 N8 O4 P8 Si4 Ti4 -","4","2","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Experimental and theoretical investigation of the reactivity of [(BDI*)Ti(Cl){η<sup>2</sup>-P(SiMe<sub>3</sub>)-P<i>i</i>Pr<sub>2</sub>}] towards selected ketones.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1390","1401","10.1039/d0dt04014b","","x-ray","0.71073","MoKα","","0.1788","0.0985","","","0.2791","0.3278","","","","","","1.026","","","","has coordinates,has disorder","261657","2021-02-04","23:12:11",""
"7706243","30.5392","0.0007","30.5392","0.0007","13.0003","0.0004","90","","90","","120","","10500.2","0.5","293","2","293","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C20 H8 N2 O8 Tb -","- C20 H8 N2 O8 Tb -","- C240 H96 N24 O96 Tb12 -","12","1","","Lin, Zeng-Gang; Song, Fu-Qiang; Wang, Hui; Song, Xue-Qin; Yu, Xin-Xin; Liu, Wei-Sheng","The construction of a novel luminescent lanthanide framework for the selective sensing of Cu<sup>2+</sup> and 4-nitrophenol in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1874","1886","10.1039/d0dt04089d","","","1.54184","CuKα","","0.0586","0.045","","","0.116","0.1234","","","","","","1.044","","","","has coordinates,has disorder","262617","2021-03-05","01:58:00",""
"7706244","30.8375","0.0008","30.8375","0.0008","12.9766","0.0005","90","","90","","120","","10686.9","0.6","100","2","99.98","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C20 H6 Eu N2 O8 -","- C20 H6 Eu N2 O8 -","- C240 H72 Eu12 N24 O96 -","12","1","","Lin, Zeng-Gang; Song, Fu-Qiang; Wang, Hui; Song, Xue-Qin; Yu, Xin-Xin; Liu, Wei-Sheng","The construction of a novel luminescent lanthanide framework for the selective sensing of Cu<sup>2+</sup> and 4-nitrophenol in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1874","1886","10.1039/d0dt04089d","","","0.71073","MoKα","","0.0685","0.0675","","","0.1872","0.1879","","","","","","1.042","","","","has coordinates","262617","2021-03-05","01:58:00",""
"7706315","12.5051","0.0003","12.9415","0.0004","15.0445","0.0004","89.953","0.001","87.636","0.001","80.64","0.001","2400.22","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H78 Fe2 N6 S2 -","- C51 H78 Fe2 N6 S2 -","- C102 H156 Fe4 N12 S4 -","2","1","","Buratto, William R.; Ferreira, Ricardo B.; Catalano, Vincent J.; García-Serres, Ricardo; Murray, Leslie J.","Cleavage of cluster iron-sulfide bonds in cyclophane-coordinated Fe<sub>n</sub>S<sub>m</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","816","821","10.1039/d0dt03805a","","","0.71073","MoKα","","0.0485","0.0361","","","0.1056","0.1093","","","","","","1.069","","","","has coordinates","261699","2021-02-04","23:20:26",""
"7706316","11.7432","0.0006","10.4564","0.0005","15.0518","0.0011","90","","105.441","0.003","90","","1781.52","0.18","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl N P -","- C19 H23 Cl N P -","- C76 H92 Cl4 N4 P4 -","4","1","","Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","P-Alkynyl functionalized benzazaphospholes as transmetalating agents.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","599","611","10.1039/d0dt01367f","","x-ray","1.54178","CuKα","","0.0497","0.0471","","","0.1232","0.1256","","","","","","1.045","","","","has coordinates","261689","2021-02-04","23:18:25",""
"7706317","13.661","0.0002","23.3921","0.0003","15.1918","0.0002","90","","106.894","0.001","90","","4645.18","0.11","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H77 I N P3 Pd2 -","- C43 H77 I N P3 Pd2 -","- C172 H308 I4 N4 P12 Pd8 -","4","1","","Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","P-Alkynyl functionalized benzazaphospholes as transmetalating agents.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","599","611","10.1039/d0dt01367f","","","0.71073","MoKα","","0.0399","0.0313","","","0.0712","0.0769","","","","","","1.039","","","","has coordinates","261689","2021-02-04","23:18:26",""
"7706318","9.4221","0.0005","9.8317","0.0008","20.1049","0.0012","90","","101.724","0.003","90","","1823.6","0.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl0.25 I0.75 N P -","- C19 H23 Cl0.251 I0.749 N P -","- C76 H92 Cl1.004 I2.996 N4 P4 -","4","1","","Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","P-Alkynyl functionalized benzazaphospholes as transmetalating agents.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","599","611","10.1039/d0dt01367f","","","0.71073","MoKα","","0.0344","0.0282","","","0.0616","0.0635","","","","","","1.154","","","","has coordinates,has disorder","261689","2021-02-04","23:18:26",""
"7706319","11.6914","0.0005","12.0731","0.0005","13.1054","0.0006","95.1","0.002","94.213","0.002","113.203","0.002","1681.56","0.13","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H46 N2 O0.38 P2 -","- C38 H46 N2 O0.382 P2 -","- C76 H92 N4 O0.764 P4 -","2","1","","Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","P-Alkynyl functionalized benzazaphospholes as transmetalating agents.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","599","611","10.1039/d0dt01367f","","x-ray","1.54178","CuKα","","0.0405","0.037","","","0.0948","0.0976","","","","","","1.038","","","","has coordinates","261689","2021-02-04","23:18:26",""
"7706320","10.1766","0.0002","20.7413","0.0004","11.3263","0.0002","90","","109.839","0.001","90","","2248.82","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N P -","- C26 H30 N P -","- C104 H120 N4 P4 -","4","1","","Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","P-Alkynyl functionalized benzazaphospholes as transmetalating agents.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","599","611","10.1039/d0dt01367f","","x-ray","1.54178","CuKα","","0.0377","0.035","","","0.0929","0.0954","","","","","","1.059","","","","has coordinates","261689","2021-02-04","23:18:26",""
"7706321","8.4342","0.0005","10.7526","0.0006","14.1948","0.0008","97.641","0.002","103.063","0.002","90.538","0.002","1241.83","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N P -","- C27 H28 N P -","- C54 H56 N2 P2 -","2","1","","Zhou, Daniel Y.; Miura-Akagi, Preston M; McCarty, Sierra M.; Guiles, Celeste H.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Krause, Colleen E.; Rheingold, Arnold L.; Hughes, Russell P.; Cain, Matthew F.","P-Alkynyl functionalized benzazaphospholes as transmetalating agents.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","599","611","10.1039/d0dt01367f","","x-ray","0.71073","MoKα","","0.0784","0.054","","","0.1434","0.1567","","","","","","0.986","","","","has coordinates","261689","2021-02-04","23:18:26",""
"7706322","16.9371","0.0003","9.5887","0.0001","25.1582","0.0004","90","","90","","90","","4085.81","0.11","180.01","0.1","180.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C192 H160 N64 -","16","2","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0518","0.0402","","","0.0964","0.1061","","","","","","1.063","","","","has coordinates","261652","2021-02-04","23:11:12",""
"7706323","13.58526","0.00012","10.68649","0.00011","27.084","0.0003","90","","91.932","0.0009","90","","3929.79","0.07","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 F12 N12 P2 Zn -","- C36 H30 F12 N12 P2 Zn -","- C144 H120 F48 N48 P8 Zn4 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0539","0.0505","","","0.14","0.1429","","","","","","1.058","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706324","7.7949","0.0003","11.6274","0.0005","22.4728","0.001","90","","99.254","0.004","90","","2010.3","0.15","180.15","","180.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C96 H80 N32 -","8","2","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0595","0.0521","","","0.1511","0.1592","","","","","","1.065","","","","has coordinates","261652","2021-02-04","23:11:12",""
"7706325","9.5158","0.0001","22.5839","0.0002","19.1174","0.0002","90","","96.581","0.001","90","","4081.33","0.07","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 Cl2 N13 Ni O8 -","- C38 H33 Cl2 N13 Ni O8 -","- C152 H132 Cl8 N52 Ni4 O32 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0484","0.0468","","","0.1301","0.1316","","","","","","1.044","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706326","14.8236","0.0002","14.3119","0.0002","16.9607","0.0003","90","","94.4286","0.0013","90","","3587.54","0.09","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N12 O8 -","- C36 H30 Cl2 Fe N12 O8 -","- C144 H120 Cl8 Fe4 N48 O32 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0411","0.0372","","","0.0964","0.0992","","","","","","1.033","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706327","14.6645","0.0006","14.5548","0.0006","17.0631","0.0006","90.232","0.003","93.788","0.003","90.093","0.003","3633.9","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 N12 Ni O8 -","- C36 H30 Cl2 N12 Ni O8 -","- C144 H120 Cl8 N48 Ni4 O32 -","4","2","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0905","0.0841","","","0.1817","0.186","","","","","","1.11","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706328","11.8247","0.0006","12.9758","0.0006","14.7202","0.0006","77.76","0.004","83.51","0.004","74.276","0.004","2120.94","0.18","180","0.1","180","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H36.6 B2 F8 Fe N12.5 O0.5 -","- C39.5 H36.6 B2 F8 Fe N12.5 O0.5 -","- C79 H73.2 B4 F16 Fe2 N25 O -","2","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0724","0.059","","","0.166","0.1819","","","","","","1.028","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706329","9.4295","0.0001","22.5937","0.0003","18.8708","0.0002","90","","94.91","0.001","90","","4005.62","0.08","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 B2 F8 N13 Ni -","- C38 H33 B2 F8 N13 Ni -","- C152 H132 B8 F32 N52 Ni4 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1084","0.1109","","","","","","1.056","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706330","14.8446","0.0007","14.4714","0.0007","17.0415","0.0006","90.483","0.003","94.246","0.003","89.407","0.004","3650.5","0.3","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cl2 Fe N12 O8 -","- C36 H30 Cl2 Fe N12 O8 -","- C144 H120 Cl8 Fe4 N48 O32 -","4","2","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.089","0.0754","","","0.2104","0.2307","","","","","","1.041","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706331","18.826","0.0001","21.2385","0.0001","18.8829","0.0001","90","","98.014","0.001","90","","7476.33","0.07","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H64 B2.5 F19 Fe2 N24 O P1.5 -","- C73 H64 B2.498 F19.004 Fe2 N24 O P1.502 -","- C292 H256 B9.992 F76.016 Fe8 N96 O4 P6.008 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.043","0.0379","","","0.1023","0.1056","","","","","","1.038","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706332","14.9848","0.0003","14.7075","0.0003","17.1641","0.0003","90","","93.9532","0.0015","90","","3773.78","0.13","281","8","281","8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N12 O8 -","- C36 H30 Cl2 Fe N12 O8 -","- C144 H120 Cl8 Fe4 N48 O32 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0603","0.0528","","","0.1516","0.1603","","","","","","1.054","","","","has coordinates","261652","2021-02-04","23:11:12",""
"7706333","12.7622","0.0007","14.6333","0.0006","14.8701","0.0005","62.805","0.004","69.432","0.004","70.165","0.004","2258.7","0.2","180","0.1","180","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41.01 H37.51 Cl2 N14.5 O8 Zn -","- C41.004 H37.5066 Cl2 N14.502 O8 Zn -","- C82.008 H75.0132 Cl4 N29.004 O16 Zn2 -","2","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0751","0.0689","","","0.191","0.197","","","","","","1.061","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706334","11.8497","0.0005","13.0576","0.0005","14.6652","0.0005","77.91","0.003","83.652","0.003","73.048","0.004","2119.41","0.15","180.01","0.1","180.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 B2 F8 N14 Zn -","- C36 H30 B2 F8 N12 Zn -","- C72 H60 B4 F16 N24 Zn2 -","2","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0686","0.0564","","","0.1545","0.1657","","","","","","1.048","","","","has coordinates","261652","2021-02-04","23:11:12",""
"7706335","10.1894","0.0003","10.1894","0.0003","20.0955","0.001","90","","90","","120","","1806.87","0.12","180","0.1","180","0.1","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C36 H30 Cl2 N12 O8 Zn -","- C36 H30 Cl2 N12 O8 Zn -","- C72 H60 Cl4 N24 O16 Zn2 -","2","0.166667","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0708","0.0658","","","0.1578","0.1609","","","","","","1.125","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706336","19.0452","0.0004","21.4963","0.0004","19.0632","0.0005","90","","98.075","0.002","90","","7727.1","0.3","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C73 H64 Cl0.56 F20.63 Fe2 N24 O3.25 P3.44 -","- C73 H64 Cl0.562 F20.628 Fe2 N24 O3.248 P3.438 -","- C292 H256 Cl2.248 F82.512 Fe8 N96 O12.992 P13.752 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.119","0.0764","","","0.2007","0.2256","","","","","","1.035","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706337","18.9538","0.0002","21.5853","0.0003","19.006","0.0003","90","","98.5966","0.0014","90","","7688.44","0.18","120.01","0.12","120.01","0.12","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Cl2.96 F6.24 N24 Ni2 O11.84 P1.04 -","- C72 H60 Cl2.96 F6.24 N24 Ni2 O11.84 P1.04 -","- C288 H240 Cl11.84 F24.96 N96 Ni8 O47.36 P4.16 -","4","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.0635","0.0536","","","0.1396","0.1454","","","","","","1.048","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706338","11.6311","0.0002","12.843","0.0002","14.99232","0.00018","94.6407","0.0012","100.707","0.0012","113.798","0.0017","1982.94","0.06","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C38 H35.5 B2 F8 N12.5 Ni O -","- C38 H35.5 B2 F8 N12.5 Ni O -","- C76 H71 B4 F16 N25 Ni2 O2 -","2","1","","Deorukhkar, Neel; Besnard, Céline; Guénée, Laure; Piguet, Claude","Tuning spin-crossover transition temperatures in non-symmetrical homoleptic meridional/facial [Fe(didentate)<sub>3</sub>]<sup>2+</sup> complexes: what for and who cares about it?","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1206","1223","10.1039/d0dt03828h","","x-ray","1.54184","CuKα","","0.055","0.0506","","","0.1424","0.1457","","","","","","1.121","","","","has coordinates,has disorder","261652","2021-02-04","23:11:12",""
"7706339","11.08","0.0007","14.2305","0.0009","30.792","0.002","90","","97.803","0.002","90","","4810.1","0.5","150","2","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H33 F6 N3 O7 P Re -","- C45 H33 F6 N3 O7 P Re -","- C180 H132 F24 N12 O28 P4 Re4 -","4","1","","De Azevedo, Orlando D. C. C.; Elliott, Paul I. P.; Gabbutt, Christopher D.; Heron, B. Mark; Jacquemin, Denis; Rice, Craig R.; Scattergood, Paul A.","Quenching of the phosphorescence of thermally reversible photochromic naphthopyran Re(i) complexes initiated by either visible or ultraviolet radiation.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","830","834","10.1039/d0dt04220j","","","0.71073","MoKα","","0.1297","0.0854","","","0.1794","0.2005","","","","","","1.0735","","","","has coordinates,has disorder","261691","2021-02-04","23:18:38",""
"7706340","13.6092","0.0007","13.6117","0.0007","39.217","0.002","80.895","0.005","81.259","0.005","81.193","0.004","7027.6","0.6","175","","175","","","","","","","","","6","P -1","-P 1","2","","","","- C224 H240 F3 N2 O36 Si24 -","- C224 H240 F3 N2 O36 Si24 -","- C224 H240 F3 N2 O36 Si24 -","1","0.5","","Laird, Mathilde; Totée, Cédric; Gaveau, Philippe; Silly, Gilles; Van der Lee, Arie; Carcel, Carole; Unno, Masafumi; Bartlett, John R.; Wong Chi Man, Michel","Functionalised polyhedral oligomeric silsesquioxane with encapsulated fluoride - first observation of fluxional SiF interactions in POSS.","Dalton transactions (Cambridge, England : 2003)","2021","50","1","81","89","10.1039/d0dt03057k","","","0.71073","MoKα","","0.1525","0.1284","","0.1641","0.1402","0.1402","","","","","","1.1278","","","","has coordinates","260592","2021-01-07","03:18:50",""
"7706341","12.9001","0.0009","14.129","0.0009","14.1372","0.001","68.331","0.002","77.247","0.002","71.348","0.002","2253.4","0.3","253","2","253","2","","","","","","","","9","P -1","-P 1","2","","","","- C43 H29 Cl3 F3 N5 O7 P Re S -","- C43 H29 Cl3 F3 N5 O7 P Re S -","- C86 H58 Cl6 F6 N10 O14 P2 Re2 S2 -","2","1","","Hernández Mejías, Ángel D; Poirot, Alexandre; Rmili, Meriem; Leygue, Nadine; Wolff, Mariusz; Saffon-Merceron, Nathalie; Benoist, Eric; Fery-Forgues, Suzanne","Efficient photorelease of carbon monoxide from a luminescent tricarbonyl rhenium(I) complex incorporating pyridyl-1,2,4-triazole and phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1313","1323","10.1039/d0dt03577g","","","0.71073","MoKα","","0.073","0.0423","","","0.0878","0.1017","","","","","","1.057","","","","has coordinates,has disorder","261660","2021-02-04","23:12:28",""
"7706342","7.8851","0.0008","9.4706","0.0008","14.9633","0.0013","92.531","0.003","102.966","0.003","113.898","0.003","984.06","0.16","300","2","300.13","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Cu I N7 S -","- C18 H15 Cu I N7 S -","- C36 H30 Cu2 I2 N14 S2 -","2","1","","Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei","Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1816","1823","10.1039/d0dt03817b","","","0.71073","MoKα","","0.0321","0.025","","","0.0567","0.0592","","","","","","1.058","","","","has coordinates","262610","2021-03-05","01:56:26",""
"7706343","14.745","0.005","11.282","0.004","21.686","0.007","90","","107.907","0.012","90","","3433","2","298","2","298.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 Br3 Cu3 N12 S2 -","- C32 H20 Br3 Cu3 N12 S2 -","- C128 H80 Br12 Cu12 N48 S8 -","4","0.5","","Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei","Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1816","1823","10.1039/d0dt03817b","","","0.71073","MoKα","","0.0315","0.0232","","","0.0518","0.0544","","","","","","1.036","","","","has coordinates","262610","2021-03-05","01:56:26",""
"7706344","7.8338","0.0003","17.9378","0.0006","11.5775","0.0004","90","","93.238","0.001","90","","1624.29","0.1","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Br Cu N6 S -","- C16 H12 Br Cu N6 S -","- C64 H48 Br4 Cu4 N24 S4 -","4","1","","Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei","Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1816","1823","10.1039/d0dt03817b","","","0.71073","MoKα","","0.0334","0.0228","","","0.0488","0.0521","","","","","","1.036","","","","has coordinates","262610","2021-03-05","01:56:26",""
"7706345","7.9536","0.0013","7.978","0.0017","12.239","0.002","98.887","0.008","99.985","0.005","94.096","0.007","751.8","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Cl Cu N6 S -","- C16 H8 Cl Cu N6 S -","- C32 H16 Cl2 Cu2 N12 S2 -","2","1","","Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei","Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1816","1823","10.1039/d0dt03817b","","","0.71073","MoKα","","0.0299","0.0262","","","0.0693","0.0714","","","","","","1.047","","","","has coordinates","262610","2021-03-05","01:56:26",""
"7706346","13.1118","0.0006","12.837","0.0006","18.0339","0.0008","90","","102.238","0.002","90","","2966.4","0.2","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl Cu0.5 N6 S -","- C16 H8 Cl Cu0.5 N6 S -","- C128 H64 Cl8 Cu4 N48 S8 -","8","1","","Hu, Chen; Zhao, Yingnan; Han, Xiao; Song, Jiaqi; Ding, Jie; Hou, Hongwei","Facilely controllable synthesis of copper-benzothiadiazole complexes <i>via</i> solvothermal reactions: exploring the customized synthetic approach by experiments.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1816","1823","10.1039/d0dt03817b","","","0.71073","MoKα","","0.0707","0.0403","","","0.0945","0.1052","","","","","","1.03","","","","has coordinates","262610","2021-03-05","01:56:26",""
"7706347","7.1286","0.0005","7.1593","0.0006","37.237","0.003","90","","90","","90","","1900.4","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- Cl3 Cs0 La5 S9 Sb2 -","- Cl3 La5 S9 Sb2 -","- Cl12 La20 S36 Sb8 -","4","0.5","","Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming","Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2075","2082","10.1039/d0dt03953e","","","0.71073","MoKα","","0.037","0.0321","","","0.1195","0.1254","","","","","","0.978","","","","has coordinates","262638","2021-03-05","02:03:36",""
"7706348","22.259","0.003","7.0964","0.0011","7.1605","0.0009","90","","99.056","0.007","90","","1117","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Cl2 La3 S5 Sb -","- Cl2 La3 S5 Sb -","- Cl8 La12 S20 Sb4 -","4","1","","Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming","Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2075","2082","10.1039/d0dt03953e","","","0.71073","MoKα","","0.0231","0.0208","","","0.0443","0.0457","","","","","","1.014","","","","has coordinates","262638","2021-03-05","02:03:40",""
"7706349","22.066","0.002","7.0323","0.0007","7.0889","0.0009","90","","98.95","0.007","90","","1086.6","0.2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ce3 Cl2 S5 Sb -","- Ce3 Cl2 S5 Sb -","- Ce12 Cl8 S20 Sb4 -","4","1","","Zhao, Hua-Jun; Liu, Peng-Fei; Wu, Li-Ming","Structural diversities in centrosymmetric La<sub>8</sub>S<sub>4</sub>Cl<sub>8</sub>La<sub>12</sub>S<sub>8</sub>Cl<sub>4</sub>[SbS<sub>3</sub>]<sub>8</sub> and non-centrosymmetric Ln<sub>12</sub>S<sub>8</sub>Cl<sub>8</sub>[SbS<sub>3</sub>]<sub>4</sub> (Ln = La and Ce): syntheses, crystal and electronic structures, and optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2075","2082","10.1039/d0dt03953e","","","0.71073","MoKα","","0.0246","0.0235","","","0.0575","0.0584","","","","","","1.013","","","","has coordinates","262638","2021-03-05","02:03:40",""
"7706350","9.4993","0.0002","6.8463","0.0001","19.8176","0.0004","90","","98.1714","0.0007","90","","1275.75","0.04","301","2","301.5","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- La2 P4 Rb4 S14 -","- La2 P4 Rb4 S14 -","- La4 P8 Rb8 S28 -","2","0.5","","Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad","A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1683","1689","10.1039/d0dt03718d","","","0.71073","MoKα","","0.0276","0.0204","","","0.0405","0.044","","","","","","1.025","","","","has coordinates","262620","2021-03-05","01:58:55",""
"7706351","9.4631","0.0002","6.8309","0.0001","19.6643","0.0004","90","","98.0659","0.0007","90","","1258.55","0.04","302","2","301.92","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- P4 Pr2 Rb4 S14 -","- P4 Pr2 Rb4 S14 -","- P8 Pr4 Rb8 S28 -","2","0.5","","Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad","A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1683","1689","10.1039/d0dt03718d","","","0.71073","MoKα","","0.0199","0.0161","","","0.0348","0.037","","","","","","1.06","","","","has coordinates","262620","2021-03-05","01:58:55",""
"7706352","22.8259","0.0004","6.7929","0.0001","18.7916","0.0003","90","","121.752","0.0006","90","","2477.62","0.07","302","2","302.46","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Gd2 P4 Rb4 S14 -","- Gd2 P4 Rb4 S14 -","- Gd8 P16 Rb16 S56 -","4","0.5","","Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad","A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1683","1689","10.1039/d0dt03718d","","","0.71073","MoKα","","0.018","0.0158","","","0.0319","0.0326","","","","","","1.101","","","","has coordinates","262620","2021-03-05","01:58:55",""
"7706353","22.8828","0.0005","6.8072","0.0001","18.8375","0.0004","90","","121.912","0.001","90","","2490.79","0.09","303","2","302.72","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- P4 Rb4 S14 Sm2 -","- P4 Rb4 S14 Sm2 -","- P16 Rb16 S56 Sm8 -","4","0.5","","Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad","A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1683","1689","10.1039/d0dt03718d","","","0.71073","MoKα","","0.0278","0.0227","","","0.0462","0.0481","","","","","","1.103","","","","has coordinates","262620","2021-03-05","01:58:55",""
"7706354","22.9712","0.0005","6.8248","0.0001","18.8874","0.0004","90","","122.039","0.0007","90","","2510.04","0.09","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Nd2 P4 Rb4 S14 -","- Nd2 P4 Rb4 S14 -","- Nd8 P16 Rb16 S56 -","4","0.5","","Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad","A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1683","1689","10.1039/d0dt03718d","","","0.71073","MoKα","","0.0214","0.0211","","","0.0555","0.0558","","","","","","1.045","","","","has coordinates","262620","2021-03-05","01:58:55",""
"7706355","9.4771","0.0002","6.8346","0.0002","19.7215","0.0005","90","","98.135","0.001","90","","1264.55","0.06","301","2","300.94","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ce2 P4 Rb4 S14 -","- Ce2 P4 Rb4 S14 -","- Ce4 P8 Rb8 S28 -","2","0.5","","Kutahyali Aslani, Ceren; Breton, Logan S.; Klepov, Vladislav V.; Zur Loye, Hans-Conrad","A series of Rb<sub>4</sub>Ln<sub>2</sub>(P<sub>2</sub>S<sub>6</sub>)(PS<sub>4</sub>)<sub>2</sub> (Ln = La, Ce, Pr, Nd, Sm, Gd) rare earth thiophosphates with two distinct thiophosphate units [P<sup>V</sup>S<sub>4</sub>]<sup>3-</sup> and [P<sup>IV</sup><sub>2</sub>S<sub>6</sub>]<sup>4</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1683","1689","10.1039/d0dt03718d","","","0.71073","MoKα","","0.037","0.0304","","","0.0585","0.0606","","","","","","1.105","","","","has coordinates","262620","2021-03-05","01:58:58",""
"7706356","16.4148","0.0005","9.8279","0.0004","16.8925","0.0007","90","","104.453","0.002","90","","2638.91","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1","","- C15 H42 P6 Pt2 -","- C15 H42 P6 Pt2 -","- C60 H168 P24 Pt8 -","4","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0495","0.0342","","","0.0644","0.0681","","","","","","1.142","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706357","8.4725","0.0018","8.5638","0.0018","10.4628","0.0013","111.406","0.012","90.373","0.007","92.437","0.008","705.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","7-I","","- C16 H34 I4 P4 Pt2 -","- C16 H34 I4 P4 Pt2 -","- C16 H34 I4 P4 Pt2 -","1","0.5","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0146","0.0145","","","0.034","0.034","","","","","","1.208","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706358","15.217","0.007","9.891","0.003","26.831","0.009","90","","94.952","0.014","90","","4023","3","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Cl(Tip)","","- C27 H55 B Cl6 P4 Pt2 -","- C27 H55 B Cl6 P4 Pt2 -","- C108 H220 B4 Cl24 P16 Pt8 -","4","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0321","0.0242","","","0.0423","0.0449","","","","","","1.048","","","","has coordinates,has disorder","263751","2021-04-05","14:46:35",""
"7706359","16.063","0.005","8.568","0.002","15.827","0.003","90","","102.115","0.014","90","","2129.7","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-I","","- C10 H28 I2 P4 Pt2 -","- C10 H28 I2 P4 Pt2 -","- C40 H112 I8 P16 Pt8 -","4","0.5","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0398","0.0341","","","0.0855","0.0901","","","","","","1.089","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706360","17.179","0.003","17.179","","36.881","0.013","90","","90","","90","","10884","4","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C14 H40 B2 Cl2 N2 P4 Pt2 -","- C14 H40 B2 Cl2 N2 P4 Pt2 -","- C224 H640 B32 Cl32 N32 P64 Pt32 -","16","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0515","0.0295","","","0.052","0.0562","","","","","","1.022","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706361","15","0.0005","11.3002","0.0004","19.1129","0.0006","90","","93.165","0.001","90","","3234.75","0.19","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","4-Cl(NPh2)","","- C25 H40 B Cl2 F N P4 Pt2 -","- C25 H40 B Cl2 F N P4 Pt2 -","- C100 H160 B4 Cl8 F4 N4 P16 Pt8 -","4","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0406","0.0291","","","0.0567","0.0615","","","","","","1.047","","","","has coordinates,has disorder","263751","2021-04-05","14:46:35",""
"7706362","14.055","0.002","11.8205","0.0014","15.0133","0.0016","90","","98.271","0.009","90","","2468.3","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","4-Cl(Cl)","","- C13 H30 B Cl3 F P4 Pt2 -","- C13 H30 B Cl3 F P4 Pt2 -","- C52 H120 B4 Cl12 F4 P16 Pt8 -","4","2","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0145","0.0142","","","0.0326","0.0327","","","","","","1.079","","","","has coordinates,has disorder","263751","2021-04-05","14:46:35",""
"7706363","15.3302","0.0005","10.6045","0.0003","20.0669","0.0006","90","","109.958","0.001","90","","3066.34","0.16","102","2","102","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-Br(Cy)","","- C17 H41 B Br2 Cl2 P4 Pt2 -","- C17 H41 B Br2 Cl2 P4 Pt2 -","- C68 H164 B4 Br8 Cl8 P16 Pt8 -","4","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0233","0.0204","","","0.0438","0.0443","","","","","","1.208","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706364","9.7921","0.0006","18.6172","0.0012","35.799","0.002","86.46","0.002","82.591","0.002","83.964","0.002","6428.2","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3","","- C38 H105 P14 Pt4 -","- C38 H105 P14 Pt4 -","- C152 H420 P56 Pt16 -","4","2","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0325","0.0255","","","0.0474","0.0491","","","","","","1.067","","","","has coordinates,has disorder","263751","2021-04-05","14:46:35",""
"7706365","9.6196","0.0004","11.6672","0.0005","12.3195","0.0005","111.422","0.001","93.24","0.001","92.752","0.001","1281.58","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Pt6 cluster","","- C14 H40 P6 Pt3 -","- C14 H40 P6 Pt3 -","- C28 H80 P12 Pt6 -","2","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.062","0.0601","","","0.1711","0.1741","","","","","","1.028","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706366","11.836","0.004","22.892","0.008","14.199","0.005","90","","90","","90","","3847","2","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","4-Cl(Dur)","","- C32 H49 B Cl2 F4 P4 Pt2 -","- C32 H49 B Cl2 F4 P4 Pt2 -","- C128 H196 B4 Cl8 F16 P16 Pt8 -","4","0.5","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.024","0.018","","","0.0388","0.0404","","","","","","1.038","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706367","10.731","0.004","15.17","0.004","19.59","0.009","90","","90","","90","","3189","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","4-Br(Mes)","","- C20 H41 B Br2 Cl2 P4 Pt2 -","- C20 H41 B Br2 Cl2 P4 Pt2 -","- C80 H164 B4 Br8 Cl8 P16 Pt8 -","4","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.012","0.0115","","","0.0257","0.0258","","","","","","1.087","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706368","14.9329","0.0009","15.7221","0.0009","26.2447","0.0016","90","","94.57","0.002","90","","6142.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-I(I)","","- C12 H32 B Cl4 I3 P4 Pt2 -","- C12 H32 B Cl4 I3 P4 Pt2 -","- C96 H256 B8 Cl32 I24 P32 Pt16 -","8","2","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.0312","0.0252","","","0.0435","0.0451","","","","","","1.121","","","","has coordinates,has disorder","263751","2021-04-05","14:46:35",""
"7706369","17.0415","0.0016","8.9433","0.0009","16.9729","0.0019","90","","90.314","0.004","90","","2586.8","0.5","273","2","273.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H20 Cl2 Co N4 -","- C22 H20 Cl2 Co N4 -","- C88 H80 Cl8 Co4 N16 -","4","1","","Guo, Xusheng; Li, Chao; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong; Zhou, Qianxiong","Polypyridyl Co complex-based water reduction catalysts: why replace a pyridine group with isoquinoline rather than quinoline?","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2042","2049","10.1039/c9dt04767k","","","0.71073","MoKα","","0.0766","0.0682","","","0.1856","0.1968","","","","","","1.052","","","","has coordinates","262641","2021-03-05","02:04:30",""
"7706370","10.8073","0.0013","12.9956","0.0015","15.6175","0.0019","90","","93.956","0.005","90","","2188.2","0.5","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cl2 Co N4 -","- C22 H20 Cl2 Co N4 -","- C88 H80 Cl8 Co4 N16 -","4","1","","Guo, Xusheng; Li, Chao; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong; Zhou, Qianxiong","Polypyridyl Co complex-based water reduction catalysts: why replace a pyridine group with isoquinoline rather than quinoline?","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2042","2049","10.1039/c9dt04767k","","","0.71073","MoKα","","0.1195","0.0716","","","0.12","0.1349","","","","","","1.08","","","","has coordinates","262641","2021-03-05","02:04:30",""
"7706371","12.0433","0.0008","18.7847","0.0012","31.495","0.002","90","","96.772","0.002","90","","7075.4","0.8","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","4,8,14,18,23,27-Hexa-azonia-1,11-diaza-6,16,25(1,4)-tri(tetrafluorobenzena) bicyclo (9.9.9)nonacosaphane perrhenate clathrate pentakys(triflate) pentahydrate","","","- C41 H58 F27 N8 O24 Re S5 -","- C41 H48 F27 N8 O24 Re S5 -","- C164 H192 F108 N32 O96 Re4 S20 -","4","1","","Thevenet, Alexiane; Miljkovic, Ana; La Cognata, Sonia; Marie, Cécile; Tamain, Christelle; Boubals, Nathalie; Mangano, Carlo; Amendola, Valeria; Guilbaud, Philippe","Syntheses and evaluation of new hydrophilic azacryptands used as masking agents of technetium in solvent extraction processes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1620","1630","10.1039/d0dt04210b","","","0.7107","MoKα","","0.0692","0.0561","","","0.1657","0.1787","","","","","","1.052","","","","has coordinates,has disorder","262612","2021-03-05","01:56:47",""
"7706372","10.3089","0.0012","15.7917","0.0019","16.1627","0.0018","110.114","0.004","107.329","0.004","93.312","0.005","2320.6","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Fe3 N42 O18 Pd3 -","- C78 H62 Fe3 N42 O18 Pd3 -","- C78 H62 Fe3 N42 O18 Pd3 -","1","0.5","","Ahmed, Manan; Brand, Helen E. A.; Peterson, Vanessa K.; Clegg, Jack K.; Kepert, Cameron J.; Price, Jason R.; Powell, Benjamin J.; Neville, Suzanne M.","Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1434","1442","10.1039/d0dt04007j","","","0.71073","MoKα","","0.118","0.0689","","","0.1762","0.1995","","","","","","1.052","","","","has coordinates","261662","2021-02-04","23:12:44",""
"7706373","10.1602","0.0009","15.7199","0.0015","15.9084","0.0014","110.052","0.003","106.996","0.003","93.533","0.004","2245.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Fe3 N42 O18 Pd3 -","- C78 H62 Fe3 N42 O18 Pd3 -","- C78 H62 Fe3 N42 O18 Pd3 -","1","0.5","","Ahmed, Manan; Brand, Helen E. A.; Peterson, Vanessa K.; Clegg, Jack K.; Kepert, Cameron J.; Price, Jason R.; Powell, Benjamin J.; Neville, Suzanne M.","Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1434","1442","10.1039/d0dt04007j","","","0.71073","MoKα","","0.0996","0.0638","","","0.1479","0.1633","","","","","","1.066","","","","has coordinates","261662","2021-02-04","23:12:45",""
"7706374","10.5134","0.0008","15.8864","0.0015","16.5425","0.0015","110.227","0.004","107.844","0.003","92.631","0.003","2431.9","0.4","250","","250","","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Fe3 N42 O18 Pd3 -","- C78 H62 Fe3 N42 O18 Pd3 -","- C78 H62 Fe3 N42 O18 Pd3 -","1","0.5","","Ahmed, Manan; Brand, Helen E. A.; Peterson, Vanessa K.; Clegg, Jack K.; Kepert, Cameron J.; Price, Jason R.; Powell, Benjamin J.; Neville, Suzanne M.","Dual-supramolecular contacts induce extreme Hofmann framework distortion and multi-stepped spin-crossover.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1434","1442","10.1039/d0dt04007j","","","0.71073","MoKα","","0.088","0.0641","","","0.1854","0.2029","","","","","","1.023","","","","has coordinates","261662","2021-02-04","23:12:45",""
"7706375","14.713","0.003","16.575","0.004","26.663","0.006","90","","90.201","0.005","90","","6502","3","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","[Si8O12][OSi(OMe)3]8","","- C24 H72 O44 Si16 -","- C24 H72 O44 Si16 -","- C96 H288 O176 Si64 -","4","1","","Nozawa, Takeshi; Kobayashi, Toshiaki; Matsumoto, Tomohiro; Yagihashi, Fujio; Sato, Kazuhiko; Igarashi, Masayasu","Treating octasilanol [Si<sub>8</sub>O<sub>12</sub>][OH]<sub>8</sub> with tetramethoxysilane and trimethoxyvinylsilane: a halogen-free synthetic route to alkoxysilyl-substituted double-four-ring siloxanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1594","1598","10.1039/d0dt04265j","","","0.71075","MoKα","","0.0965","0.0659","","","0.152","0.1664","","","","","","0.967","","","","has coordinates,has disorder","262623","2021-03-05","01:59:34",""
"7706376","20.5979","0.0011","12.0244","0.0007","17.0561","0.0009","90","","97.202","0.002","90","","4191.1","0.4","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Ag2 Cl2 F12 N8 P2 -","- C39 H30 Ag2 Cl2 F12 N8 P2 -","- C156 H120 Ag8 Cl8 F48 N32 P8 -","4","0.5","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","1.34139","GaKα","","0.0351","0.0335","","","0.0855","0.0866","","","","","","1.047","","","","has coordinates,has disorder","262640","2021-03-05","02:04:17",""
"7706377","28.4267","0.0007","28.4267","0.0007","28.4267","0.0007","90","","90","","90","","22971","1","193","2","193","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C114 H84 Ag3 N26 O6 -","- C114 H84 Ag3 N26 O6 -","- C912 H672 Ag24 N208 O48 -","8","0.166667","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","1.34139","GaKα","","0.0491","0.0478","","","0.1265","0.1272","","","","","","1.112","","","","has coordinates","262640","2021-03-05","02:04:17",""
"7706378","9.953","0.002","13.918","0.003","25.775","0.005","90","","90","","90","","3570.5","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 Ag2 N10 O6 -","- C38 H28 Ag2 N10 O6 -","- C152 H112 Ag8 N40 O24 -","4","1","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","0.71073","MoKα","","0.0853","0.0431","","","0.0826","0.1015","","","","","","1.033","","","","has coordinates","262640","2021-03-05","02:04:17",""
"7706379","28.6728","0.0006","28.6728","0.0006","28.6728","0.0006","90","","90","","90","","23572.8","0.9","193","2","193","2","","","","","","","","7","I 41 3 2","I 4bd 2c 3","214","","","","- C114 H84 Ag3 F12 N24 O0 P2 -","- C114 H84 Ag3 F12 N24 P2 -","- C912 H672 Ag24 F96 N192 P16 -","8","0.166667","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","1.34139","GaKα","","0.0633","0.057","","","0.1528","0.1597","","","","","","1.148","","","","has coordinates","262640","2021-03-05","02:04:17",""
"7706380","10.959","0.0011","11.9156","0.0012","19.0477","0.0019","104.755","0.003","91.935","0.003","105.054","0.003","2309.4","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H28 Ag2 F6 N8 O6 S2 -","- C40 H28 Ag2 F6 N8 O6 S2 -","- C80 H56 Ag4 F12 N16 O12 S4 -","2","1","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","1.34139","GaKα","","0.0316","0.0296","","","0.084","0.0857","","","","","","1.016","","","","has coordinates,has disorder","262640","2021-03-05","02:04:17",""
"7706381","14.1282","0.0007","14.4177","0.0007","14.7363","0.0007","85.093","0.002","68.925","0.002","73.243","0.002","2681.5","0.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H56 Ag4 F12 N16 O12 S4 -","- C80 H56 Ag4 F12 N16 O12 S4 -","- C80 H56 Ag4 F12 N16 O12 S4 -","1","0.5","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","1.34139","GaKα","","0.1003","0.0869","","","0.2014","0.2083","","","","","","1.19","","","","has coordinates","262640","2021-03-05","02:04:17",""
"7706382","11.358","0.0014","11.963","0.001","13.696","0.0008","82.071","0.004","67.746","0.005","66.959","0.01","1584.8","0.3","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H82 Co6 N4 O28 -","- C50 H82 Co6 N4 O28 -","- C50 H82 Co6 N4 O28 -","1","0.5","","Cabrosi, Daiana; Cruz, Carlos; Paredes-García, Verónica; Alborés, Pablo","Anisotropic exchange interaction and field-induced SMM behaviour in a mixed valence {CoCo} complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1402","1412","10.1039/d0dt03075a","","","0.79986","synchrotron","","0.0673","0.0548","","","0.1355","0.1495","","","","","","1.038","","","","has coordinates,has disorder","261658","2021-02-04","23:12:17",""
"7706383","10.532","0.0004","8.4511","0.0003","13.5945","0.0005","90","","90","","90","","1210.01","0.08","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Ir K3 N6 -","- C6 Ir K3 N6 -","- C24 Ir4 K12 N24 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.0285","0.017","","","0.0385","0.0426","","","","","","1.208","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706384","9.4888","0.0003","17.0598","0.0006","9.4998","0.0003","90","","90.176","0.001","90","","1537.79","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 K4 N6 O3 Ru -","- C6 H6 K4 N6 O3 Ru -","- C24 H24 K16 N24 O12 Ru4 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.0182","0.0168","","","0.0419","0.0425","","","","","","1.127","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706385","10.3511","0.0005","8.3612","0.0004","13.3549","0.0007","90","","90","","90","","1155.83","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C24 Co4 K12 N24 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.1139","0.1002","","","0.2784","0.2496","","","","","","1.3","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706386","9.394","0.0004","16.8754","0.0008","9.3975","0.0004","90","","90.01","0.001","90","","1489.76","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Fe K4 N6 O3 -","- C6 H6 Fe K4 N6 O3 -","- C24 H24 Fe4 K16 N24 O12 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.0475","0.039","","","0.1168","0.1226","","","","","","1.115","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706387","7.3928","0.0004","7.3928","0.0004","6.6613","0.0003","90","","90","","120","","315.29","0.03","296","2","296","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","1","0.0833333","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.0119","0.0119","","","0.0281","0.0281","","","","","","1.21","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706388","9.4865","0.0003","17.0659","0.0006","9.4952","0.0003","90","","90.09","0.001","90","","1537.23","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 K4 N6 O3 Os -","- C6 H6 K4 N6 O3 Os -","- C24 H24 K16 N24 O12 Os4 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.018","0.0172","","","0.0552","0.0555","","","","","","1.248","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706389","10.5092","0.0016","8.4568","0.0012","13.5808","0.0019","90","","90","","90","","1207","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 K3 N6 Rh -","- C6 K3 N6 Rh -","- C24 K12 N24 Rh4 -","4","0.5","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.1172","0.0927","","","0.2851","0.3105","","","","","","1.241","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706390","18.614","0.005","11.155","0.003","23.874","0.006","90","","101.322","0.008","90","","4861","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 Br2 Dy F9 N2 O6 -","- C52 H30 Br2 Dy F9 N2 O6 -","- C208 H120 Br8 Dy4 F36 N8 O24 -","4","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","","0.71073","MoKα","","0.121","0.0513","","","0.0823","0.0985","","","","","","1.02","","","","has coordinates,has disorder","262631","2021-03-05","02:01:28",""
"7706391","20.699","0.005","11.435","0.003","20.275","0.005","90","","90","","90","","4799","2","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H31 Br Dy F9 N2 O6 -","- C52 H31 Br Dy F9 N2 O6 -","- C208 H124 Br4 Dy4 F36 N8 O24 -","4","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","","0.71073","MoKα","","0.0502","0.0322","","","0.0709","0.078","","","","","","1.011","","","","has coordinates,has disorder","262631","2021-03-05","02:01:31",""
"7706392","20.2733","0.0019","11.7442","0.001","19.7019","0.0018","90","","90","","90","","4690.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H36 Dy F9 N2 O6 -","- C54 H36 Dy F9 N2 O6 -","- C216 H144 Dy4 F36 N8 O24 -","4","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","","0.71073","MoKα","","0.0238","0.02","","","0.0435","0.0452","","","","","","1.026","","","","has coordinates","262631","2021-03-05","02:01:31",""
"7706393","12.6768","0.0013","15.0227","0.0014","16.5274","0.0014","81.837","0.007","73.573","0.008","66.289","0.009","2762.7","0.5","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Dy F9 N2 O6 -","- C60 H48 Dy F9 N2 O6 -","- C120 H96 Dy2 F18 N4 O12 -","2","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","x-ray","1.54184","CuKα","","0.0729","0.0525","","","0.1266","0.141","","","","","","1.032","","","","has coordinates,has disorder","262631","2021-03-05","02:01:31",""
"7706394","11.554","0.002","28.108","0.005","15.25","0.003","90","","104.622","0.005","90","","4792.2","1.5","296","","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H36 Dy F9 N2 O6 -","- C54 H36 Dy F9 N2 O6 -","- C216 H144 Dy4 F36 N8 O24 -","4","1","","Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu","Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2102","2111","10.1039/d0dt03780j","","","0.71073","MoKα","","0.1732","0.0851","","","0.2003","0.2487","","","","","","1.008","","","","has coordinates,has disorder","262631","2021-03-05","02:01:31",""
"7706395","17.597","0.003","10.83","0.002","11.8313","0.0018","90","","90","","90","","2254.8","0.7","100.15","","100.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C17 H6 Br2 Mn2 N4 O7 -","- C17 H6 Br2 Mn2 N4 O7 -","- C68 H24 Br8 Mn8 N16 O28 -","4","0.25","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","1.54178","CuKα","","0.1106","0.0616","","","0.1333","0.1538","","","","","","1.065","","","","has coordinates,has disorder","262597","2021-03-05","01:52:28",""
"7706396","6.3386","0.0003","11.9351","0.0006","12.3347","0.0006","90","","97.6407","0.0017","90","","924.86","0.08","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cl2 N4 O6 Re2 -","- C14 H6 Cl2 N4 O6 Re2 -","- C28 H12 Cl4 N8 O12 Re4 -","2","0.5","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","0.71073","MoKα","","0.0304","0.0267","","","0.0478","0.0485","","","","","","1.401","","","","has coordinates,has disorder","262597","2021-03-05","01:52:31",""
"7706397","6.6093","0.0003","6.6618","0.0003","14.8504","0.0008","102.357","0.0017","93.1195","0.0018","102.383","0.0017","620.4","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H6 Br Mn N4 O3 -","- C11 H6 Br Mn N4 O3 -","- C22 H12 Br2 Mn2 N8 O6 -","2","1","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","0.71073","MoKα","","0.0411","0.0289","","","0.0572","0.0605","","","","","","1.04","","","","has coordinates","262597","2021-03-05","01:52:34",""
"7706398","6.438","0.0006","8.3336","0.0007","9.498","0.0009","98.88","0.007","100.604","0.007","96.117","0.007","490.08","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Br2 Mn2 N4 O6 -","- C14 H6 Br2 Mn2 N4 O6 -","- C14 H6 Br2 Mn2 N4 O6 -","1","0.5","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","1.54178","CuKα","","0.1034","0.0702","","","0.1569","0.1759","","","","","","1.062","","","","has coordinates","262597","2021-03-05","01:52:36",""
"7706399","6.4216","0.0002","14.7565","0.0006","13.5124","0.0005","90","","102.033","0.0012","90","","1252.3","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br Mn N4 O3 -","- C11 H6 Br Mn N4 O3 -","- C44 H24 Br4 Mn4 N16 O12 -","4","1","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","0.71073","MoKα","","0.0476","0.0309","","","0.0638","0.0687","","","","","","1.045","","","","has coordinates","262597","2021-03-05","01:52:36",""
"7706400","17.6165","0.0008","10.9052","0.0005","11.824","0.0006","90","","90","","90","","2271.53","0.19","100","2","100","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C17 H12 Br2 Mn N4 O7 Re -","- C17 H12 Br2 Mn N4 O7 Re -","- C68 H48 Br8 Mn4 N16 O28 Re4 -","4","0.25","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","0.71073","MoKα","","0.0448","0.0286","","","0.0489","0.0519","","","","","","1.06","","","","has coordinates,has disorder","262597","2021-03-05","01:52:36",""
"7706401","6.2872","0.0003","14.9679","0.0007","13.4775","0.0007","90","","102.408","0.002","90","","1238.69","0.11","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cl N4 O3 Re -","- C11 H6 Cl N4 O3 Re -","- C44 H24 Cl4 N16 O12 Re4 -","4","1","","Henke, Wade C.; Kerr, Tyler A.; Sheridan, Thomas R.; Henling, Lawrence M.; Takase, Michael K.; Day, Victor W.; Gray, Harry B.; Blakemore, James D.","Synthesis, structural studies, and redox chemistry of bimetallic [Mn(CO)<sub>3</sub>] and [Re(CO)<sub>3</sub>] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2746","2756","10.1039/d0dt03666h","","","0.71073","MoKα","","0.0226","0.0212","","","0.0453","0.0457","","","","","","1.252","","","","has coordinates,has disorder","262597","2021-03-05","01:52:36",""
"7706402","15.0307","0.0009","9.7034","0.0006","20.4134","0.0012","90","","104.02","0.0024","90","","2888.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H49 N2 O P -","- C25 H41 N2 P -","- C100 H164 N8 P4 -","4","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","0.71073","MoKα","","0.0608","0.0405","","","0.1018","0.1136","","","","","","1.005","","","","has coordinates","262614","2021-03-05","01:57:17",""
"7706403","11.1141","0.0008","13.0309","0.0009","14.5537","0.001","107.342","0.001","102.554","0.001","96.167","0.001","1930","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H61 N2 P -","- C37 H49 N2 P -","- C74 H98 N4 P2 -","2","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","0.71073","MoKα","","0.0589","0.0425","","","0.1108","0.1213","","","","","","1.036","","","","has coordinates","262614","2021-03-05","01:57:17",""
"7706404","9.921","0.002","18.279","0.004","17.314","0.004","90","","101.82","0.03","90","","3073.2","1.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 P2 -","- C33 H46 P2 -","- C132 H184 P8 -","4","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","1.54178","CuKα","","0.0483","0.0423","","","0.1114","0.1157","","","","","","1.007","","","","has coordinates","262614","2021-03-05","01:57:17",""
"7706405","9.8045","0.0004","17.1656","0.0008","24.305","0.0011","86.6392","0.0022","87.4849","0.0022","84.6245","0.0021","4062.5","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H128 N4 P2 -","- C88 H128 N4 P2 -","- C176 H256 N8 P4 -","2","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","1.54178","CuKα","","0.0595","0.0502","","","0.1363","0.1454","","","","","","1.025","","","","has coordinates,has disorder","262614","2021-03-05","01:57:17",""
"7706406","10.425","0.001","13.7255","0.0013","16.5992","0.0016","77.9987","0.0025","74.615","0.0025","71.7355","0.0025","2154.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H71 N2 P -","- C48 H71 N2 P -","- C96 H142 N4 P2 -","2","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","0.71073","MoKα","","0.073","0.053","","","0.1334","0.1482","","","","","","1.013","","","","has coordinates,has disorder","262614","2021-03-05","01:57:17",""
"7706407","14.9777","0.0003","17.4497","0.0003","19.38","0.0004","90","","106.613","0.001","90","","4853.67","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H81 N2 P -","- C46 H67 N2 P -","- C184 H268 N8 P4 -","4","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","1.54178","CuKα","","0.0615","0.0514","","","0.1363","0.1458","","","","","","1.036","","","","has coordinates","262614","2021-03-05","01:57:17",""
"7706408","10.6116","0.0003","10.7511","0.0003","22.982","0.0006","83.9073","0.0011","80.6522","0.0011","67.69","0.001","2390.61","0.12","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H75 N2 P -","- C52 H63 N2 P -","- C104 H126 N4 P2 -","2","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","1.54178","CuKα","","0.0458","0.0407","","","0.1116","0.1168","","","","","","1.041","","","","has coordinates","262614","2021-03-05","01:57:17",""
"7706409","13.3114","0.0004","18.0342","0.0005","24.3084","0.0007","90","","104.235","0.0019","90","","5656.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C63 H87 N2 P -","- C58 H75 N2 P -","- C232 H300 N8 P4 -","4","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","1.54178","CuKα","","0.0665","0.0521","","","0.1434","0.1579","","","","","","1.026","","","","has coordinates,has disorder","262614","2021-03-05","01:57:17",""
"7706410","8.324","0.002","10.832","0.003","16.967","0.004","80.3487","0.0038","76.236","0.0036","73.6442","0.0037","1417.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H41 N2 P -","- C33 H41 N2 P -","- C66 H82 N4 P2 -","2","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","0.71073","MoKα","","0.1029","0.0559","","","0.1242","0.1467","","","","","","1.005","","","","has coordinates","262614","2021-03-05","01:57:17",""
"7706411","10.4692","0.0004","18.3677","0.0007","23.4081","0.0009","90","","100.562","0.002","90","","4425","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 N2 P -","- C48 H69 N2 P -","- C192 H276 N8 P4 -","4","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","1.54178","CuKα","","0.0534","0.0496","","","0.1326","0.1369","","","","","","1.046","","","","has coordinates,has disorder","262614","2021-03-05","01:57:17",""
"7706412","9.0953","0.0009","12.8174","0.0012","22.854","0.002","86.172","0.003","87.117","0.003","69.713","0.003","2492.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H72 N2 P -","- C54 H65 N2 P -","- C108 H130 N4 P2 -","2","1","","Gupta, Priyanka; Siewert, Jan-Erik; Wellnitz, Tim; Fischer, Malte; Baumann, Wolgang; Beweries, Torsten; Hering-Junghans, Christian","Reactivity of phospha-Wittig reagents towards NHCs and NHOs.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1838","1844","10.1039/d1dt00071c","","","0.71073","MoKα","","0.0697","0.0473","","","0.1201","0.1346","","","","","","1.027","","","","has coordinates,has disorder","262614","2021-03-05","01:57:17",""
"7706413","10.532","0.0004","8.4511","0.0003","13.5945","0.0005","90","","90","","90","","1210.01","0.08","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Ir K3 N6 -","- C6 Ir K3 N6 -","- C24 Ir4 K12 N24 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.0285","0.017","","","0.0385","0.0426","","","","","","1.208","","","","has coordinates","262661","2021-03-05","02:09:59",""
"7706414","9.4888","0.0003","17.0598","0.0006","9.4998","0.0003","90","","90.176","0.001","90","","1537.79","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 K4 N6 O3 Ru -","- C6 H6 K4 N6 O3 Ru -","- C24 H24 K16 N24 O12 Ru4 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.0182","0.0168","","","0.0419","0.0425","","","","","","1.127","","","","has coordinates","262661","2021-03-05","02:09:59",""
"7706415","9.4865","0.0003","17.0659","0.0006","9.4952","0.0003","90","","90.09","0.001","90","","1537.23","0.09","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 K4 N6 O3 Os -","- C6 H6 K4 N6 O3 Os -","- C24 H24 K16 N24 O12 Os4 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.018","0.0172","","","0.0552","0.0555","","","","","","1.248","","","","has coordinates","262661","2021-03-05","02:09:59",""
"7706416","9.394","0.0004","16.8754","0.0008","9.3975","0.0004","90","","90.01","0.001","90","","1489.76","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Fe K4 N6 O3 -","- C6 H6 Fe K4 N6 O3 -","- C24 H24 Fe4 K16 N24 O12 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.0475","0.039","","","0.1168","0.1226","","","","","","1.115","","","","has coordinates","262661","2021-03-05","02:09:59",""
"7706417","10.3511","0.0005","8.3612","0.0004","13.3549","0.0007","90","","90","","90","","1155.83","0.1","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 Co K3 N6 -","- C6 Co K3 N6 -","- C24 Co4 K12 N24 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.1139","0.1002","","","0.2784","0.2496","","","","","","1.3","","","","has coordinates","262661","2021-03-05","02:10:00",""
"7706418","7.3928","0.0004","7.3928","0.0004","6.6613","0.0003","90","","90","","120","","315.29","0.03","296","2","296","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","1","0.0833333","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.0119","0.0119","","","0.0281","0.0281","","","","","","1.21","","","","has coordinates","262661","2021-03-05","02:10:00",""
"7706419","10.5092","0.0016","8.4568","0.0012","13.5808","0.0019","90","","90","","90","","1207","0.3","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C6 K3 N6 Rh -","- C6 K3 N6 Rh -","- C24 K12 N24 Rh4 -","4","0.5","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.1172","0.0927","","","0.2851","0.3105","","","","","","1.241","","","","has coordinates","262661","2021-03-05","02:10:00",""
"7706420","14.5822","0.0005","14.8285","0.0005","20.4738","0.0007","90","","110.419","0.002","90","","4148.9","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 B Cu F4 N2 P2 -","- C48 H42 B Cu F4 N2 P2 -","- C192 H168 B4 Cu4 F16 N8 P8 -","4","1","","Sequeira, Diogo; Baptista, Pedro V.; Valente, Ruben; Piedade, M Fátima M; Garcia, M. Helena; Morais, Tânia S; Fernandes, Alexandra R.","Cu(I) complexes as new antiproliferative agents against sensitive and doxorubicin resistant colorectal cancer cells: synthesis, characterization, and mechanisms of action.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1845","1865","10.1039/d0dt03566a","","","0.71073","MoKα","","0.0457","0.0348","","","0.0882","0.0933","","","","","","1.024","","","","has coordinates","262616","2021-03-05","01:57:52",""
"7706421","12.8537","0.0005","13.647","0.0005","15.3142","0.0005","84.236","0.002","81.186","0.001","78.631","0.002","2595.67","0.16","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H46 B Cl2 Cu F4 N4 P2 -","- C57 H46 B Cl2 Cu F4 N4 P2 -","- C114 H92 B2 Cl4 Cu2 F8 N8 P4 -","2","1","","Sequeira, Diogo; Baptista, Pedro V.; Valente, Ruben; Piedade, M Fátima M; Garcia, M. Helena; Morais, Tânia S; Fernandes, Alexandra R.","Cu(I) complexes as new antiproliferative agents against sensitive and doxorubicin resistant colorectal cancer cells: synthesis, characterization, and mechanisms of action.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1845","1865","10.1039/d0dt03566a","","","0.71073","MoKα","","0.0563","0.0509","","","0.1465","0.1502","","","","","","1.05","","","","has coordinates","262616","2021-03-05","01:57:53",""
"7706422","4.5998","0.0005","4.5998","0.0005","7.7037","0.001","90","","90","","120","","141.16","0.03","293","2","293.15","","","","","","","","","6","P -3","-P 3","147","","","","- B2 Ba Be2 F2 O6 Zn -","- B2 Ba Be2 F2 O6 Zn -","- B2 Ba Be2 F2 O6 Zn -","1","0.166667","","Guo, Ruixin; Liu, Xiaomeng; Tao, Ce; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Lin, Zheshuai; Wang, Xiaoyang","BaZnBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a novel zinc-beryllium borate with SBBO-type structure overcoming the polymorphism problem.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2138","2142","10.1039/d0dt04153j","","","0.71073","MoKα","","0.0211","0.0203","","","0.049","0.05","","","","","","1.113","","","","has coordinates","262637","2021-03-05","02:03:17",""
"7706423","18.08","0.002","18.08","0.002","20.905","0.003","90","","90","","120","","5918","1.3","150","2","150","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C21 H53 N3 Na O79 Si Tb3 W12 -","- C21 H53.0004 N3 Na O79.0003 Si Tb3 W12 -","- C63 H159.001 N9 Na3 O237.001 Si3 Tb9 W36 -","3","0.333333","","Samaniyan, Maryam; Mirzaei, Masoud; Gomila, Rosa M.; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Mague, Joel T.; Pour, Ali Nakhaei; Frontera, Antonio","Supramolecular network of a framework material supported by the anion-π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1895","1900","10.1039/d0dt03891a","","","0.71073","MoKα","","0.0394","0.0357","","","0.0909","0.092","","","","","","1.098","","","","has coordinates,has disorder","262625","2021-03-05","01:59:58",""
"7706424","9.7305","0.0003","10.3706","0.0004","13.6626","0.0005","78.159","0.003","80.22","0.003","79.813","0.003","1315.27","0.08","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H90 N4 O17 Ti4 -","- C38 H90 N4 O17 Ti4 -","- C38 H90 N4 O17 Ti4 -","1","0.5","","Neto, Antonio de Brito Santiago; Alves da Cruz, Márcia Gabriely; Jeanneau, Erwann; Oliveira, Alcineia Conceição; Essayem, Nadine; Mishra, Shashank","Designed sol-gel precursors for atomically dispersed Nb and Pb within TiO<sub>2</sub> as catalysts for dihydroxyacetone transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1604","1609","10.1039/d0dt03726e","","","0.7107","MoKα","","0.0781","0.0586","","0.1635","0.1397","0.1635","","","","","","1.028","","","","has coordinates","262619","2021-03-05","01:58:47",""
"7706425","16.674","0.003","10.4513","0.0013","22.478","0.003","90","","108.767","0.015","90","","3708.9","1","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H20 N2 O4 Pb2 -","- C10 H20 N2 O4 Pb2 -","- C80 H160 N16 O32 Pb16 -","8","1","","Neto, Antonio de Brito Santiago; Alves da Cruz, Márcia Gabriely; Jeanneau, Erwann; Oliveira, Alcineia Conceição; Essayem, Nadine; Mishra, Shashank","Designed sol-gel precursors for atomically dispersed Nb and Pb within TiO<sub>2</sub> as catalysts for dihydroxyacetone transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1604","1609","10.1039/d0dt03726e","","x-ray","0.71073","MoKα","","0.0628","0.0499","","","0.128","0.1403","","","","","","1.126","","","","has coordinates","262619","2021-03-05","01:58:47",""
"7706426","12.8106","0.0013","10.2674","0.0013","18.4561","0.0018","90","","106.473","0.01","90","","2327.9","0.5","150.01","0.1","150.01","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C12 H27 N2 Nb2 O8 -","- C12 H27 N2 Nb2 O8 -","- C48 H108 N8 Nb8 O32 -","4","1","","Neto, Antonio de Brito Santiago; Alves da Cruz, Márcia Gabriely; Jeanneau, Erwann; Oliveira, Alcineia Conceição; Essayem, Nadine; Mishra, Shashank","Designed sol-gel precursors for atomically dispersed Nb and Pb within TiO<sub>2</sub> as catalysts for dihydroxyacetone transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1604","1609","10.1039/d0dt03726e","","x-ray","0.71073","MoKα","","0.0979","0.0809","","","0.2233","0.2488","","","","","","1.086","","","","has coordinates","262619","2021-03-05","01:58:47",""
"7706427","8.3792","0.0002","17.0809","0.0004","18.6707","0.0004","90","","90","","90","","2672.23","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N3 O2 P -","- C27 H41 N3 O2 P -","- C108 H164 N12 O8 P4 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Del Águila-Sánchez, Miguel A; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, crystal structures and magnetic properties of a P-stereogenic <i>ortho</i>-(4-amino-tempo)phosphinic amide radical and its Cu<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2585","2595","10.1039/d0dt04298f","","","1.54178","CuKα","","0.0349","0.03","","","0.0719","0.075","","","","","","1.05","","","","has coordinates","262660","2021-03-05","02:09:40",""
"7706428","14.6129","0.0003","15.1415","0.0004","21.6411","0.0005","90","","90","","90","","4788.34","0.19","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H51 Cu F12 N3 O6 P -","- C44 H51 Cu F12 N3 O6 P -","- C176 H204 Cu4 F48 N12 O24 P4 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Del Águila-Sánchez, Miguel A; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, crystal structures and magnetic properties of a P-stereogenic <i>ortho</i>-(4-amino-tempo)phosphinic amide radical and its Cu<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2585","2595","10.1039/d0dt04298f","","","1.54178","CuKα","","0.0405","0.0341","","","0.0815","0.084","","","","","","1.035","","","","has coordinates","262660","2021-03-05","02:09:49",""
"7706429","17.1879","0.0003","21.852","0.0004","18.7739","0.0004","90","","90","","90","","7051.3","0.2","130","2","130","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C20 H28 Li N3 O11 S2 Zn -","- C20.001 H26.001 Li N3 O10.001 S2 Zn -","- C160.008 H208.008 Li8 N24 O80.008 S16 Zn8 -","8","1","","Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.","Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2807","2814","10.1039/d0dt04047a","","x-ray","0.71073","MoKα","","0.0711","0.0587","","","0.1932","0.2043","","","","","","1.083","","","","has coordinates,has disorder","262600","2021-03-05","01:54:01",""
"7706430","10.4559","0.0002","16.5321","0.0004","24.7285","0.0005","90","","90","","90","","4274.52","0.16","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H38 Li2 N4 O21 Zn2 -","- C24 H20 Li2 N2 O17 Zn2 -","- C96 H80 Li8 N8 O68 Zn8 -","4","1","","Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.","Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2807","2814","10.1039/d0dt04047a","","x-ray","0.71073","MoKα","","0.0392","0.0365","","","0.087","0.0881","","","","","","1.059","","","","has coordinates,has disorder","262600","2021-03-05","01:54:02",""
"7706431","17.9814","0.0004","11.0946","0.0002","27.7903","0.0007","90","","90.1","0.002","90","","5544.1","0.2","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 Li4 N12 O37 S6 Zn4 -","- C72 H96 Li4 N12 O37 S6 Zn4 -","- C144 H192 Li8 N24 O74 S12 Zn8 -","2","0.5","","Sapianik, Aleksandr A.; Barsukova, Marina O.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Fedin, Vladimir P.","Heterometallic MOFs constructed from thiophene and furandicarboxylate ligands for heavy metal luminescence sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2807","2814","10.1039/d0dt04047a","","x-ray","0.71073","MoKα","","0.0738","0.0689","","","0.1822","0.1849","","","","","","1.164","","","","has coordinates,has disorder","262600","2021-03-05","01:54:02",""
"7706432","19.7797","0.0012","10.8099","0.0006","18.3616","0.0011","90","","111.076","0.003","90","","3663.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H43 Ga N8 O5 -","- C37 H43 Ga N8 O5 -","- C148 H172 Ga4 N32 O20 -","4","0.5","","Prado, Viviana S.; Leitao, Renan C. F.; Silva, Francisco; Gano, Lurdes; Santos, Isabel C.; Marques, Fabio L. N.; Paulo, António; Deflon, Victor M.","Gallium and indium complexes with new hexadentate bis(semicarbazone) and bis(thiosemicarbazone) chelators.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1631","1640","10.1039/d0dt04028b","","","0.71073","MoKα","","0.0585","0.0447","","","0.1157","0.1208","","","","","","1.048","","","","has coordinates","262615","2021-03-05","01:57:28",""
"7706433","9.9982","0.0002","14.1528","0.0004","26.1451","0.0007","90","","95.532","0.002","90","","3682.37","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 In N8 O3 S2 -","- C29 H43 In N8 O3 S2 -","- C116 H172 In4 N32 O12 S8 -","4","1","","Prado, Viviana S.; Leitao, Renan C. F.; Silva, Francisco; Gano, Lurdes; Santos, Isabel C.; Marques, Fabio L. N.; Paulo, António; Deflon, Victor M.","Gallium and indium complexes with new hexadentate bis(semicarbazone) and bis(thiosemicarbazone) chelators.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1631","1640","10.1039/d0dt04028b","","","0.71073","MoKα","","0.0653","0.0435","","","0.1019","0.1093","","","","","","1.041","","","","has coordinates","262615","2021-03-05","01:57:39",""
"7706434","9.2657","0.0007","22.2015","0.0016","15.3398","0.0011","90","","97.713","0.002","90","","3127","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Co2 N9 O8 -","- C28 H32 Co2 N9 O8 -","- C112 H128 Co8 N36 O32 -","4","1","","Banerjee, Abhisek; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Phenoxo-bridged dinuclear mixed valence cobalt(III/II) complexes with reduced Schiff base ligands: synthesis, characterization, band gap measurements and fabrication of Schottky barrier diodes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1721","1732","10.1039/d0dt03707a","","","0.71073","MoKα","","0.0701","0.0621","","","0.1672","0.1798","","","","","","1.177","","","","has coordinates","262624","2021-03-05","01:59:46",""
"7706435","9.5254","0.0008","22.8815","0.0017","15.1233","0.0014","90","","96.535","0.003","90","","3274.8","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Co2 N9 O8 -","- C30 H36 Co2 N9 O8 -","- C120 H144 Co8 N36 O32 -","4","1","","Banerjee, Abhisek; Das, Dhananjoy; Ray, Partha Pratim; Banerjee, Snehasis; Chattopadhyay, Shouvik","Phenoxo-bridged dinuclear mixed valence cobalt(III/II) complexes with reduced Schiff base ligands: synthesis, characterization, band gap measurements and fabrication of Schottky barrier diodes.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1721","1732","10.1039/d0dt03707a","","","0.71073","MoKα","","0.0817","0.0751","","","0.2162","0.2259","","","","","","1.032","","","","has coordinates,has disorder","262624","2021-03-05","01:59:46",""
"7706436","21.463","0.016","8.882","0.007","9.942","0.008","90","","96.899","0.012","90","","1882","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H21 Cr2 Na3 O22 -","- C4 H21 Cr2 Na3 O22 -","- C16 H84 Cr8 Na12 O88 -","4","0.5","","Dong, Zhi-Qiang; Yang, Jian-Hui; Liu, Bin","Chromous carbonates containing a square-grid layer of {Cr<sub>2</sub>(CO<sub>3</sub>)<sub>4</sub>}<sub> <i>n</i> </sub><sup>4<i>n</i>-</sup> based on a dichromium(II,II) paddlewheel core.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2387","2392","10.1039/d0dt04160b","","","0.71073","MoKα","","0.1213","0.1056","","","0.2729","0.284","","","","","","1.11","","","","has coordinates","262656","2021-03-05","02:08:24",""
"7706437","11.601","0.002","12.454","0.002","13.378","0.003","91.96","0.02","101.72","0.03","90.14","0.02","1891.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Cl4 Ga2 -","- C34 H58 Cl4 Ga2 -","- C68 H116 Cl8 Ga4 -","2","1","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0599","0.0385","","","0.0934","0.1036","","","","","","1.065","","","","has coordinates","262630","2021-03-05","02:01:08",""
"7706438","10.845","0.002","11.25","0.003","11.306","0.003","82.69","0.02","61.37","0.02","74.03","0.03","1164","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H29 Ga2 I3 -","- C17 H29 Ga2 I3 -","- C34 H58 Ga4 I6 -","2","1","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0281","0.0238","","","0.0561","0.0581","","","","","","1.043","","","","has coordinates","262630","2021-03-05","02:01:08",""
"7706439","9.494","0.002","10.197","0.002","12.616","0.003","71.33","0.02","73.77","0.02","77.36","0.03","1099.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H76 Br2 In2 -","- C42 H76 Br2 In2 -","- C42 H76 Br2 In2 -","1","0.5","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0497","0.035","","","0.0692","0.0748","","","","","","1.01","","","","has coordinates","262630","2021-03-05","02:01:08",""
"7706440","9.984","0.002","23.624","0.003","17.26","0.002","90","","99.89","0.02","90","","4010.5","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Ga2 I4 -","- C34 H58 Ga2 I4 -","- C136 H232 Ga8 I16 -","4","1","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0508","0.0291","","","0.0545","0.0616","","","","","","1.021","","","","has coordinates","262630","2021-03-05","02:01:08",""
"7706441","27.222","0.003","8.752","0.002","19.398","0.002","90","","106.84","0.02","90","","4423.3","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H29 Br0.31 Cl2.69 Sn2 -","- C17 H29 Br0.3093 Cl2.6907 Sn2 -","- C136 H232 Br2.4744 Cl21.5256 Sn16 -","8","1","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0163","0.014","","","0.032","0.0329","","","","","","1.046","","","","has coordinates,has disorder","262630","2021-03-05","02:01:08",""
"7706442","15.744","0.002","24.553","0.004","11.926","0.002","90","","90","","90","","4610.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H37 Cl2 Ga O -","- C21 H37 Cl2 Ga O -","- C168 H296 Cl16 Ga8 O8 -","8","2","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0394","0.0293","","","0.0678","0.0724","","","","","","1.043","","","","has coordinates","262630","2021-03-05","02:01:08",""
"7706443","17.206","0.002","9.715","0.002","25.399","0.003","90","","90","","90","","4245.6","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H29 Cl3 Ge2 -","- C17 H29 Cl3 Ge2 -","- C136 H232 Cl24 Ge16 -","8","1","","Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.","Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2067","2074","10.1039/d0dt04412a","","","0.71073","MoKα","","0.0299","0.0271","","","0.0614","0.0622","","","","","","1.232","","","","has coordinates,has disorder","262630","2021-03-05","02:01:08",""
"7706444","20.7532","0.0014","11.7938","0.001","19.5101","0.0014","90","","109.048","0.002","90","","4513.8","0.6","140","2","140","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Co N14 O S2 -","- C46 H42 Co N14 O S2 -","- C184 H168 Co4 N56 O4 S8 -","4","1","","Kharwar, Ajit Kumar; Mondal, Arpan; Konar, Sanjit","Alignment of axial anisotropy of a mononuclear hexa-coordinated Co(II) complex in a lattice shows improved single molecule magnetic behavior over a 2D coordination polymer having a similar ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2832","2840","10.1039/d0dt04065g","","","0.71073","MoKα","","0.09","0.0607","","","0.1198","0.13","","","","","","1.13","","","","has coordinates,has disorder","262608","2021-03-05","01:56:05",""
"7706445","14.4362","0.0008","14.7992","0.0008","16.4497","0.0008","95.979","0.002","114.333","0.002","91.691","0.003","3174.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","Ag14(SPri)6(C9F14O4)4(DMF)8","","","- C39 H49 Ag7 F28 N4 O12 S3 -","- C39 H49 Ag7 F28 N4 O12 S3 -","- C78 H98 Ag14 F56 N8 O24 S6 -","2","1","","Zhuge, Jing; Rouhani, Farzaneh; Bigdeli, Fahime; Gao, Xue-Mei; Kaviani, Hamed; Li, Hong-Jing; Wang, Wei; Hu, Mao-Lin; Liu, Kuan-Guan; Morsali, Ali","Stable supercapacitor electrode based on two-dimensional high nucleus silver nano-clusters as a green energy source.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2606","2615","10.1039/d0dt03608k","","","0.71073","MoKα","","0.0692","0.0425","","","0.1044","0.1192","","","","","","1.017","","","","has coordinates","262651","2021-03-05","02:07:18",""
"7706446","15.9856","0.0004","12.4306","0.0002","29.7067","0.0006","90","","97.483","0.002","90","","5852.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H53 B Bi Cl2 F15 N2 -","- C63 H53 B Bi Cl2 F15 N2 -","- C252 H212 B4 Bi4 Cl8 F60 N8 -","4","1","","Ho, Luong Phong; Tamm, Matthias","Stabilization of a bismuth-bismuth double bond by anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1202","1205","10.1039/d1dt00140j","","","0.71073","MoKα","","0.0557","0.05","","","0.1108","0.1126","","","","","","1.242","","","","has coordinates,has disorder","261651","2021-02-04","23:10:41",""
"7706447","15.4427","0.0002","12.4752","0.0001","24.6006","0.0002","90","","96.835","0.001","90","","4705.64","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 B Bi F15 N2 -","- C51 H41 B Bi F15 N2 -","- C204 H164 B4 Bi4 F60 N8 -","4","1","","Ho, Luong Phong; Tamm, Matthias","Stabilization of a bismuth-bismuth double bond by anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1202","1205","10.1039/d1dt00140j","","","0.71073","MoKα","","0.084","0.0556","","","0.1292","0.1401","","","","","","1.049","","","","has coordinates","261651","2021-02-04","23:10:41",""
"7706448","10.3255","0.0006","22.7235","0.0011","8.0546","0.0005","90","","101.849","0.006","90","","1849.59","0.19","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H16 Cu N4 O12 -","- C14 H16 Cu N4 O12 -","- C56 H64 Cu4 N16 O48 -","4","1","","Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2627","2638","10.1039/d0dt04061d","","x-ray","0.71073","MoKα","","0.0391","0.0336","","","0.0714","0.0745","","","","","","1.054","","","","has coordinates","262647","2021-03-05","02:05:43",""
"7706449","7.7848","0.0005","9.0261","0.0006","11.904","0.0005","101.778","0.004","100.435","0.004","109.621","0.006","742.48","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 Cl4 Cu2 N4 O8 S2 -","- C24 H20 Cl4 Cu2 N4 O8 S2 -","- C24 H20 Cl4 Cu2 N4 O8 S2 -","1","0.5","","Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2627","2638","10.1039/d0dt04061d","","x-ray","1.54184","CuKα","","0.0465","0.04","","","0.1044","0.1108","","","","","","1.074","","","","has coordinates","262647","2021-03-05","02:05:44",""
"7706450","9.1313","0.0006","24.6456","0.0011","8.5875","0.0005","90","","106.946","0.007","90","","1848.67","0.19","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cu N4 O11 S -","- C13 H14 Cu N4 O11 S -","- C52 H56 Cu4 N16 O44 S4 -","4","1","","Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2627","2638","10.1039/d0dt04061d","","x-ray","0.71073","MoKα","","0.0556","0.0382","","","0.0769","0.0846","","","","","","1.031","","","","has coordinates","262647","2021-03-05","02:05:44",""
"7706451","12.0032","0.0007","17.3134","0.0008","7.6901","0.0004","90","","99.719","0.005","90","","1575.19","0.14","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl4 Cu2 N4 O8 S2 -","- C26 H24 Cl4 Cu2 N4 O8 S2 -","- C52 H48 Cl8 Cu4 N8 O16 S4 -","2","0.5","","Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2627","2638","10.1039/d0dt04061d","","x-ray","0.71073","MoKα","","0.04","0.0315","","","0.0732","0.0787","","","","","","1.048","","","","has coordinates","262647","2021-03-05","02:05:44",""
"7706452","7.881","0.0003","12.4005","0.0004","20.9376","0.0006","79.593","0.003","88.991","0.002","88.486","0.003","2011.66","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cu N4 O13 S -","- C12 H16 Cu N4 O13 S -","- C48 H64 Cu4 N16 O52 S4 -","4","2","","Andrejević, Tina P; Aleksic, Ivana; Počkaj, Marta; Kljun, Jakob; Milivojevic, Dusan; Stevanović, Nevena Lj; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I; Glišić, Biljana Đ","Tailoring copper(ii) complexes with pyridine-4,5-dicarboxylate esters for anti-Candida activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2627","2638","10.1039/d0dt04061d","","x-ray","0.71073","MoKα","","0.0473","0.0378","","","0.0961","0.1029","","","","","","1.057","","","","has coordinates","262647","2021-03-05","02:05:44",""
"7706453","11.1445","0.0001","21.2912","0.0001","18.9587","0.0001","90","","100.735","0.001","90","","4419.79","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H59 Ir O4 Ta -","- C49 H59 Ir O4 Ta -","- C196 H236 Ir4 O16 Ta4 -","4","1","","Del Rosal, Iker; Lassalle, Sébastien; Dinoi, Chiara; Thieuleux, Chloé; Maron, Laurent; Camp, Clément","Mechanistic investigations via DFT support the cooperative heterobimetallic C-H and O-H bond activation across Ta[double bond, length as m-dash]Ir multiple bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","504","510","10.1039/d0dt03818k","","x-ray","0.71073","MoKα","","0.0336","0.0266","","","0.0538","0.0571","","","","","","1.078","","","","has coordinates","261074","2021-01-20","03:12:44",""
"7706454","16.8917","0.0006","16.8917","0.0006","7.7823","0.0005","90","","90","","90","","2220.52","0.18","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- F2.5 H16 N6.5 O7 Ru -","- F2.5 H12 N6.25 O6.25 Ru -","- F20 H96 N50 O50 Ru8 -","8","0.5","","Mikhailov, Artem A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Pishchur, Denis P.; Kostin, Gennadiy A.","Remarkable thermal stability of light-induced Ru-ON linkage isomers in mixed salts of a ruthenium amine complex with a <i>trans</i>-ON-Ru-F coordinate.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2864","2871","10.1039/d0dt04323k","","","0.71073","MoKα","","0.0466","0.0459","","","0.113","0.1134","","","","","","1.248","","","","has coordinates,has disorder","262609","2021-03-05","01:56:18",""
"7706455","11.4314","0.0017","7.4565","0.0011","12.5251","0.0017","90","","101.184","0.004","90","","1047.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cl2 F H12 N5 O5 Ru -","- Cl2 F H12 N5 O5 Ru -","- Cl8 F4 H48 N20 O20 Ru4 -","4","1","","Mikhailov, Artem A.; Sukhikh, Taisiya S.; Kuratieva, Natalia V.; Pishchur, Denis P.; Kostin, Gennadiy A.","Remarkable thermal stability of light-induced Ru-ON linkage isomers in mixed salts of a ruthenium amine complex with a <i>trans</i>-ON-Ru-F coordinate.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2864","2871","10.1039/d0dt04323k","","x-ray","0.71073","MoKα","","0.0211","0.0178","","","0.0433","0.0446","","","","","","1.029","","","","has coordinates","262609","2021-03-05","01:56:18",""
"7706456","10.5738","0.0004","10.5738","0.0004","24.7974","0.001","90","","90","","120","","2401.04","0.16","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C38.96 H25 Eu3 O20.96 -","- C38.9598 H25.0006 Eu3 O20.96 -","- C77.9196 H50.0012 Eu6 O41.92 -","2","0.166667","","Xia, Tifeng; Wan, Yating; Yan, Xiayan; Hu, Li; Wu, Zhigang; Zhang, Jun","The ratiometric detection of the biomarker Ap5A for dry eye disease and physiological temperature using a rare trinuclear lanthanide metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2792","2799","10.1039/d0dt03647a","","","0.71073","MoKα","","0.0428","0.0405","","","0.1031","0.1043","","","","","","1.175","","","","has coordinates,has disorder","262606","2021-03-05","01:55:43",""
"7706457","6.1448","0.0003","16.4016","0.0006","7.6331","0.0003","90","","92.289","0.003","90","","768.68","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 N7 O4 -","- C4 H5 N7 O4 -","- C16 H20 N28 O16 -","4","1","","Tang, Yongxing; Li, Kejia; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Mono-N-oxidation of heterocycle-fused pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2143","2148","10.1039/d0dt03260c","","x-ray","1.54184","CuKα","","0.0458","0.0409","","","0.1096","0.114","","","","","","1.069","","","","has coordinates","262644","2021-03-05","02:05:15",""
"7706458","14.9237","0.0004","14.9237","0.0004","7.6656","0.0003","90","","90","","90","","1707.26","0.09","100","0.11","100","0.11","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C4 H6 N6 O3 -","- C4 H6 N6 O3 -","- C32 H48 N48 O24 -","8","1","","Tang, Yongxing; Li, Kejia; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Mono-N-oxidation of heterocycle-fused pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2143","2148","10.1039/d0dt03260c","","x-ray","1.54184","CuKα","","0.067","0.0613","","","0.1468","0.1497","","","","","","1.144","","","","has coordinates","262644","2021-03-05","02:05:15",""
"7706459","6.3903","0.0002","7.8053","0.0002","9.9575","0.0002","79.811","0.002","75.385","0.002","76.143","0.002","463.01","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C5 H8 Cl2 N6 O -","- C5 H8 Cl2 N6 O -","- C10 H16 Cl4 N12 O2 -","2","1","","Tang, Yongxing; Li, Kejia; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Mono-N-oxidation of heterocycle-fused pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2143","2148","10.1039/d0dt03260c","","x-ray","1.54184","CuKα","","0.0431","0.04","","","0.1098","0.1123","","","","","","1.136","","","","has coordinates","262644","2021-03-05","02:05:15",""
"7706460","8.3157","0.0004","9.2267","0.0004","12.9583","0.0006","90","","95.961","0.004","90","","988.87","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl N7 O3 -","- C4 H10 Cl N7 O3 -","- C16 H40 Cl4 N28 O12 -","4","1","","Tang, Yongxing; Li, Kejia; Chinnam, Ajay Kumar; Staples, Richard J.; Shreeve, Jean'ne M.","Mono-N-oxidation of heterocycle-fused pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2143","2148","10.1039/d0dt03260c","","x-ray","1.54184","CuKα","","0.0448","0.0417","","","0.1129","0.1168","","","","","","1.08","","","","has coordinates","262644","2021-03-05","02:05:15",""
"7706461","20.7493","0.0004","9.4763","0.0002","20.3286","0.0004","90","","90","","90","","3997.14","0.14","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C36 H40 N6 Ni3 O10 S2 -","- C36 H40 N6 Ni3 O10 S2 -","- C144 H160 N24 Ni12 O40 S8 -","4","0.5","","Thakurta, Santarupa; Maiti, Monami; Butcher, Ray J.; Gómez-García, Carlos J; Tsaturyan, Arshak A.","A trinuclear nickel(II) Schiff base complex with phenoxido- and acetato-bridges: combined experimental and theoretical magneto-structural correlation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2200","2209","10.1039/d0dt03969a","","","0.71073","MoKα","","0.0745","0.0307","","","0.0618","0.0705","","","","","","0.93","","","","has coordinates","262633","2021-03-05","02:02:01",""
"7706462","9.8761","0.0018","10.9209","0.0019","12.138","0.002","67.727","0.005","66.395","0.005","70.17","0.005","1082.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","AS-358","","- C39 H47 N O10 P2 W2 -","- C39 H47 N O10 P2 W2 -","- C39 H47 N O10 P2 W2 -","1","0.5","","Schmer, Alexander; Bauza, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2131","2137","10.1039/d0dt04070c","","","0.71073","MoKα","","0.0561","0.042","","","0.0884","0.0949","","","","","","1.043","","","","has coordinates,has disorder","262646","2021-03-05","02:05:34",""
"7706463","10.9081","0.0005","12.008","0.0005","21.9058","0.001","78.88","0.004","82.328","0.004","72.568","0.003","2677.3","0.2","123","","123","2","","","","","","","","6","P -1","-P 1","2","","AS-457","","- C47 H67 N O11 P2 W2 -","- C47 H67 N O11 P2 W2 -","- C94 H134 N2 O22 P4 W4 -","2","1","","Schmer, Alexander; Bauza, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2131","2137","10.1039/d0dt04070c","","","0.71073","MoKα","","0.0265","0.0234","","","0.06","0.0613","","","","","","1.041","","","","has coordinates,has disorder","262646","2021-03-05","02:05:34",""
"7706464","12.8111","0.0006","20.0384","0.0006","22.5678","0.0007","100.106","0.003","98.87","0.004","99.627","0.003","5521.8","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","AS-418-2","","- C50 H69 Li O16 P2 W2 -","- C50 H69 Li O16 P2 W2 -","- C200 H276 Li4 O64 P8 W8 -","4","2","","Schmer, Alexander; Bauza, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2131","2137","10.1039/d0dt04070c","","","0.71073","MoKα","","0.1587","0.1337","","","0.2269","0.2383","","","","","","1.244","","","","has coordinates","262646","2021-03-05","02:05:34",""
"7706465","9.5701","0.0014","22.718","0.003","24.433","0.003","90","","90","","90","","5312.1","1.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","AS-401","","- C47 H64 N O11 P2 W2 -","- C47 H64 N O11 P2 W2 -","- C188 H256 N4 O44 P8 W8 -","4","1","","Schmer, Alexander; Bauza, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2131","2137","10.1039/d0dt04070c","","","0.71073","MoKα","","0.0867","0.0522","","","0.1002","0.1154","","","","","","1.041","","","","has coordinates","262646","2021-03-05","02:05:34",""
"7706466","12.2659","0.0002","12.3518","0.0002","18.4045","0.0002","80.443","0.001","81.138","0.001","89.995","0.001","2715.94","0.07","223","0.1","223","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 I4 N2 O2 Pb -","- C18 H28 I4 N2 O2 Pb -","- C72 H112 I16 N8 O8 Pb4 -","4","2","","Fan, Jia-Hui; Qin, Yan; Azeem, Muhammad; Zhang, Zhuo-Zhen; Li, Zhi-Gang; Sun, Na; Yao, Zhao-Quan; Li, Wei","Temperature-responsive emission and elastic properties of a new 2D lead halide perovskite.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2648","2653","10.1039/d0dt04165c","","x-ray","1.54184","CuKα","","0.0679","0.061","","","0.1746","0.1822","","","","","","1.039","","","","has coordinates","262649","2021-03-05","02:06:40",""
"7706467","7.9029","0.0009","12.1061","0.0014","15.5684","0.0018","88.456","0.004","80.664","0.004","74.856","0.004","1418.5","0.3","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 O2 Tl2 -","- C30 H46 O2 Tl2 -","- C60 H92 O4 Tl4 -","2","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0224","0.0176","","","0.0377","0.0393","","","","","","1.033","","","","has coordinates","262658","2021-03-05","02:09:03",""
"7706468","9.3633","0.0008","11.1104","0.0009","11.4477","0.0009","91.329","0.004","102.082","0.004","112.349","0.004","1070.07","0.16","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H36 O Ru -","- C25 H36 O Ru -","- C50 H72 O2 Ru2 -","2","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0309","0.0288","","","0.0623","0.0632","","","","","","1.146","","","","has coordinates","262658","2021-03-05","02:09:04",""
"7706469","8.1664","0.0004","10.4284","0.0005","14.7777","0.0007","106.093","0.002","98.321","0.002","93.777","0.002","1189","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H40 O Ru -","- C27 H40 O Ru -","- C54 H80 O2 Ru2 -","2","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0367","0.0303","","","0.0734","0.0762","","","","","","1.078","","","","has coordinates,has disorder","262658","2021-03-05","02:09:04",""
"7706470","10.0341","0.0011","23.577","0.003","13.72","0.0017","90","","106.953","0.004","90","","3104.7","0.7","110.15","","110.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 O3 Zn -","- C34 H54 O3 Zn -","- C136 H216 O12 Zn4 -","4","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.1088","0.0477","","","0.0843","0.1019","","","","","","1.001","","","","has coordinates","262658","2021-03-05","02:09:04",""
"7706471","10.4095","0.0005","14.989","0.0007","25.9262","0.0011","90","","96.89","0.002","90","","4016","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H70 Fe O4 -","- C42 H70 Fe O4 -","- C168 H280 Fe4 O16 -","4","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.107","0.0516","","","0.091","0.1063","","","","","","1.005","","","","has coordinates","262658","2021-03-05","02:09:04",""
"7706472","8.0763","0.0005","12.3094","0.0007","15.4883","0.0009","101.592","0.002","94.016","0.003","105.845","0.002","1438.24","0.15","100.1","","100.1","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 O2 Tl2 -","- C30 H46 O2 Tl2 -","- C60 H92 O4 Tl4 -","2","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0314","0.0262","","","0.0597","0.0621","","","","","","1.049","","","","has coordinates","262658","2021-03-05","02:09:04",""
"7706473","8.0476","0.0003","15.1435","0.0006","13.6841","0.0005","90","","98.924","0.001","90","","1647.48","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H54 O2 Tl2 -","- C34 H54 O2 Tl2 -","- C68 H108 O4 Tl4 -","2","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0312","0.0264","","","0.0503","0.0519","","","","","","1.033","","","","has coordinates","262658","2021-03-05","02:09:04",""
"7706474","11.9523","0.0013","21.215","0.003","15.9314","0.0018","90","","93.335","0.005","90","","4032.9","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 Li2 O4 -","- C42 H70 Li2 O4 -","- C168 H280 Li8 O16 -","4","1","","Grass, Amanda; Kulathungage, Lakshani Wathsala; Wannipurage, Duleeka; Yousif, Maryam; Ward, Cassandra L.; Groysman, Stanislav","Synthesis, characterization, and alkoxide transfer reactivity of dimeric Tl<sub>2</sub>(OR)<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2501","2509","10.1039/d0dt03917a","","","0.71073","MoKα","","0.0589","0.0422","","","0.1027","0.1126","","","","","","1.034","","","","has coordinates,has disorder","262658","2021-03-05","02:09:04",""
"7706475","6.6243","0.0008","15.4438","0.0017","16.5551","0.0017","91.772","0.006","101.017","0.006","100.69","0.006","1629.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Cl2 N12 O4 -","- C29 H36 Cl2 N12 O4 -","- C58 H72 Cl4 N24 O8 -","2","1","","Li, Hongdao; Jing, Pei; Lu, Jiao; Xi, Lu; Wang, Qi; Ding, Lifeng; Wang, Wen-Min; Song, Zhenjun","Multifunctional properties of {CuLn} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2854","2863","10.1039/d0dt04344c","","","0.71073","MoKα","","0.1355","0.0924","","","0.2031","0.228","","","","","","0.999","","","","has coordinates,has disorder","262599","2021-03-05","01:53:18",""
"7706476","12.116","0.002","15.903","0.003","16.525","0.003","66.76","0.03","82.8","0.03","76.92","0.03","2847.5","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H49 Cl3 Cu2 Dy2 F60 N12 O26 -","- C79 H49 Cl3 Cu2 Dy2 F60 N12 O26 -","- C79 H49 Cl3 Cu2 Dy2 F60 N12 O26 -","1","0.5","","Li, Hongdao; Jing, Pei; Lu, Jiao; Xi, Lu; Wang, Qi; Ding, Lifeng; Wang, Wen-Min; Song, Zhenjun","Multifunctional properties of {CuLn} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2854","2863","10.1039/d0dt04344c","","","","CuKα","","0.101","0.0938","","","0.2283","0.2322","","","","","","1.041","","","","has coordinates,has disorder","262599","2021-03-05","01:53:36",""
"7706477","12.1326","0.0008","15.9109","0.001","16.5448","0.001","66.63","0.003","82.789","0.003","76.887","0.003","2853.1","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H49 Cl3 Cu2 F60 N12 O26 Tb2 -","- C79 H49 Cl3 Cu2 F60 N12 O26 Tb2 -","- C79 H49 Cl3 Cu2 F60 N12 O26 Tb2 -","1","0.5","","Li, Hongdao; Jing, Pei; Lu, Jiao; Xi, Lu; Wang, Qi; Ding, Lifeng; Wang, Wen-Min; Song, Zhenjun","Multifunctional properties of {CuLn} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2854","2863","10.1039/d0dt04344c","","","1.54178","CuKα","","0.0783","0.0749","","","0.1831","0.1862","","","","","","0.966","","","","has coordinates","262599","2021-03-05","01:53:39",""
"7706478","12.1228","0.0005","15.9568","0.0006","16.5672","0.0007","66.545","0.002","82.724","0.002","76.877","0.003","2860.8","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H49 Cl3 Cu2 F60 Gd2 N12 O26 -","- C79 H49 Cl3 Cu2 F60 Gd2 N12 O26 -","- C79 H49 Cl3 Cu2 F60 Gd2 N12 O26 -","1","0.5","","Li, Hongdao; Jing, Pei; Lu, Jiao; Xi, Lu; Wang, Qi; Ding, Lifeng; Wang, Wen-Min; Song, Zhenjun","Multifunctional properties of {CuLn} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2854","2863","10.1039/d0dt04344c","","","1.54178","CuKα","","0.0858","0.08","","","0.196","0.2009","","","","","","0.873","","","","has coordinates,has disorder","262599","2021-03-05","01:53:48",""
"7706479","14.505","0.003","14.735","0.004","16.023","0.004","70.934","0.019","70.211","0.019","82.934","0.013","3045.3","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H39 Cl3 F6 N14 O10 Re2 -","- C59 H39 Cl3 F6 N14 O10 Re2 -","- C118 H78 Cl6 F12 N28 O20 Re4 -","2","1","","Mansour, Ahmed M.; Radacki, Krzysztof; Shehab, Ola R.","Role of the ancillary ligand in controlling the lysozyme affinity and electronic properties of terpyridine <i>fac</i>-Re(CO)<sub>3</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1197","1201","10.1039/d0dt04140h","","","0.71073","MoKα","","0.0258","0.021","","","0.0525","0.0547","","","","","","1.027","","","","has coordinates,has disorder","261659","2021-02-04","23:12:23",""
"7706480","18.3091","0.0005","20.116","0.0004","14.9144","0.0003","90","","93.73","0.002","90","","5481.4","0.2","119.9","0.2","119.9","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Fe N10 O4 -","- C28 H26 Fe N10 O4 -","- C224 H208 Fe8 N80 O32 -","8","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Vieira, Bruno J. C.; Waerenborgh, João C; Romero, Francisco M.","Temperature dependence of desolvation effects in hydrogen-bonded spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2536","2544","10.1039/d0dt03986a","","","0.71073","MoKα","","0.0747","0.0541","","","0.1015","0.1094","","","","","","1.117","","","","has coordinates,has disorder","262652","2021-03-05","02:07:37",""
"7706481","18.452","0.0002","20.1395","0.0003","15.0697","0.0002","90","","94.254","0.001","90","","5584.68","0.13","298","0.1","298","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Fe N10 O4 -","- C28 H26 Fe N10 O4 -","- C224 H208 Fe8 N80 O32 -","8","1","","Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Vieira, Bruno J. C.; Waerenborgh, João C; Romero, Francisco M.","Temperature dependence of desolvation effects in hydrogen-bonded spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2536","2544","10.1039/d0dt03986a","","","0.71073","MoKα","","0.065","0.0393","","","0.0888","0.1029","","","","","","1.039","","","","has coordinates,has disorder","262652","2021-03-05","02:07:38",""
"7706482","17.7587","0.0003","14.0514","0.0002","24.0434","0.0004","90","","98.607","0.002","90","","5932.09","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H76 Cl3 N3 Ni2 O23 Zn -","- C49 H76 Cl3 N3 Ni2 O23 Zn -","- C196 H304 Cl12 N12 Ni8 O92 Zn4 -","4","1","","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.; Bieńko, Alina; Ozarowski, Andrew","Ferro- <i>vs.</i> antiferromagnetic exchange between two Ni(II) ions in a series of Schiff base heterometallic complexes: what makes the difference?","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2841","2853","10.1039/d0dt03957h","","","1.54178","CuKα","","0.0734","0.0555","","","0.1508","0.1627","","","","","","1.127","","","","has coordinates","262603","2021-03-05","01:54:39",""
"7706483","8.9536","0.0004","9.8327","0.0004","13.4081","0.0005","99.742","0.003","104.655","0.004","113.637","0.004","996.24","0.09","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H48 Cl2 N6 Ni2 O12 Zn2 -","- C30 H48 Cl2 N6 Ni2 O12 Zn2 -","- C30 H48 Cl2 N6 Ni2 O12 Zn2 -","1","0.5","","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.; Bieńko, Alina; Ozarowski, Andrew","Ferro- <i>vs.</i> antiferromagnetic exchange between two Ni(II) ions in a series of Schiff base heterometallic complexes: what makes the difference?","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2841","2853","10.1039/d0dt03957h","","x-ray","0.71073","MoKα","","0.0592","0.0376","","","0.0845","0.0955","","","","","","1.024","","","","has coordinates","262603","2021-03-05","01:54:40",""
"7706484","19.6732","0.0005","10.9932","0.0002","20.6092","0.0003","90","","91.555","0.002","90","","4455.54","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Cl2 N4 Ni2 O10 Zn2 -","- C38 H46 Cl2 N4 Ni2 O10 Zn2 -","- C152 H184 Cl8 N16 Ni8 O40 Zn8 -","4","0.5","","Vassilyeva, Olga Yu; Buvaylo, Elena A.; Kokozay, Vladimir N.; Skelton, Brian W.; Sobolev, Alexandre N.; Bieńko, Alina; Ozarowski, Andrew","Ferro- <i>vs.</i> antiferromagnetic exchange between two Ni(II) ions in a series of Schiff base heterometallic complexes: what makes the difference?","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2841","2853","10.1039/d0dt03957h","","","1.54178","CuKα","","0.0463","0.0403","","","0.1127","0.1179","","","","","","1.002","","","","has coordinates","262603","2021-03-05","01:54:40",""
"7706485","32.738","0.002","32.738","0.002","7.492","0.0005","90","","90","","120","","6954","0.8","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H7 F5 N2 O2 -","- C17 H7 F5 N2 O2 -","- C306 H126 F90 N36 O36 -","18","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","x-ray","0.71073","MoKα","","0.0765","0.0458","","","0.0859","0.0963","","","","","","1.043","","","","has coordinates","262618","2021-03-05","01:58:20",""
"7706486","10.0585","0.0006","13.2365","0.0007","22.1369","0.0012","90","","90","","90","","2947.3","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F5 Li N4 -","- C29 H22 F5 Li N4 -","- C116 H88 F20 Li4 N16 -","4","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","","0.71073","MoKα","","0.0282","0.0257","","","0.0672","0.0688","","","","","","1.038","","","","has coordinates","262618","2021-03-05","01:58:30",""
"7706487","9.6171","0.0006","12.2102","0.0009","13.8745","0.001","108.864","0.006","98.831","0.006","90.523","0.005","1520.44","0.19","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 Br Cl2 F5 Fe N4 -","- C30 H24 Br Cl2 F5 Fe N4 -","- C60 H48 Br2 Cl4 F10 Fe2 N8 -","2","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","x-ray","0.71073","MoKα","","0.1248","0.0897","","","0.1593","0.1718","","","","","","1.184","","","","has coordinates","262618","2021-03-05","01:58:32",""
"7706488","9.8072","0.0002","11.5434","0.0003","12.0315","0.0002","86.721","0.002","86.179","0.002","84.625","0.002","1351.28","0.05","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H22 Br F5 N4 Zn -","- C29 H22 Br F5 N4 Zn -","- C58 H44 Br2 F10 N8 Zn2 -","2","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","x-ray","0.71073","MoKα","","0.0421","0.0344","","","0.0751","0.0783","","","","","","1.058","","","","has coordinates","262618","2021-03-05","01:58:32",""
"7706489","10.0603","0.0002","9.3452","0.0002","14.9643","0.0003","90","","103.994","0.001","90","","1365.12","0.05","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H26 F5 N5 -","- C31 H26 F5 N5 -","- C62 H52 F10 N10 -","2","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","","0.71073","MoKα","","0.0593","0.0408","","","0.0927","0.1031","","","","","","1.034","","","","has coordinates,has disorder","262618","2021-03-05","01:58:32",""
"7706490","9.3802","0.0003","12.9055","0.0004","21.1791","0.0005","96.261","0.002","92.718","0.002","102.594","0.003","2480.54","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","Re(Si[PhC(NtBu)2])(η5-Cp)(BDI)","","- C54 H81 N4 Re Si -","- C54 H81 N4 Re Si -","- C108 H162 N8 Re2 Si2 -","2","1","","Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John","σ or π? Bonding interactions in a series of rhenium metallotetrylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2083","2092","10.1039/d1dt00129a","","x-ray","0.71073","MoKα","","0.0398","0.0338","","","0.0784","0.0804","","","","","","1.023","","","","has coordinates,has disorder","262643","2021-03-05","02:05:07",""
"7706491","13.52","0.0007","25.1968","0.0012","14.1374","0.0007","90","","101.58","0.002","90","","4718","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(η5-Cp)(BDI)Re(μ-N2)Si[PhC(NtBu)2]","","- C49 H69 N6 Re Si -","- C49 H69 N6 Re Si -","- C196 H276 N24 Re4 Si4 -","4","1","","Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John","σ or π? Bonding interactions in a series of rhenium metallotetrylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2083","2092","10.1039/d1dt00129a","","","0.7288","synchrotron","","0.0743","0.0676","","","0.1424","0.1455","","","","","","1.15","","","","has coordinates","262643","2021-03-05","02:05:08",""
"7706492","9.3575","0.0002","13.0104","0.0003","20.9296","0.0004","94.783","0.002","92.965","0.002","100.914","0.002","2487.33","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","Re(Ge[PhC(NtBu)2])(η5-Cp)(BDI)","","- C49 H69 Ge N4 Re -","- C49 H69 Ge N4 Re -","- C98 H138 Ge2 N8 Re2 -","2","1","","Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John","σ or π? Bonding interactions in a series of rhenium metallotetrylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2083","2092","10.1039/d1dt00129a","","x-ray","0.71073","MoKα","","0.0402","0.0326","","","0.0749","0.0773","","","","","","0.99","","","","has coordinates","262643","2021-03-05","02:05:08",""
"7706493","22.1653","0.0008","10.231","0.0004","19.6887","0.0007","90","","96.153","0.001","90","","4439.1","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(BDI)Re(μ-η5:η1-C5H4)(SiH[PhC(NtBu)2])","","- C49 H69 N4 Re Si -","- C49 H69 N4 Re Si -","- C196 H276 N16 Re4 Si4 -","4","1","","Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John","σ or π? Bonding interactions in a series of rhenium metallotetrylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2083","2092","10.1039/d1dt00129a","","","0.7288","synchrotron","","0.0227","0.0193","","","0.0409","0.0422","","","","","","1.065","","","","has coordinates","262643","2021-03-05","02:05:08",""
"7706494","11.8518","0.0005","19.556","0.0009","23.6281","0.0011","65.925","0.002","78.503","0.002","88.7","0.002","4889.1","0.4","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","Re(Sn[PhC(NtBu)2])(η5-Cp)(BDI)","","- C211 H312 N16 Re4 Sn4 -","- C211 H312 N16 Re4 Sn4 -","- C211 H312 N16 Re4 Sn4 -","1","0.5","","Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John","σ or π? Bonding interactions in a series of rhenium metallotetrylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2083","2092","10.1039/d1dt00129a","","","0.7288","synchrotron","","0.0517","0.0446","","","0.1147","0.1209","","","","","","0.993","","","","has coordinates,has disorder","262643","2021-03-05","02:05:08",""
"7706495","12.4047","0.0005","16.4384","0.0007","17.3177","0.0008","103.05","0.002","102.812","0.002","96.44","0.002","3305.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ge[Re(η5-Cp)(BDI)]2","","- C73 H104 Ge N4 Re2 -","- C73 H104 Ge N4 Re2 -","- C146 H208 Ge2 N8 Re4 -","2","1","","Ouellette, Erik T.; Carpentier, Ambre; Joseph Brackbill, I.; Lohrey, Trevor D.; Douair, Iskander; Maron, Laurent; Bergman, Robert G.; Arnold, John","σ or π? Bonding interactions in a series of rhenium metallotetrylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2083","2092","10.1039/d1dt00129a","","","0.7288","synchrotron","","0.0348","0.0263","","","0.0522","0.0563","","","","","","1.042","","","","has coordinates","262643","2021-03-05","02:05:08",""
"7706496","9.7774","0.0005","9.219","0.0005","30.2215","0.0016","90","","91.884","0.002","90","","2722.6","0.2","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 P2 Pt -","- C27 H40 P2 Pt -","- C108 H160 P8 Pt4 -","4","1","","Al-Busaidi, Idris Juma; Haque, Ashanul; Husband, John; Al Rasbi, Nawal K.; Abou-Zied, Osama K; Al Balushi, Rayya; Khan, Muhammad S.; Raithby, Paul R.","Electronic and steric effects of platinum(ii) di-yne and poly-yne substituents on the photo-switching behaviour of stilbene: experimental and theoretical insights.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2555","2569","10.1039/d0dt03502e","","","0.71073","MoKα","","0.0569","0.0513","","","0.0999","0.1018","","","","","","1.372","","","","has coordinates,has disorder","262657","2021-03-05","02:08:41",""
"7706497","19.2933","0.0012","29.3326","0.0018","7.5241","0.0005","90","","94.005","0.002","90","","4247.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Wang, Le; Sun, Haochen; Sun, Chun; Xu, Da; Tao, Jiaqi; Wei, Tong; Zhang, Zi-Hui; Zhang, Yonghui; Wang, Ziying; Bi, Wengang","Lead-free, stable orange-red-emitting hybrid copper based organic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2766","2773","10.1039/d0dt04413j","","","0.71073","MoKα","","0.1731","0.0825","","","0.1811","0.213","","","","","","1.071","","","","has coordinates","262604","2021-03-05","01:54:54",""
"7706498","10.3866","0.0009","10.3829","0.0009","38.197","0.004","90","","97.055","0.007","90","","4088.1","0.7","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Wang, Le; Sun, Haochen; Sun, Chun; Xu, Da; Tao, Jiaqi; Wei, Tong; Zhang, Zi-Hui; Zhang, Yonghui; Wang, Ziying; Bi, Wengang","Lead-free, stable orange-red-emitting hybrid copper based organic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2766","2773","10.1039/d0dt04413j","","","1.34139","GaKα","","0.1326","0.1146","","","0.3028","0.3218","","","","","","1.066","","","","has coordinates","262604","2021-03-05","01:54:54",""
"7706499","11.91971","0.00007","11.91971","0.00007","7.52994","0.00006","90","","90","","120","","926.517","0.011","4","","4","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- As2 Fe32.147 Ge33 -","- As2 Fe32.148 Ge33 -","- As2 Fe32.148 Ge33 -","1","0.0416667","","Khalaniya, R. A.; Sobolev, A. V.; Verchenko, V. Yu; Tsirlin, A. A.; Senyshyn, A.; Damay, F.; Presniakov, I. A.; Shevelkov, A. V.","Magnetic structures of Fe<sub>32+δ</sub>Ge<sub>33</sub>As<sub>2</sub> and Fe<sub>32+δ'</sub>Ge<sub>35-x</sub>P<sub>x</sub> intermetallic compounds: a neutron diffraction and <sup>57</sup>Fe Mössbauer spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2210","2220","10.1039/d0dt03923c","powder diffraction","neutron","1.5482","neutron","","0.0139","0.0138","","0.0201","0.0201","","","","2.39","","","","","","","has coordinates","262642","2021-03-05","02:04:52",""
"7706500","11.94294","0.00005","11.94294","0.00005","7.57546","0.00005","90","","90","","120","","935.755","0.008","300","","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- As2 Fe32.153 Ge33 -","- As2 Fe32.153 Ge33 -","- As2 Fe32.153 Ge33 -","1","0.0416667","","Khalaniya, R. A.; Sobolev, A. V.; Verchenko, V. Yu; Tsirlin, A. A.; Senyshyn, A.; Damay, F.; Presniakov, I. A.; Shevelkov, A. V.","Magnetic structures of Fe<sub>32+δ</sub>Ge<sub>33</sub>As<sub>2</sub> and Fe<sub>32+δ'</sub>Ge<sub>35-x</sub>P<sub>x</sub> intermetallic compounds: a neutron diffraction and <sup>57</sup>Fe Mössbauer spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2210","2220","10.1039/d0dt03923c","powder diffraction","neutron","1.5482","neutron","","0.0142","0.0138","","0.0189","0.0188","","","","1.98","","","","","","","has coordinates","262642","2021-03-05","02:04:53",""
"7706501","11.88035","0.00009","11.88035","0.00009","7.4875","0.00008","90","","90","","120","","915.221","0.014","4","","4","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Fe32.417 Ge32.513 P2.487 -","- Fe32.42 Ge32.54 P2.46 -","- Fe32.42 Ge32.54 P2.46 -","1","0.0416667","","Khalaniya, R. A.; Sobolev, A. V.; Verchenko, V. Yu; Tsirlin, A. A.; Senyshyn, A.; Damay, F.; Presniakov, I. A.; Shevelkov, A. V.","Magnetic structures of Fe<sub>32+δ</sub>Ge<sub>33</sub>As<sub>2</sub> and Fe<sub>32+δ'</sub>Ge<sub>35-x</sub>P<sub>x</sub> intermetallic compounds: a neutron diffraction and <sup>57</sup>Fe Mössbauer spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2210","2220","10.1039/d0dt03923c","powder diffraction","neutron","1.5482","neutron","","0.0201","0.0199","","0.0273","0.0273","","","","2.74","","","","","","","has coordinates","262642","2021-03-05","02:04:53",""
"7706502","11.90625","0.00008","11.90625","0.00008","7.53123","0.00008","90","","90","","120","","924.584","0.013","300","","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Fe32.475 Ge32.271 P2.729 -","- Fe32.48 Ge32.3 P2.7 -","- Fe32.48 Ge32.3 P2.7 -","1","0.0416667","","Khalaniya, R. A.; Sobolev, A. V.; Verchenko, V. Yu; Tsirlin, A. A.; Senyshyn, A.; Damay, F.; Presniakov, I. A.; Shevelkov, A. V.","Magnetic structures of Fe<sub>32+δ</sub>Ge<sub>33</sub>As<sub>2</sub> and Fe<sub>32+δ'</sub>Ge<sub>35-x</sub>P<sub>x</sub> intermetallic compounds: a neutron diffraction and <sup>57</sup>Fe Mössbauer spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2210","2220","10.1039/d0dt03923c","powder diffraction","neutron","1.5482","neutron","","0.0287","0.027","","0.0319","0.0319","","","","2.72","","","","","","","has coordinates","262642","2021-03-05","02:04:53",""
"7706503","11.9233","0.00006","11.9233","0.00006","7.54727","0.00006","90","","90","","120","","929.209","0.01","150","","150","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- As2 Fe32.13 Ge33 -","- As2 Fe32.13 Ge33 -","- As2 Fe32.13 Ge33 -","1","0.0416667","","Khalaniya, R. A.; Sobolev, A. V.; Verchenko, V. Yu; Tsirlin, A. A.; Senyshyn, A.; Damay, F.; Presniakov, I. A.; Shevelkov, A. V.","Magnetic structures of Fe<sub>32+δ</sub>Ge<sub>33</sub>As<sub>2</sub> and Fe<sub>32+δ'</sub>Ge<sub>35-x</sub>P<sub>x</sub> intermetallic compounds: a neutron diffraction and <sup>57</sup>Fe Mössbauer spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2210","2220","10.1039/d0dt03923c","powder diffraction","neutron","1.5482","neutron","","0.0142","0.014","","0.0202","0.0201","","","","2.26","","","","","","","has coordinates","262642","2021-03-05","02:04:53",""
"7706504","11.88568","0.00008","11.88568","0.00008","7.5031","0.00008","90","","90","","120","","917.951","0.013","150","","150","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Fe32.447 Ge32.489 P2.511 -","- Fe32.45 Ge32.48 P2.52 -","- Fe32.45 Ge32.48 P2.52 -","1","0.0416667","","Khalaniya, R. A.; Sobolev, A. V.; Verchenko, V. Yu; Tsirlin, A. A.; Senyshyn, A.; Damay, F.; Presniakov, I. A.; Shevelkov, A. V.","Magnetic structures of Fe<sub>32+δ</sub>Ge<sub>33</sub>As<sub>2</sub> and Fe<sub>32+δ'</sub>Ge<sub>35-x</sub>P<sub>x</sub> intermetallic compounds: a neutron diffraction and <sup>57</sup>Fe Mössbauer spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2210","2220","10.1039/d0dt03923c","powder diffraction","neutron","1.5482","neutron","","0.0223","0.0222","","0.0278","0.0278","","","","2.66","","","","","","","has coordinates","262642","2021-03-05","02:04:53",""
"7706505","13.1052","0.0007","15.7954","0.0008","23.8328","0.0014","90","","100.616","0.003","90","","4849","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Co4 Cs10 H28 Na3 O99 Si2 W20 -","- Co4 Cs10 Na3 O99 Si2 W20 -","- Co8 Cs20 Na6 O198 Si4 W40 -","2","0.5","","Haider, Ali; Bassil, Bassem S.; Lin, Zhengguo; Ma, Xiang; Haferl, Peter J.; Bindra, Jasleen K.; Kinyon, Jared; Zhang, Guangjin; Keita, Bineta; Dalal, Naresh S.; Kortz, Ulrich","Synthesis, structure, electrochemistry and magnetism of cobalt-, nickel- and zinc-containing [M<sub>4</sub>(OH)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>(α-SiW<sub>10</sub>O<sub>36.5</sub>)<sub>2</sub>]<sup>13-</sup> (M = Co<sup>2+</sup>, Ni<sup>2+</sup>, and Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3923","3930","10.1039/d0dt03392h","","","0.71073","MoKα","","0.0611","0.0433","","","0.1106","0.1213","","","","","","1.003","","","","has coordinates,has disorder","263773","2021-04-05","14:53:20",""
"7706506","13.0666","0.0005","15.6924","0.0006","23.7612","0.0009","90","","100.454","0.003","90","","4791.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Cs10 H29 Na2 Ni4 O98 Si2 W20 -","- Cs10 Na2 Ni4 O98 Si2 W20 -","- Cs20 Na4 Ni8 O196 Si4 W40 -","2","0.5","","Haider, Ali; Bassil, Bassem S.; Lin, Zhengguo; Ma, Xiang; Haferl, Peter J.; Bindra, Jasleen K.; Kinyon, Jared; Zhang, Guangjin; Keita, Bineta; Dalal, Naresh S.; Kortz, Ulrich","Synthesis, structure, electrochemistry and magnetism of cobalt-, nickel- and zinc-containing [M<sub>4</sub>(OH)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>(α-SiW<sub>10</sub>O<sub>36.5</sub>)<sub>2</sub>]<sup>13-</sup> (M = Co<sup>2+</sup>, Ni<sup>2+</sup>, and Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3923","3930","10.1039/d0dt03392h","","","0.71073","MoKα","","0.0903","0.0531","","","0.1266","0.1438","","","","","","1.007","","","","has coordinates,has disorder","263773","2021-04-05","14:53:23",""
"7706507","13.131","0.002","15.755","0.003","24.894","0.005","90","","110.408","0.01","90","","4826.8","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Cs10 H29 Na3 O98 Si2 W20 Zn4 -","- Cs10 Na3 O98 Si2 W20 Zn4 -","- Cs20 Na6 O196 Si4 W40 Zn8 -","2","0.5","","Haider, Ali; Bassil, Bassem S.; Lin, Zhengguo; Ma, Xiang; Haferl, Peter J.; Bindra, Jasleen K.; Kinyon, Jared; Zhang, Guangjin; Keita, Bineta; Dalal, Naresh S.; Kortz, Ulrich","Synthesis, structure, electrochemistry and magnetism of cobalt-, nickel- and zinc-containing [M<sub>4</sub>(OH)<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>(α-SiW<sub>10</sub>O<sub>36.5</sub>)<sub>2</sub>]<sup>13-</sup> (M = Co<sup>2+</sup>, Ni<sup>2+</sup>, and Zn<sup>2+</sup>).","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3923","3930","10.1039/d0dt03392h","","","0.71073","MoKα","","0.0602","0.0383","","","0.0806","0.0889","","","","","","1.003","","","","has coordinates,has disorder","263773","2021-04-05","14:53:32",""
"7706508","18.487","0.0001","19.4071","0.0002","19.6357","0.0002","71.688","0.001","79.91","0.001","74.264","0.001","6406.17","0.11","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C96 H198 Mn Mo6 N13 O34 -","- C96 H198 Mn Mo6 N13 O34 -","- C192 H396 Mn2 Mo12 N26 O68 -","2","1","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","x-ray","0.71073","MoKα","","0.0489","0.0346","","","0.0879","0.095","","","","","","1.025","","","","has coordinates","262648","2021-03-05","02:06:32",""
"7706509","31.449","0.006","15.681","0.003","24.45","0.005","90","","97.16","0.03","90","","11964","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H140 Al Mo6 N5 O36 -","- C58 H104 Al Mo6 N4 O36 -","- C232 H416 Al4 Mo24 N16 O144 -","4","0.5","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","","0.71073","MoKα","","0.1284","0.0687","","","0.1481","0.1803","","","","","","1.06","","","","has coordinates","262648","2021-03-05","02:06:32",""
"7706510","18.3321","0.0002","20.0174","0.0004","34.4565","0.0006","90","","93.5","0.001","90","","12620.6","0.4","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H166 Mn Mo6 N9 O30 -","- C68.9 H136.3 Mn Mo6 N8.6 O30 -","- C275.6 H545.2 Mn4 Mo24 N34.4 O120 -","4","1","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","x-ray","0.71073","MoKα","","0.1481","0.1016","","","0.2637","0.3173","","","","","","1.107","","","","has coordinates","262648","2021-03-05","02:06:32",""
"7706511","24.0446","0.0002","14.3151","0.0001","28.3267","0.0002","90","","98.325","0.001","90","","9647.33","0.13","150","0.1","150","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C74 H146 Al Mo6 N7 O32 -","- C72.2 H140.294 Al Mo6 N6.1 O32 -","- C288.8 H561.176 Al4 Mo24 N24.4 O128 -","4","0.5","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","x-ray","0.71073","MoKα","","0.0371","0.0304","","","0.081","0.0852","","","","","","1.036","","","","has coordinates,has disorder","262648","2021-03-05","02:06:32",""
"7706512","33.7469","0.0011","12.8751","0.0004","28.995","0.0007","90","","105.212","0.003","90","","12156.8","0.6","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H175 Al Mo6 N8 O33 -","- C69.5 H127 Al Mo6 N6.5 O32.5 -","- C278 H508 Al4 Mo24 N26 O130 -","4","1","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","x-ray","0.71073","MoKα","","0.1231","0.0899","","","0.2238","0.2555","","","","","","1.087","","","","has coordinates","262648","2021-03-05","02:06:32",""
"7706513","15.4262","0.0002","54.1958","0.0007","23.3363","0.0003","90","","90.019","0.001","90","","19510","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H133 Al Mo6 N4 O27 -","- C42.75 H86.25 Al Mo6 N3 O26.5 -","- C342 H690 Al8 Mo48 N24 O212 -","8","2","","Lin, Chang-Gen; Hutin, Marie; Busche, Christoph; Bell, Nicola L.; Long, De-Liang; Cronin, Leroy","Elucidating the paramagnetic interactions of an inorganic-organic hybrid radical-functionalized Mn-Anderson cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2350","2353","10.1039/d0dt04149a","","x-ray","0.71073","MoKα","","0.1044","0.0786","","","0.2001","0.22","","","","","","1.016","","","","has coordinates","262648","2021-03-05","02:06:32",""
"7706514","24.0054","0.0003","12.4116","0.0002","22.5277","0.0005","90","","90","","90","","6712","0.2","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","poly-[tris(1,10-phenanthrolin-1-ium 1,10-phenanthroline) heptaiodide]","poly-[tris(1,10-phenanthrolin-1-ium 1,10-phenanthroline) heptaiodide]","","- C72 H51 I7 N12 -","- C72 H51 I7 N12 -","- C288 H204 I28 N48 -","4","1","","Poręba, Tomasz; Swiątkowski, Marcin; Kruszyński, Rafał","Molecular self-assembly of 1D infinite polyiodide helices in a phenanthrolinium salt.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2800","2806","10.1039/d0dt04042h","","x-ray","1.54184","CuKα","","0.0619","0.0574","","","0.1366","0.1391","","","","","","1.167","","","","has coordinates","262594","2021-03-05","01:50:55",""
"7706515","11.0438","0.0009","32.17","0.003","11.5494","0.0009","90","","106.855","0.002","90","","3927","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H51 B27 Co3 Na O7 S -","- C15 H51 B27 Co3 Na O7 S -","- C60 H204 B108 Co12 Na4 O28 S4 -","4","1","","Stogniy, Marina Yu; Anufriev, Sergey A.; Shmal'ko, Akim V.; Antropov, Sergey M.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu; Filippov, Oleg A.; Sivaev, Igor B.","The unexpected reactivity of 9-iodo-nido-carborane: from nucleophilic substitution reactions to the synthesis of tricobalt tris(dicarbollide) Na[4,4',4''-(MeOCH<sub>2</sub>CH<sub>2</sub>O)<sub>3</sub>-3,3',3''-Co<sub>3</sub>(μ<sup>3</sup>-O)(μ<sup>3</sup>-S)(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2671","2688","10.1039/d0dt03857a","","","0.71073","MoKα","","0.0637","0.0453","","","0.1038","0.1137","","","","","","1.052","","","","has coordinates","262654","2021-03-05","02:08:01",""
"7706516","8.7703","0.0006","10.6041","0.0006","12.3092","0.0007","71.445","0.001","85.935","0.001","73.426","0.001","1039.92","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H20 B18 Co Cs I2 -","- C4 H20 B18 Co Cs I2 -","- C8 H40 B36 Co2 Cs2 I4 -","2","1","","Stogniy, Marina Yu; Anufriev, Sergey A.; Shmal'ko, Akim V.; Antropov, Sergey M.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu; Filippov, Oleg A.; Sivaev, Igor B.","The unexpected reactivity of 9-iodo-nido-carborane: from nucleophilic substitution reactions to the synthesis of tricobalt tris(dicarbollide) Na[4,4',4''-(MeOCH<sub>2</sub>CH<sub>2</sub>O)<sub>3</sub>-3,3',3''-Co<sub>3</sub>(μ<sup>3</sup>-O)(μ<sup>3</sup>-S)(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2671","2688","10.1039/d0dt03857a","","","0.71073","MoKα","","0.0153","0.0141","","","0.0319","0.0323","","","","","","1.129","","","","has coordinates,has disorder","262654","2021-03-05","02:08:01",""
"7706517","10.3335","0.0002","35.5869","0.0007","9.6373","0.0002","90","","115.342","0.001","90","","3202.95","0.11","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H42 B18 Cl2 Co K O5 -","- C14 H42 B18 Cl2 Co K O5 -","- C56 H168 B72 Cl8 Co4 K4 O20 -","4","1","","Stogniy, Marina Yu; Anufriev, Sergey A.; Shmal'ko, Akim V.; Antropov, Sergey M.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu; Filippov, Oleg A.; Sivaev, Igor B.","The unexpected reactivity of 9-iodo-nido-carborane: from nucleophilic substitution reactions to the synthesis of tricobalt tris(dicarbollide) Na[4,4',4''-(MeOCH<sub>2</sub>CH<sub>2</sub>O)<sub>3</sub>-3,3',3''-Co<sub>3</sub>(μ<sup>3</sup>-O)(μ<sup>3</sup>-S)(1,2-C<sub>2</sub>B<sub>9</sub>H<sub>10</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2671","2688","10.1039/d0dt03857a","","","0.71073","MoKα","","0.0651","0.0493","","","0.1159","0.1251","","","","","","1.085","","","","has coordinates","262654","2021-03-05","02:08:01",""
"7706518","11.6769","0.0003","8.6815","0.0002","20.2009","0.0005","90","","98.116","0.001","90","","2027.32","0.09","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 Cl4 O2 P S2 -","- C20 H9 Cl4 O2 P S2 -","- C80 H36 Cl16 O8 P4 S8 -","4","1","","Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas","Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2243","2252","10.1039/d1dt00062d","","","0.71073","MoKα","","0.0626","0.0458","","","0.081","0.0928","","","","","","1.056","","","","has coordinates","262636","2021-03-05","02:03:08",""
"7706519","10.6116","0.0004","18.4445","0.0007","11.5631","0.0004","90","","111.362","0.001","90","","2107.71","0.14","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H4 Cl4 F5 O2 P S2 -","- C20 H4 Cl4 F5 O2 P S2 -","- C80 H16 Cl16 F20 O8 P4 S8 -","4","1","","Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas","Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2243","2252","10.1039/d1dt00062d","","","0.71073","MoKα","","0.0813","0.0635","","","0.1656","0.1918","","","","","","1.1","","","","has coordinates","262636","2021-03-05","02:03:09",""
"7706520","7.4476","0.0007","12.5959","0.0013","13.2064","0.0013","116.199","0.003","104.509","0.003","91.081","0.003","1064.13","0.19","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Cl4 O3 P S2 -","- C20 H11 Cl4 O3 P S2 -","- C40 H22 Cl8 O6 P2 S4 -","2","1","","Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas","Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2243","2252","10.1039/d1dt00062d","","","0.71075","MoKα","","0.037","0.0306","","","0.0772","0.0831","","","","","","1.034","","","","has coordinates","262636","2021-03-05","02:03:09",""
"7706521","11.358","0.002","14.516","0.002","16.549","0.003","108.018","0.005","106.995","0.006","93.965","0.006","2442.9","0.7","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H25 Cl3 F10 O4 P2 S4 -","- C57 H25 Cl3 F10 O4 P2 S4 -","- C114 H50 Cl6 F20 O8 P4 S8 -","2","1","","Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas","Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2243","2252","10.1039/d1dt00062d","","","0.71073","MoKα","","0.0921","0.0539","","","0.1296","0.176","","","","","","1.082","","","","has coordinates","262636","2021-03-05","02:03:09",""
"7706522","8.486","0.003","9.239","0.003","16.573","0.006","91.523","0.014","95.534","0.011","106.919","0.011","1235.3","0.7","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H17 O2 P S2 -","- C28 H17 O2 P S2 -","- C56 H34 O4 P2 S4 -","2","1","","Asok, Nayanthara; Gaffen, Joshua R.; Pradhan, Ekadashi; Zeng, Tao; Baumgartner, Thomas","Structure-reactivity studies on hypervalent square-pyramidal dithieno[3,2-b:2',3'-d]phospholes.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2243","2252","10.1039/d1dt00062d","","","0.71073","MoKα","","0.0584","0.0549","","","0.1531","0.1591","","","","","","1.053","","","","has coordinates","262636","2021-03-05","02:03:09",""
"7706523","14.12","0.003","9.8648","0.0014","14.128","0.002","90","","101.097","0.014","90","","1931.1","0.6","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Copper","","- C22 H18 Cu N2 O5 -","- C22 H18 Cu N2 O5 -","- C88 H72 Cu4 N8 O20 -","4","1","","Usman, Mohammad; Khan, Rais Ahmad; Khan, Mohammad Rashid; Abul Farah, Mohammad; BinSharfan, Ibtisam I.; Alharbi, Walaa; Shaik, Jilani P.; Parine, Narasimha Reddy; Alsalme, Ali; Tabassum, Sartaj","A novel biocompatible formate bridged 1D-Cu(ii) coordination polymer induces apoptosis selectively in human lung adenocarcinoma (A549) cells.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2253","2267","10.1039/d0dt03782f","","x-ray","0.71073","MoKα","","0.1422","0.0654","","","0.0781","0.1046","","","","","","0.984","","","","has coordinates","262639","2021-03-05","02:03:49",""
"7706524","18.5578","0.0003","19.4887","0.0003","19.6039","0.0003","90","","100.312","0.0018","90","","6975.58","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C69 H77 B F24 Ir N P2 -","- C69 H77 B F24 Ir N P2 -","- C276 H308 B4 F96 Ir4 N4 P8 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2472","2482","10.1039/d0dt04303f","","x-ray","0.71073","MoKα","","0.0375","0.0284","","","0.0625","0.067","","","","","","1.065","","","","has coordinates,has disorder","262650","2021-03-05","02:07:07",""
"7706525","13.6582","0.0002","13.3891","0.0002","39.2775","0.001","90","","95.272","0.002","90","","7152.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H73 B F24 Ir N P2 -","- C73 H73 B F24 Ir N P2 -","- C292 H292 B4 F96 Ir4 N4 P8 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2472","2482","10.1039/d0dt04303f","","x-ray","1.54184","CuKα","","0.0756","0.0545","","","0.1087","0.1165","","","","","","1.103","","","","has coordinates,has disorder","262650","2021-03-05","02:07:10",""
"7706526","14.33551","0.00013","17.06824","0.00016","17.35886","0.00015","72.062","0.0008","88.7669","0.0007","88.601","0.0008","4039.29","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C79 H95 B F24 Ir N P2 -","- C79 H95 B F24 Ir N P2 -","- C158 H190 B2 F48 Ir2 N2 P4 -","2","1","","Hood, Thomas M.; Chaplin, Adrian B.","Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2472","2482","10.1039/d0dt04303f","","x-ray","1.54184","CuKα","","0.0231","0.022","","","0.0538","0.0542","","","","","","1.055","","","","has coordinates,has disorder","262650","2021-03-05","02:07:11",""
"7706527","25.6746","0.0003","14.06969","0.00019","40.5239","0.0005","90","","108.273","0.0013","90","","13900.4","0.3","150","2","150","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H75 B F24 N P2 Rh -","- C68 H75 B F24 N P2 Rh -","- C544 H600 B8 F192 N8 P16 Rh8 -","8","1","","Hood, Thomas M.; Chaplin, Adrian B.","Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2472","2482","10.1039/d0dt04303f","","x-ray","1.54184","CuKα","","0.0506","0.0459","","","0.1152","0.12","","","","","","1.006","","","","has coordinates,has disorder","262650","2021-03-05","02:07:11",""
"7706528","13.5966","0.0003","20.6443","0.0006","25.5399","0.0007","90","","90.977","0.002","90","","7167.8","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H65 B F25 Ir N P2 -","- C64 H65 B F25 Ir N P2 -","- C256 H260 B4 F100 Ir4 N4 P8 -","4","1","","Hood, Thomas M.; Chaplin, Adrian B.","Synthesis and reactivity of iridium complexes of a macrocyclic PNP pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2472","2482","10.1039/d0dt04303f","","x-ray","0.71073","MoKα","","0.0616","0.0398","","","0.0778","0.0869","","","","","","1.027","","","","has coordinates,has disorder","262650","2021-03-05","02:07:11",""
"7706529","18.1598","0.0014","24.203","0.002","13.945","0.0011","90","","97.387","0.003","90","","6078.3","0.8","100.02","","100.02","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H26 Cu N5 O4 -","- C30 H25.75 Cu N5 O4 -","- C240 H206 Cu8 N40 O32 -","8","1","","Lancheros, Andrés; Goswami, Subhadip; Mian, Mohammad Rasel; Zhang, Xuan; Zarate, Ximena; Schott, Eduardo; Farha, Omar K.; Hupp, Joseph T.","Modulation of CO<sub>2</sub> adsorption in novel pillar-layered MOFs based on carboxylate-pyrazole flexible linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2880","2890","10.1039/d0dt03166f","","","0.71073","MoKα","","0.0842","0.0555","","","0.1492","0.1641","","","","","","1.036","","","","has coordinates,has disorder","262595","2021-03-05","01:52:01",""
"7706530","9.3159","0.0002","26.0056","0.0004","13.1078","0.0002","90","","101.233","0.002","90","","3114.73","0.1","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H36 Cu N6 O4 -","- C31 H36 Cu N6 O4 -","- C124 H144 Cu4 N24 O16 -","4","1","","Lancheros, Andrés; Goswami, Subhadip; Mian, Mohammad Rasel; Zhang, Xuan; Zarate, Ximena; Schott, Eduardo; Farha, Omar K.; Hupp, Joseph T.","Modulation of CO<sub>2</sub> adsorption in novel pillar-layered MOFs based on carboxylate-pyrazole flexible linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2880","2890","10.1039/d0dt03166f","","x-ray","1.54184","CuKα","","0.0614","0.0521","","","0.1301","0.1376","","","","","","1.084","","","","has coordinates","262595","2021-03-05","01:52:01",""
"7706531","18.3045","0.0004","24.0896","0.0006","14.0301","0.0003","90","","97.598","0.002","90","","6132.2","0.2","99.98","0.18","99.98","0.18","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C36 H44 N7 O7 Zn -","- C30 H28 N5 O4 Zn -","- C240 H224 N40 O32 Zn8 -","8","1","","Lancheros, Andrés; Goswami, Subhadip; Mian, Mohammad Rasel; Zhang, Xuan; Zarate, Ximena; Schott, Eduardo; Farha, Omar K.; Hupp, Joseph T.","Modulation of CO<sub>2</sub> adsorption in novel pillar-layered MOFs based on carboxylate-pyrazole flexible linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2880","2890","10.1039/d0dt03166f","","x-ray","0.71073","MoKα","","0.0619","0.0466","","","0.1267","0.1352","","","","","","1.012","","","","has coordinates","262595","2021-03-05","01:52:01",""
"7706532","9.2921","0.0002","14.6419","0.0004","14.6728","0.0003","90","","99.445","0.002","90","","1969.23","0.08","90","","90","","","","","","","","","5","P 1 21 1","P 2yb","4","2,7?-dibromo-9-bis(cyclopentadienyl)titanafluorene","2,7?-dibromo-9-bis(cyclopentadienyl)titanafluorene","","- C45 H34 Br4 Cl2 Ti2 -","- C45 H34 Br4 Cl2 Ti2 -","- C90 H68 Br8 Cl4 Ti4 -","2","1","","Tanudjaja, Alvin; Inagi, Shinsuke; Kitamura, Fusao; Takata, Toshikazu; Tomita, Ikuyoshi","An air-stable organometallic polymer containing titanafluorene moieties obtained by the Sonogashira-Hagihara cross-coupling polycondensation.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","3037","3043","10.1039/d0dt03663c","","","1.54184","CuKα","","0.0287","0.0283","","","0.0734","0.0737","","","","","","1.059","","","","has coordinates","262601","2021-03-05","01:54:09",""
"7706533","9.9715","0.0004","11.0618","0.0004","12.8149","0.0004","92.082","0.003","98.606","0.003","108.609","0.003","1319.19","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 Cl N2 O3 P Ru -","- C30 H20 Cl N2 O3 P Ru -","- C60 H40 Cl2 N4 O6 P2 Ru2 -","2","1","","Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev","Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3269","3279","10.1039/d0dt04401f","","","0.71073","MoKα","","0.0265","0.0237","","","0.0539","0.0553","","","","","","1.074","","","","has coordinates","263757","2021-04-05","14:48:39",""
"7706534","18.3088","0.0008","8.4872","0.0004","32.8245","0.0016","90","","101.52","0.004","90","","4997.9","0.4","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C26 H22 Cl N2 O3 P Ru -","- C26 H22 Cl N2 O3 P Ru -","- C208 H176 Cl8 N16 O24 P8 Ru8 -","8","1","","Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev","Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3269","3279","10.1039/d0dt04401f","","","0.71073","MoKα","","0.0466","0.0364","","","0.0813","0.0859","","","","","","1.023","","","","has coordinates","263757","2021-04-05","14:48:39",""
"7706535","8.6093","0.0012","19.52","0.002","16.0093","0.0018","90","","101.983","0.012","90","","2631.8","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Cl N2 O3 P Ru -","- C30 H20 Cl N2 O3 P Ru -","- C120 H80 Cl4 N8 O12 P4 Ru4 -","4","1","","Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev","Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3269","3279","10.1039/d0dt04401f","","","0.71073","MoKα","","0.184","0.1008","","","0.2211","0.3019","","","","","","0.975","","","","has coordinates","263757","2021-04-05","14:48:39",""
"7706536","13.4299","0.0011","11.7318","0.0009","23.8209","0.0019","90","","90","","90","","3753.1","0.5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H56 Ge2 Si6 Te4 -","- C20 H56 Ge2 Si6 Te4 -","- C80 H224 Ge8 Si24 Te16 -","4","0.5","","Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas","LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2663","2670","10.1039/d0dt04280c","","x-ray","0.71073","MoKα","","0.0608","0.0492","","","0.1257","0.1342","","","","","","1.049","","","","has coordinates,has disorder","262659","2021-03-05","02:09:22",""
"7706537","17.9129","0.0014","20.5298","0.0017","13.922","0.0011","90","","100.402","0.002","90","","5035.6","0.7","150","","150","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C40 H108 Ge6 Se10 Si12 -","- C40 H108 Ge6 Se10 Si12 -","- C80 H216 Ge12 Se20 Si24 -","2","0.5","","Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas","LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2663","2670","10.1039/d0dt04280c","","x-ray","0.71073","MoKα","","0.0789","0.0488","","","0.1138","0.1264","","","","","","0.944","","","","has coordinates,has disorder","262659","2021-03-05","02:09:22",""
"7706538","9.4374","0.0012","21.327","0.003","25.337","0.003","90","","99.818","0.004","90","","5024.9","1.1","150","","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H142 Ge6 Li2 O4 Si12 Te8 -","- C56 H142 Ge6 Li2 O4 Si12 Te8 -","- C112 H284 Ge12 Li4 O8 Si24 Te16 -","2","0.5","","Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas","LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2663","2670","10.1039/d0dt04280c","","x-ray","0.71073","MoKα","","0.101","0.0491","","","0.0876","0.1099","","","","","","0.993","","","","has coordinates,has disorder","262659","2021-03-05","02:09:22",""
"7706539","16.1891","0.0011","8.9321","0.0005","23.1404","0.0014","90","","98.483","0.002","90","","3309.6","0.4","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H54 Si6 Te2 -","- C20 H54 Si6 Te2 -","- C80 H216 Si24 Te8 -","4","0.5","","Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas","LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2663","2670","10.1039/d0dt04280c","","x-ray","0.71073","MoKα","","0.0316","0.0266","","","0.0619","0.0644","","","","","","1.102","","","","has coordinates","262659","2021-03-05","02:09:22",""
"7706540","16.49269","0.00012","19.41043","0.00012","19.28026","0.00014","90","","112.261","0.0009","90","","5712.15","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Al Cl3 N2 -","- C27 H36 Al Cl3 N2 -","- C216 H288 Al8 Cl24 N16 -","8","2","","Mikhaylov, Vladimir N.; Kazakov, Igor V.; Parfeniuk, Tatiana N.; Khoroshilova, Olesya V.; Scheer, Manfred; Timoshkin, Alexey Y.; Balova, Irina A.","The carbene transfer to strong Lewis acids: copper is better than silver.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2872","2879","10.1039/d1dt00235j","","","1.54184","CuKα","","0.0385","0.0342","","","0.0891","0.0915","","","","","","1.026","","","","has coordinates","262607","2021-03-05","01:55:58",""
"7706541","17.0476","0.0003","18.1781","0.0003","18.1243","0.0003","90","","100.619","0.002","90","","5520.41","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Ag Cl4 Ga N4 -","- C54 H72 Ag Cl4 Ga N4 -","- C216 H288 Ag4 Cl16 Ga4 N16 -","4","0.5","","Mikhaylov, Vladimir N.; Kazakov, Igor V.; Parfeniuk, Tatiana N.; Khoroshilova, Olesya V.; Scheer, Manfred; Timoshkin, Alexey Y.; Balova, Irina A.","The carbene transfer to strong Lewis acids: copper is better than silver.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2872","2879","10.1039/d1dt00235j","","","0.71073","MoKα","","0.0506","0.0456","","","0.1058","0.1078","","","","","","1.239","","","","has coordinates","262607","2021-03-05","01:55:58",""
"7706542","17.0566","0.0002","18.1442","0.0002","18.0974","0.0002","90","","100.508","0.001","90","","5506.83","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Ag Al Cl4 N4 -","- C54 H72 Ag Al Cl4 N4 -","- C216 H288 Ag4 Al4 Cl16 N16 -","4","0.5","","Mikhaylov, Vladimir N.; Kazakov, Igor V.; Parfeniuk, Tatiana N.; Khoroshilova, Olesya V.; Scheer, Manfred; Timoshkin, Alexey Y.; Balova, Irina A.","The carbene transfer to strong Lewis acids: copper is better than silver.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2872","2879","10.1039/d1dt00235j","","x-ray","1.54184","CuKα","","0.0329","0.0322","","","0.0801","0.0807","","","","","","1.069","","","","has coordinates","262607","2021-03-05","01:55:58",""
"7706543","16.9667","0.0002","18.3327","0.0002","18.2364","0.0003","90","","100.503","0.001","90","","5577.31","0.13","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Ag Cl4 In N4 -","- C54 H72 Ag Cl4 In N4 -","- C216 H288 Ag4 Cl16 In4 N16 -","4","0.5","","Mikhaylov, Vladimir N.; Kazakov, Igor V.; Parfeniuk, Tatiana N.; Khoroshilova, Olesya V.; Scheer, Manfred; Timoshkin, Alexey Y.; Balova, Irina A.","The carbene transfer to strong Lewis acids: copper is better than silver.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2872","2879","10.1039/d1dt00235j","","x-ray","1.54184","CuKα","","0.0294","0.0285","","","0.0722","0.073","","","","","","1.029","","","","has coordinates","262607","2021-03-05","01:55:58",""
"7706544","10.05338","0.00011","18.29549","0.00018","19.0563","0.0002","90","","100.737","0.001","90","","3443.7","0.06","100","0.6","100","0.6","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H50 Mg N2 O2 -","- C38 H50 Mg N2 O2 -","- C152 H200 Mg4 N8 O8 -","4","2","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.033","0.0312","","","0.0799","0.0816","","","","","","0.983","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706545","21.5853","0.0005","19.8516","0.0005","11.09","0.0003","90","","90","","90","","4752.1","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C46 H66 Ca N2 O4 -","- C46 H66 Ca N2 O4 -","- C184 H264 Ca4 N8 O16 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0813","0.0751","","","0.2181","0.2273","","","","","","1.027","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706546","15.2128","0.0001","15.606","0.0001","20.6921","0.0002","90","","90","","90","","4912.53","0.07","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H58 Ca N2 O2 -","- C61 H58 Ca N2 O2 -","- C244 H232 Ca4 N8 O8 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0394","0.038","","","0.0987","0.1004","","","","","","1.101","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706547","11.46322","0.00013","18.5099","0.00018","31.3065","0.0003","90","","90","","90","","6642.71","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H94 Ca N2 O7 -","- C78 H94 Ca N2 O7 -","- C312 H376 Ca4 N8 O28 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0493","0.0474","","","0.1276","0.1295","","","","","","1.035","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706548","11.26267","0.00011","11.38212","0.00012","32.9097","0.0003","90","","90","","90","","4218.8","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H53.52 Ca N4 O3 -","- C50 H53.516 Ca N4 O3 -","- C200 H214.064 Ca4 N16 O12 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0367","0.0349","","","0.0783","0.0792","","","","","","1.059","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706549","20.5914","0.0003","20.9696","0.0003","22.3214","0.0003","90","","90","","90","","9638.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Ca N2 O2 P2 -","- C58 H54 Ca N2 O2 P2 -","- C464 H432 Ca8 N16 O16 P16 -","8","2","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.029","0.0275","","","0.0692","0.0703","","","","","","1.023","","","","has coordinates","263760","2021-04-05","14:49:34",""
"7706550","12.1428","0.0003","21.8698","0.0006","12.4391","0.0003","90","","118.168","0.001","90","","2912.11","0.13","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- B10 H0 N0.5 Na1.5 Ni0.5 O32.2 V3 -","- B10 N0.5 Na1.5 Ni0.5 O32.2 V3 -","- B40 N2 Na6 Ni2 O128.8 V12 -","4","1","","Zhang, Le; Liu, Xinxin; Shang, Mingyu; Sun, Fuxing; Jian, Juan; Bu, Ke; Zeng, Decheng; Yuan, Hongming","Efficient proton conductivity of a novel 3D open-framework vanadoborate with [V<sub>6</sub>B<sub>20</sub>] architectures.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3240","3246","10.1039/d0dt04426a","","","0.71073","MoKα","","0.0705","0.0627","","","0.2185","0.228","","","","","","1.883","","","","has coordinates,has disorder","263756","2021-04-05","14:48:29",""
"7706551","13.7142","0.0002","10.3493","0.0003","7.4175","0.0005","90","","103.39","0.004","90","","1024.16","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C H11 Cd N2 O6 P3 -","- C H11 Cd N2 O6 P3 -","- C4 H44 Cd4 N8 O24 P12 -","4","1","","Mączka, Mirosław; Stefańska, Dagmara; Ptak, Maciej; Gągor, Anna; Pikul, Adam; Sieradzki, Adam","Cadmium and manganese hypophosphite perovskites templated by formamidinium cations: dielectric, optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2639","2647","10.1039/d0dt03995k","","x-ray","0.71073","MoKα","","0.036","0.0274","","","0.0544","0.0574","","","","","","1.079","","","","has coordinates,has disorder","262653","2021-03-05","02:07:46",""
"7706552","13.6653","0.0004","10.3708","0.0003","7.5573","0.0003","90","","103.058","0.003","90","","1043.33","0.06","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H11 Cd N2 O6 P3 -","- C H11 Cd N2 O6 P3 -","- C4 H44 Cd4 N8 O24 P12 -","4","0.5","","Mączka, Mirosław; Stefańska, Dagmara; Ptak, Maciej; Gągor, Anna; Pikul, Adam; Sieradzki, Adam","Cadmium and manganese hypophosphite perovskites templated by formamidinium cations: dielectric, optical and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2639","2647","10.1039/d0dt03995k","","x-ray","0.71073","MoKα","","0.0227","0.0184","","","0.0433","0.0458","","","","","","1.068","","","","has coordinates","262653","2021-03-05","02:07:46",""
"7706553","9.3019","0.0007","11.1262","0.0008","30.687","0.002","90","","94.077","0.001","90","","3167.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N4 O7 Zn -","- C35 H28 N4 O7 Zn -","- C140 H112 N16 O28 Zn4 -","4","1","","Wang, Xiaohe; Lei, Mingyuan; Zhang, Tianjun; Zhang, Qingfu; Zhang, Rufen; Yang, Ming","A water-stable multi-responsive luminescent Zn-MOF sensor for detecting TNP, NZF and Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3816","3824","10.1039/d0dt03049j","","","0.71073","MoKα","","0.105","0.0581","","","0.1365","0.151","","","","","","1.077","","","","has coordinates","263767","2021-04-05","14:51:40",""
"7706554","14.2394","0.0004","13.5889","0.0003","15.0927","0.0004","90","","106.363","0.003","90","","2802.12","0.13","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H88 N4 V2 -","- C64 H88 N4 V2 -","- C128 H176 N8 V4 -","2","0.5","","Zhang, Lei; Zhou, Hongfei; Bai, Shaokun; Li, Shaodan","A benzene-bridged divanadium complex-early transition metal catalyst for alkene alkylarylation with PhI(O<sub>2</sub>CR)<sub>2</sub><i>via</i> decarboxylation.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3201","3206","10.1039/d0dt04295a","","x-ray","1.54184","CuKα","","0.0494","0.0437","","","0.1025","0.1062","","","","","","1.031","","","","has coordinates,has disorder","263759","2021-04-05","14:49:05",""
"7706555","25.0348","0.001","17.4283","0.0007","13.2012","0.0005","90","","91.017","0.001","90","","5759","0.4","298.15","0.1","298.15","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Ag6 N18 O12 -","- C42 H60 Ag6 N18 O12 -","- C168 H240 Ag24 N72 O48 -","4","1","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0712","0.0404","","","0.0825","0.0943","","","","","","1.026","","","","has coordinates,has disorder","262602","2021-03-05","01:54:26",""
"7706556","13.1758","0.0002","21.4602","0.0004","13.1785","0.0003","90","","100.041","0.0018","90","","3669.22","0.12","120","10","120","10","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Ag3 N9 O6 S -","- C33 H38 Ag3 N9 O6 S -","- C132 H152 Ag12 N36 O24 S4 -","4","1","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0444","0.0366","","","0.0797","0.0846","","","","","","1.03","","","","has coordinates","262602","2021-03-05","01:54:27",""
"7706557","12.8398","0.0006","21.8537","0.001","14.0702","0.0006","90","","98.497","0.001","90","","3904.7","0.3","298.15","0.1","298.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Cu3 N9 O6 S -","- C35 H42 Cu3 N9 O6 S -","- C140 H168 Cu12 N36 O24 S4 -","4","1","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0509","0.0357","","","0.0844","0.0926","","","","","","1.019","","","","has coordinates,has disorder","262602","2021-03-05","01:54:27",""
"7706558","12.8446","0.0018","21.39","0.003","13.7791","0.0019","90","","99.202","0.004","90","","3737","0.9","298.15","0.1","298.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Cu3 N9 O6 S -","- C33 H38 Cu3 N9 O6 S -","- C132 H152 Cu12 N36 O24 S4 -","4","1","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0822","0.05","","","0.13","0.15","","","","","","1.022","","","","has coordinates","262602","2021-03-05","01:54:27",""
"7706559","13.2738","0.0006","22.3282","0.0007","13.8197","0.0006","90","","100.078","0.004","90","","4032.7","0.3","298.15","0.1","298.15","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 Ag3 N9 O6 S -","- C35 H42 Ag3 N9 O6 S -","- C140 H168 Ag12 N36 O24 S4 -","4","1","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0816","0.0626","","","0.1762","0.2069","","","","","","1.067","","","","has coordinates","262602","2021-03-05","01:54:27",""
"7706560","24.6486","0.0015","17.7157","0.001","12.7565","0.0007","90","","90.671","0.002","90","","5570","0.6","298.15","0.1","298.15","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cu3 N9 O6 -","- C21 H30 Cu3 N9 O6 -","- C168 H240 Cu24 N72 O48 -","8","2","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0734","0.0519","","","0.1267","0.1383","","","","","","1.059","","","","has coordinates,has disorder","262602","2021-03-05","01:54:27",""
"7706561","19.2517","0.0004","24.1571","0.0005","14.3647","0.0003","90","","105.578","0.0008","90","","6435.1","0.2","298.15","0.1","298.15","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H66 Ag6 N18 O12 S -","- C50 H66 Ag6 N18 O12 S -","- C200 H264 Ag24 N72 O48 S4 -","4","0.5","","Yang, Lin; Wang, Lihong; Lv, Xingpu; Chen, Jing-Huo; Wang, Yang; Yang, Guang","Complexation of triangular silver(I) or copper(I) nitropyrazolates with dibenzothiophenes having potential use in adsorptive desulfurization.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2915","2927","10.1039/d0dt04037a","","","0.71073","MoKα","","0.0701","0.048","","","0.1056","0.1154","","","","","","1.062","","","","has coordinates,has disorder","262602","2021-03-05","01:54:27",""
"7706562","14.263","0.003","38.29","0.008","15.471","0.003","90","","104.04","0.03","90","","8197","3","163.15","","163.15","","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","1(BPh4)-MeCN-163K","1(BPh4)-MeCN-163K","","- C100 H91 B2 Fe N7 O5 -","- C94 H78 B2 Fe N6 O4 -","- C376 H312 B8 Fe4 N24 O16 -","4","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.088","0.0773","","","0.1607","0.1666","","","","","","1.168","","","","has coordinates","263753","2021-04-05","14:47:57",""
"7706563","11.389","0.002","12.886","0.003","30.629","0.006","90","","90","","90","","4495.1","1.6","153.15","","153.15","","","","","","","","no","6","P 21 21 21","P 2ac 2ab","19","2(ClO4)-MeOH-153K","2(ClO4)-MeOH-153K","","- C47 H42 Cl2 Fe N6 O13 -","- C46 H38 Cl2 Fe N6 O12 -","- C184 H152 Cl8 Fe4 N24 O48 -","4","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.057","0.0538","","","0.1343","0.1377","","","","","","1.071","","","","has coordinates,has disorder","263753","2021-04-05","14:47:58",""
"7706564","37.525","0.008","12.034","0.002","23.788","0.005","90","","109.13","0.03","90","","10149","4","163.15","","163.15","","","","","","","","no","7","C 1 2/c 1","-C 2yc","15","1(PF6)-MeCN-163K","1(PF6)-MeCN-163K","","- C56 H53 F12 Fe N11 O4 P2 -","- C46 H38 F12 Fe N6 O4 P2 -","- C368 H304 F96 Fe8 N48 O32 P16 -","8","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.0903","0.0805","","","0.2114","0.219","","","","","","1.183","","","","has coordinates,has disorder","263753","2021-04-05","14:47:58",""
"7706565","13.856","0.003","18.314","0.004","17.523","0.004","90","","90.47","0.03","90","","4446.5","1.7","153.15","","153.15","","","","","","","","no","6","P 1 21/n 1","-P 2yn","14","3(ClO4)-MeOH-153K","3(ClO4)-MeOH-153K","","- C47 H42 Cl2 Fe N6 O13 -","- C47 H42 Cl2 Fe N6 O13 -","- C188 H168 Cl8 Fe4 N24 O52 -","4","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.063","0.0568","","","0.1223","0.1263","","","","","","1.125","","","","has coordinates","263753","2021-04-05","14:47:58",""
"7706566","42.453","0.005","11.222","0.0012","21.261","0.002","90","","118.425","0.002","90","","8907.8","1.7","296.15","","296.15","","","","","","","","no","6","C 1 2/c 1","-C 2yc","15","1(ClO4)-296K","1(ClO4)-296K","","- C46 H38 Cl2 Fe N6 O12 -","- C46 H38 Cl2 Fe N6 O12 -","- C368 H304 Cl16 Fe8 N48 O96 -","8","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.0864","0.0601","","","0.1183","0.1363","","","","","","1.16","","","","has coordinates,has disorder","263753","2021-04-05","14:47:58",""
"7706567","17.173","0.003","16.506","0.003","31.917","0.006","90","","90","","90","","9047","3","163.15","","163.15","","","","","","","","no","7","P b c a","-P 2ac 2ab","61","1(BF4)-MeCN-163K","1(BF4)-MeCN-163K","","- C48 H41 B2 F8 Fe N7 O4 -","- C48 H41 B2 F8 Fe N7 O4 -","- C384 H328 B16 F64 Fe8 N56 O32 -","8","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.0907","0.0839","","","0.1378","0.1407","","","","","","1.292","","","","has coordinates","263753","2021-04-05","14:47:58",""
"7706568","9.0156","0.0006","11.2788","0.0007","11.6948","0.0008","105.173","0.002","97.581","0.002","100.899","0.002","1106.19","0.13","140","2","140","","","","","","","","","5","P -1","-P 1","2","","","","- Co H48 Na4 O52 V10 -","- Co H48 Na4 O52 V10 -","- Co H48 Na4 O52 V10 -","1","0.5","","Sahu, Pradip Kumar; Mondal, Arpan; Konar, Sanjit","A trapped hexaaqua Co<sup>II</sup> complex between the polyanionic sheets of decavanadate reveals high axial anisotropy and field induced SIM behaviour.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3825","3831","10.1039/d0dt04339g","","","0.71073","MoKα","","0.0453","0.0374","","","0.0862","0.0903","","","","","","1.102","","","","has coordinates,has disorder","263763","2021-04-05","14:50:18",""
"7706569","10.4481","0.0004","14.8507","0.0006","15.1867","0.0006","93.0616","0.0014","109.843","0.0013","90.8587","0.0013","2211.94","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H50 B20 N6 O -","- C35 H50 B20 N6 O -","- C70 H100 B40 N12 O2 -","2","1","","Kim, Mingi; Im, Sehee; Ryu, Chan Hee; Lee, Seok Ho; Hong, Ju Hyun; Lee, Kang Mun","Impact of deboronation on the electronic characteristics of closo-o-carborane: intriguing photophysical changes in triazole-appended carboranyl luminophores.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3207","3215","10.1039/d0dt04038j","","","0.71073","MoKα","","0.0685","0.0541","","","0.1313","0.143","","","","","","1.047","","","","has coordinates","263754","2021-04-05","14:48:08",""
"7706570","25.43","0.005","14.506","0.003","16.515","0.003","90","","100.4","0.03","90","","5992","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 B10 N3 -","- C23 H35 B10 N3 -","- C184 H280 B80 N24 -","8","1","","Kim, Mingi; Im, Sehee; Ryu, Chan Hee; Lee, Seok Ho; Hong, Ju Hyun; Lee, Kang Mun","Impact of deboronation on the electronic characteristics of closo-o-carborane: intriguing photophysical changes in triazole-appended carboranyl luminophores.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3207","3215","10.1039/d0dt04038j","","","0.71073","MoKα","","0.1308","0.0749","","","0.2108","0.2531","","","","","","1.051","","","","has coordinates,has disorder","263754","2021-04-05","14:48:08",""
"7706571","20.4416","0.0003","20.0797","0.0002","17.5281","0.0002","90","","93.284","0.001","90","","7182.79","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H45 Cu F30 Gd N6 O14 -","- C61 H45 Cu F30 Gd N6 O14 -","- C244 H180 Cu4 F120 Gd4 N24 O56 -","4","1","","Lu, Jiao; Jing, Pei; Jin, Chaoyi; Xie, Junfang; Li, Licun","Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl nitroxide radicals around the metal center.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3280","3288","10.1039/d1dt00090j","","","1.54184","CuKα","","0.1171","0.1127","","","0.2517","0.2544","","","","","","0.998","","","","has coordinates,has disorder","263761","2021-04-05","14:50:00",""
"7706572","14.117","0.003","25.58","0.005","26.709","0.005","90","","103.92","0.03","90","","9362","3","113.15","","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 Cu2 F42 N8 O18 Tb -","- C69 H45 Cu2 F42 N8 O18 Tb -","- C276 H180 Cu8 F168 N32 O72 Tb4 -","4","1","","Lu, Jiao; Jing, Pei; Jin, Chaoyi; Xie, Junfang; Li, Licun","Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl nitroxide radicals around the metal center.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3280","3288","10.1039/d1dt00090j","","","0.71073","MoKα","","0.1212","0.0934","","","0.2247","0.2453","","","","","","1.004","","","","has coordinates","263761","2021-04-05","14:50:00",""
"7706573","14.12","0.003","25.617","0.005","26.711","0.005","90","","103.87","0.03","90","","9380","3","113.15","","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 Cu2 Dy F42 N8 O18 -","- C69 H45 Cu2 Dy F42 N8 O18 -","- C276 H180 Cu8 Dy4 F168 N32 O72 -","4","1","","Lu, Jiao; Jing, Pei; Jin, Chaoyi; Xie, Junfang; Li, Licun","Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl nitroxide radicals around the metal center.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3280","3288","10.1039/d1dt00090j","","","0.71073","MoKα","","0.0963","0.0728","","","0.2004","0.2246","","","","","","0.997","","","","has coordinates","263761","2021-04-05","14:50:00",""
"7706574","20.406","0.0004","20.0653","0.0004","17.4861","0.0003","90","","93.35","0.002","90","","7147.5","0.2","80","","80","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H45 Cu Dy F30 N6 O14 -","- C61 H45 Cu Dy F30 N6 O14 -","- C244 H180 Cu4 Dy4 F120 N24 O56 -","4","1","","Lu, Jiao; Jing, Pei; Jin, Chaoyi; Xie, Junfang; Li, Licun","Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl nitroxide radicals around the metal center.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3280","3288","10.1039/d1dt00090j","","","1.54184","CuKα","","0.1101","0.106","","","0.229","0.2311","","","","","","0.995","","","","has coordinates,has disorder","263761","2021-04-05","14:50:00",""
"7706575","14.19","0.003","25.64","0.005","26.876","0.005","90","","104.1","0.03","90","","9484","3","113.15","","113.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 Cu2 F42 Gd N8 O18 -","- C69 H45 Cu2 F42 Gd N8 O18 -","- C276 H180 Cu8 F168 Gd4 N32 O72 -","4","1","","Lu, Jiao; Jing, Pei; Jin, Chaoyi; Xie, Junfang; Li, Licun","Modulating the magnetization dynamics in Ln-Cu-Rad hetero-tri-spin complexes through <i>cis</i>/<i>trans</i> coordination of nitronyl nitroxide radicals around the metal center.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3280","3288","10.1039/d1dt00090j","","","0.71073","MoKα","","0.103","0.0831","","","0.2279","0.2495","","","","","","1.007","","","","has coordinates","263761","2021-04-05","14:50:00",""
"7706576","15.311","0.005","13.056","0.005","34.46","0.005","90","0.005","100.11","0.005","90","0.005","6782","4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C66 H32 Co2 N12 O12 -","- C66 H32 Co2 N12 O12 -","- C264 H128 Co8 N48 O48 -","4","1","","Han, Zhen; Fu, Yaomei; Zhang, Yingchao; Zhang, Xiao; Meng, Xing; Zhou, Ziyan; Su, Zhongmin","Metal-organic framework (MOF) composite materials for photocatalytic CO<sub>2</sub> reduction under visible light.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3186","3192","10.1039/d1dt00128k","","","0.71069","MoKα","","0.0473","0.0414","","","0.1162","0.1236","","","","","","1.071","","","","has coordinates","263762","2021-04-05","14:50:10",""
"7706577","25.1212","0.0006","25.1212","0.0006","12.0964","0.0006","90","","90","","90","","7633.7","0.5","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C48 H88 Cl17 N16 Sb3 -","- C48 H88 Cl17 N16 Sb3 -","- C192 H352 Cl68 N64 Sb12 -","4","0.5","","Zhang, Zhi-Zhuan; Jin, Jian-Ce; Gong, Liao-Kuo; Lin, Yang-Peng; Du, Ke-Zhao; Huang, Xiao-Ying","Co-luminescence in a zero-dimensional organic-inorganic hybrid antimony halide with multiple coordination units.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3586","3592","10.1039/d0dt04388e","","","0.71073","MoKα","","0.0661","0.037","","","0.07","0.0853","","","","","","1.037","","","","has coordinates,has disorder","263752","2021-04-05","14:46:50",""
"7706578","20.4731","0.0012","19.8145","0.0011","8.2261","0.0005","90","","91.1","0.002","90","","3336.4","0.3","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 Cl4 N4 O3 Ru -","- C31 H40 Cl4 N4 O3 Ru -","- C124 H160 Cl16 N16 O12 Ru4 -","4","1","","Srivastava, Payal; Verma, Madhu; Kumar, Anmol; Srivastava, Priyanka; Mishra, Ramranjan; Sivakumar, Sri; Patra, Ashis K.","Luminescent naphthalimide-tagged ruthenium(ii)-arene complexes: cellular imaging, photocytotoxicity and transferrin binding.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3629","3640","10.1039/d0dt02967j","","","0.71073","MoKα","","0.043","0.0317","","","0.1074","0.1282","","","","","","0.9834","","","","has coordinates","263740","2021-04-05","14:42:23",""
"7706579","20.4381","0.0007","5.9114","0.0002","28.753","0.0008","90","","130.941","0.002","90","","2624.11","0.17","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 N S2 -","- C35 H25 N S2 -","- C140 H100 N4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.1731","0.0556","","","0.0941","0.1223","","","","","","0.905","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706580","9.6675","0.0002","23.3392","0.0004","12.9169","0.0002","90","","111.147","0.0009","90","","2718.2","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Br N O3 Re S2 -","- C26 H29 Br N O3 Re S2 -","- C104 H116 Br4 N4 O12 Re4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.0433","0.0303","","","0.0606","0.0649","","","","","","0.988","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706581","10.7007","0.0004","10.9549","0.0004","12.8192","0.0006","83.524","0.002","80.524","0.002","87.817","0.002","1472.48","0.1","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H21 Br N O3 Re S2 -","- C30 H21 Br N O3 Re S2 -","- C60 H42 Br2 N2 O6 Re2 S4 -","2","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.0483","0.037","","","0.0922","0.0985","","","","","","0.948","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706582","11.9898","0.0003","14.9435","0.0004","22.7467","0.0005","90","","110.266","0.001","90","","3823.22","0.17","115","2","115","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C65 H48 Cl6 F6 N2 O12 Re2 S6 -","- C65 H48 Cl6 F6 N2 O12 Re2 S6 -","- C130 H96 Cl12 F12 N4 O24 Re4 S12 -","2","0.5","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.073","0.0533","","","0.1124","0.123","","","","","","1.071","","","","has coordinates,has disorder","262605","2021-03-05","01:55:34",""
"7706583","18.0038","0.0005","9.5728","0.0003","18.2867","0.0006","90","","95.357","0.002","90","","3137.89","0.17","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 Cl3 N O3 Re S2 -","- C32 H23 Cl3 N O3 Re S2 -","- C128 H92 Cl12 N4 O12 Re4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.0644","0.0465","","","0.0844","0.092","","","","","","1.103","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706584","10.4796","0.0002","10.1519","0.0002","25.1136","0.0005","90","","93.794","0.001","90","","2665.93","0.09","115","2","115","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H29 Cl N O3 Re S2 -","- C26 H29 Cl N O3 Re S2 -","- C104 H116 Cl4 N4 O12 Re4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.0519","0.0358","","","0.0814","0.087","","","","","","1.041","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706585","11.9182","0.0002","12.5778","0.0003","18.4701","0.0002","91.684","0.001","98.855","0.001","90.271","0.001","2734.45","0.09","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H29 Cl N O3 Re S2 -","- C26 H29 Cl N O3 Re S2 -","- C104 H116 Cl4 N4 O12 Re4 S8 -","4","2","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","","0.71073","MoKα","","0.0223","0.0205","","","0.0473","0.0482","","","","","","1.128","","","","has coordinates,has disorder","262605","2021-03-05","01:55:34",""
"7706586","16.739","0.008","9.579","0.005","22.898","0.009","90","","94.956","0.012","90","","3658","3","173","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 Cl7 N O3 Re S2 -","- C32 H23 Cl7 N O3 Re S2 -","- C128 H92 Cl28 N4 O12 Re4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","x-ray","0.71073","MoKα","","0.0481","0.0361","","","0.0854","0.0911","","","","","","1.014","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706587","7.3829","0.0009","21.931","0.003","22.433","0.003","61.691","0.002","88.62","0.002","88.971","0.002","3196.8","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H21 I N O3 Re S2 -","- C30 H21 I N O3 Re S2 -","- C120 H84 I4 N4 O12 Re4 S8 -","4","2","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","x-ray","0.71073","MoKα","","0.0722","0.0576","","","0.1382","0.1469","","","","","","1.04","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706588","13.812","0.003","18.927","0.003","19.852","0.003","90","","90","","90","","5189.7","1.6","173","2","173.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H25 Br N O3 Re S2 -","- C24 H25 Br N O3 Re S2 -","- C192 H200 Br8 N8 O24 Re8 S16 -","8","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","x-ray","0.71073","MoKα","","0.0237","0.0188","","","0.043","0.0445","","","","","","1.026","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706589","23.3652","0.0008","21.7884","0.0007","6.1889","0.0002","90","","90","","90","","3150.71","0.18","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C38 H25 Cl N O3 Re S2 -","- C38 H25 Cl N O3 Re S2 -","- C152 H100 Cl4 N4 O12 Re4 S8 -","4","1","","Schlachter, Adrien; Juvenal, Frank; Kinghat Tangou, Rodolphe; Khatyr, Abderrahim; Guyon, Fabrice; Karsenti, Paul-Ludovic; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Harvey, Pierre D.; Knorr, Michael","2-Azabutadiene complexes of rhenium(I): <i>S</i>,<i>N</i>-chelated species with photophysical properties heavily governed by the ligand hidden traits.","Dalton transactions (Cambridge, England : 2003)","2021","50","8","2945","2963","10.1039/d0dt04183a","","x-ray","0.71073","MoKα","","0.0418","0.03","","","0.0532","0.0577","","","","","","1.069","","","","has coordinates","262605","2021-03-05","01:55:34",""
"7706590","6.4223","0.0003","19.5157","0.0008","6.7998","0.0003","90","","117.533","0.001","90","","755.73","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C H5 Ag2 N S3 Sb -","- C H5 Ag2 N S3 Sb -","- C4 H20 Ag8 N4 S12 Sb4 -","4","1","","Yang, Gang; Jiang, Xingxing; Wu, Chao; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Facile syntheses of silver thioantimonates exhibiting second-harmonic generation responses and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3568","3576","10.1039/d0dt04043f","","","0.71073","MoKα","","0.0457","0.0376","","","0.0781","0.0811","","","","","","1.1","","","","has coordinates","263748","2021-04-05","14:45:17",""
"7706591","6.1891","0.0012","11.953","0.002","7.422","0.003","90","","119.46","0.02","90","","478.1","0.2","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C2 H9 Ag2 N2 S3 Sb -","- C2 H9 Ag2 N2 S3 Sb -","- C4 H18 Ag4 N4 S6 Sb2 -","2","1","","Yang, Gang; Jiang, Xingxing; Wu, Chao; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Facile syntheses of silver thioantimonates exhibiting second-harmonic generation responses and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3568","3576","10.1039/d0dt04043f","","","0.71073","MoKα","","0.0605","0.0392","","","0.0552","0.0591","","","","","","1.086","","","","has coordinates","263748","2021-04-05","14:45:17",""
"7706592","15.3982","0.0003","9.2903","0.0003","29.2782","0.0008","90","","94.218","0.002","90","","4177.02","0.19","233","2","233","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Au I3 N6 O2 -","- C40 H46 Au I3 N6 O2 -","- C160 H184 Au4 I12 N24 O8 -","4","0.5","","Gallati, Caroline Marie; Goetzfried, Sina Katharina; Ortmeier, Anna; Sagasser, Jessica; Wurst, Klaus; Hermann, Martin; Baecker, Daniel; Kircher, Brigitte; Gust, Ronald","Synthesis, characterization and biological activity of bis[3-ethyl-4-aryl-5-(2-methoxypyridin-5-yl)-1-propyl-1,3-dihydro-2H-imidazol-2-ylidene]gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4270","4279","10.1039/d0dt03902k","","","0.71073","MoKα","","0.0695","0.0358","","","0.0563","0.0624","","","","","","1.021","","","","has coordinates","263790","2021-04-05","14:58:47",""
"7706593","9.3223","0.0009","16.8722","0.0017","19.38","0.002","90","","100.629","0.002","90","","2995.9","0.5","150","0.5","150","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl2 Cu N4 O10 -","- C24 H40 Cl2 Cu N4 O10 -","- C96 H160 Cl8 Cu4 N16 O40 -","4","1","","Counsell, Andrew J.; Yu, Mingfeng; Shi, Mengying; Jones, Angus T.; Batten, James M.; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J.","Copper(ii) complexes of N-propargyl cyclam ligands reveal a range of coordination modes and colours, and unexpected reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3931","3942","10.1039/d0dt03736b","","","0.71073","MoKα","","0.0934","0.0803","","","0.2027","0.2107","","","","","","1.172","","","","has coordinates,has disorder","263764","2021-04-05","14:50:35",""
"7706594","31.689","0.005","8.5129","0.0012","16.517","0.002","90","","112.422","0.002","90","","4118.9","1","150","0.5","150","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.25 H27 Cl2 Cu N4 O8.25 -","- C13.25 H27 Cl2 Cu N4 O8.25 -","- C106 H216 Cl16 Cu8 N32 O66 -","8","1","","Counsell, Andrew J.; Yu, Mingfeng; Shi, Mengying; Jones, Angus T.; Batten, James M.; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J.","Copper(ii) complexes of N-propargyl cyclam ligands reveal a range of coordination modes and colours, and unexpected reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3931","3942","10.1039/d0dt03736b","","","0.71073","MoKα","","0.0463","0.0358","","","0.0873","0.0907","","","","","","1.362","","","","has coordinates,has disorder","263764","2021-04-05","14:50:35",""
"7706595","17.9502","0.0002","9.1454","0.0002","16.4097","0.0001","90","","106.329","0.002","90","","2585.18","0.07","150","0.5","150","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H35 Cl2 Cu N5 O8 -","- C20 H35 Cl2 Cu N5 O8 -","- C80 H140 Cl8 Cu4 N20 O32 -","4","1","","Counsell, Andrew J.; Yu, Mingfeng; Shi, Mengying; Jones, Angus T.; Batten, James M.; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J.","Copper(ii) complexes of N-propargyl cyclam ligands reveal a range of coordination modes and colours, and unexpected reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3931","3942","10.1039/d0dt03736b","","","1.5418","CuKα","","0.0633","0.0592","","","0.1375","0.1397","","","","","","1.195","","","","has coordinates","263764","2021-04-05","14:50:35",""
"7706596","7.2574","0.0004","11.2605","0.0006","7.153","0.0004","90","","90","","90","","584.56","0.06","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 N3 O3 P -","- C3 N3 O3 P -","- C12 N12 O12 P4 -","4","0.5","","Hu, Dandan; Lu, Bo; Song, Chao; Zhu, Bifeng; Wang, Lina; Bernhardt, Eduard; Zeng, Xiaoqing","Synthesis and characterization of phosphorous(III) diisocyanate and triisocyanate.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3299","3307","10.1039/d1dt00261a","","","0.71073","MoKα","","0.0287","0.0265","","","0.0716","0.0736","","","","","","1.107","","","","has coordinates","263758","2021-04-05","14:48:48",""
"7706597","7.2241","0.0017","12.227","0.003","6.3593","0.001","90","","90","","90","","561.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 Cl N2 O2 P -","- C2 Cl N2 O2 P -","- C8 Cl4 N8 O8 P4 -","4","0.5","","Hu, Dandan; Lu, Bo; Song, Chao; Zhu, Bifeng; Wang, Lina; Bernhardt, Eduard; Zeng, Xiaoqing","Synthesis and characterization of phosphorous(III) diisocyanate and triisocyanate.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3299","3307","10.1039/d1dt00261a","","","0.71073","MoKα","","0.0412","0.0329","","","0.085","0.0894","","","","","","1.057","","","","has coordinates","263758","2021-04-05","14:48:57",""
"7706598","9.972","0.0014","11.9734","0.0018","16.945","0.003","93.098","0.005","98.044","0.005","109.2","0.006","1881","0.5","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C40.33 H36.67 B Cu F4 N4 O6 P -","- C40.3333 H36.6664 B0.9999 Cu F3.9996 N4 O5.9999 P -","- C80.6666 H73.3328 B1.9998 Cu2 F7.9992 N8 O11.9998 P2 -","2","1","","Paul, Anup; Singh, Priya; Kuznetsov, Maxim L.; Karmakar, Anirban; Guedes da Silva, M Fátima C; Koch, Biplob; Pombeiro, Armando J. L.","Influence of anchoring moieties on new benzimidazole-based Schiff base copper(II) complexes towards estrogen dependent breast cancer cells.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3701","3716","10.1039/d0dt03873c","","","0.71073","MoKα","","0.079","0.0439","","","0.0869","0.1","","","","","","1.0591","","","","has coordinates,has disorder","263746","2021-04-05","14:44:57",""
"7706599","10.0641","0.0006","10.8548","0.0006","11.1095","0.0006","76.414","0.002","81.176","0.002","65.105","0.002","1068.02","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 N O2 P S -","- C25 H22 N O2 P S -","- C50 H44 N2 O4 P2 S2 -","2","1","","Mote, Nilesh R.; Gaikwad, Shahaji R.; Khopade, Kishor V.; Gonnade, Rajesh G.; Chikkali, Samir H.","Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3717","3723","10.1039/d1dt00093d","","","0.71073","MoKα","","0.0367","0.0348","","","0.0852","0.0865","","","","","","1.052","","","","has coordinates","263744","2021-04-05","14:44:03",""
"7706600","9.959","0.002","11.496","0.003","13.574","0.003","91.745","0.008","100.761","0.008","95.062","0.009","1519","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H33 N2 O4 P Pd S -","- C33 H33 N2 O4 P Pd S -","- C66 H66 N4 O8 P2 Pd2 S2 -","2","1","","Mote, Nilesh R.; Gaikwad, Shahaji R.; Khopade, Kishor V.; Gonnade, Rajesh G.; Chikkali, Samir H.","Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3717","3723","10.1039/d1dt00093d","","","0.71073","MoKα","","0.0318","0.0273","","","0.0689","0.072","","","","","","1.062","","","","has coordinates","263744","2021-04-05","14:44:07",""
"7706601","9.5013","0.0004","10.9649","0.0004","13.6934","0.0005","73.562","0.002","70.075","0.002","71.803","0.002","1248.97","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 N O4 P S -","- C27 H26 N O4 P S -","- C54 H52 N2 O8 P2 S2 -","2","1","","Mote, Nilesh R.; Gaikwad, Shahaji R.; Khopade, Kishor V.; Gonnade, Rajesh G.; Chikkali, Samir H.","Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3717","3723","10.1039/d1dt00093d","","","0.71073","MoKα","","0.0625","0.0473","","","0.1235","0.1342","","","","","","1.03","","","","has coordinates","263744","2021-04-05","14:44:15",""
"7706602","9.466","0.007","13.978","0.011","22.863","0.018","74.14","0.02","87.92","0.02","85.66","0.02","2901","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 N2 O2 P Pd S -","- C31 H29 N2 O2 P Pd S -","- C124 H116 N8 O8 P4 Pd4 S4 -","4","2","","Mote, Nilesh R.; Gaikwad, Shahaji R.; Khopade, Kishor V.; Gonnade, Rajesh G.; Chikkali, Samir H.","Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3717","3723","10.1039/d1dt00093d","","","0.71073","MoKα","","0.0959","0.0657","","","0.1566","0.1679","","","","","","1.137","","","","has coordinates","263744","2021-04-05","14:44:15",""
"7706603","12.3236","0.0013","18.867","0.002","13.3975","0.0015","90","","105.039","0.004","90","","3008.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 N2 O4 P Pd S -","- C33 H33 N2 O4 P Pd S -","- C132 H132 N8 O16 P4 Pd4 S4 -","4","1","","Mote, Nilesh R.; Gaikwad, Shahaji R.; Khopade, Kishor V.; Gonnade, Rajesh G.; Chikkali, Samir H.","Controlled di-lithiation enabled synthesis of phosphine-sulfonamide ligands and implications in ethylene oligomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3717","3723","10.1039/d1dt00093d","","","0.71073","MoKα","","0.0274","0.0237","","","0.0568","0.0605","","","","","","1.075","","","","has coordinates","263744","2021-04-05","14:44:15",""
"7706604","4.8131","0.0001","22.3451","0.0003","15.3199","0.0002","90","","93.777","0.001","90","","1644.06","0.05","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O S -","- C21 H15.636 N2 O0.818 S -","- C84 H62.544 N8 O3.272 S4 -","4","1","","Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei","ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3916","3922","10.1039/d1dt00241d","","x-ray","1.54178","CuKα","","0.0452","0.0423","","","0.1112","0.1145","","","","","","1.049","","","","has coordinates,has disorder","263771","2021-04-05","14:52:58",""
"7706605","7.4154","0.0002","12.5669","0.0002","13.4796","0.0002","90","","95.107","0.002","90","","1251.16","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C33 H24 N2 O S -","- C33 H24 N2 O S -","- C66 H48 N4 O2 S2 -","2","1","","Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei","ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3916","3922","10.1039/d1dt00241d","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.0718","0.0726","","","","","","1.054","","","","has coordinates","263771","2021-04-05","14:52:58",""
"7706606","13.3315","0.0002","6.7941","0.0001","23.9317","0.0003","90","","104.232","0.001","90","","2101.1","0.05","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N2 O S -","- C27 H20 N2 O S -","- C108 H80 N8 O4 S4 -","4","1","","Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei","ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3916","3922","10.1039/d1dt00241d","","x-ray","1.54184","CuKα","","0.0331","0.0302","","","0.0796","0.0818","","","","","","1.035","","","","has coordinates","263771","2021-04-05","14:52:58",""
"7706607","22.0411","0.0003","10.85114","0.00013","17.7456","0.0002","90","","105.251","0.0013","90","","4094.77","0.09","100","0.12","100","0.12","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 N4 O2 S2 Zn -","- C54 H38 N4 O2 S2 Zn -","- C216 H152 N16 O8 S8 Zn4 -","4","1","","Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei","ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3916","3922","10.1039/d1dt00241d","","","1.54184","CuKα","","0.0532","0.0471","","","0.1165","0.1211","","","","","","1.062","","","","has coordinates,has disorder","263771","2021-04-05","14:52:58",""
"7706608","9.1613","0.00017","14.4849","0.0003","14.8515","0.0003","118.361","0.0019","94.9008","0.0016","96.0026","0.0015","1704.06","0.07","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 N4 O2 S2 Zn -","- C42 H30 N4 O2 S2 Zn -","- C84 H60 N8 O4 S4 Zn2 -","2","1","","Zheng, Han-Wen; Kang, Yang; Wu, Min; Liang, Qiong-Fang; Zheng, Jian-Quan; Zheng, Xiang-Jun; Jin, Lin-Pei","ESIPT-AIE active Schiff base based on 2-(2'-hydroxyphenyl)benzo-thiazole applied as multi-functional fluorescent chemosensors.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3916","3922","10.1039/d1dt00241d","","x-ray","1.54184","CuKα","","0.0372","0.0351","","","0.0945","0.0964","","","","","","1.0404","","","","has coordinates","263771","2021-04-05","14:52:58",""
"7706609","17.60897","0.00013","17.60897","0.00013","13.59834","0.00015","90","","90","","90","","4216.52","0.06","99.98","0.16","99.98","0.16","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 Ce N11 O19 P4 -","- C70 H99 Ce N9 O16 P4 -","- C140 H198 Ce2 N18 O32 P8 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","","1.54184","CuKα","","0.0244","0.024","","","0.0637","0.064","","","","","","1.075","","","","has coordinates,has disorder","263741","2021-04-05","14:43:02",""
"7706610","17.6843","0.0001","17.6843","0.0001","13.769","0.0002","90","","90","","90","","4306.04","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 N11 O19 P4 U -","- C74 H111 N11 O19 P4 U -","- C148 H222 N22 O38 P8 U2 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0355","0.0343","","","0.0917","0.0928","","","","","","1.137","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706611","17.74494","0.00004","17.74494","0.00004","13.70378","0.00006","90","","90","","90","","4315.09","0.02","100","0.5","100","0.5","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 N11 O19 P4 Th -","- C74 H111 N11 O19 P4 Th -","- C148 H222 N22 O38 P8 Th2 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0192","0.0188","","","0.0479","0.0483","","","","","","1.087","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706612","17.80376","0.00005","17.80376","0.00005","13.75097","0.00007","90","","90","","90","","4358.7","0.03","100","0.3","100","0.3","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H112 La N11 O19 P4 -","- C74 H112 La N11 O19 P4 -","- C148 H224 La2 N22 O38 P8 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0197","0.0196","","","0.0526","0.0527","","","","","","1.079","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706613","17.6551","0.0007","17.6551","0.0007","13.7559","0.0006","90","","90","","90","","4287.7","0.3","100","2","100","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C74 H111 N11 Np O19 P4 -","- C74 H111 N11 Np O19 P4 -","- C148 H222 N22 Np2 O38 P8 -","2","0.25","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","","0.71073","MoKα","","0.0161","0.0152","","","0.0388","0.0394","","","","","","1.124","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706614","11.6391","0.0003","13.3055","0.0003","20.5728","0.0003","91.504","0.002","90.766","0.002","111.16","0.002","2969.26","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C53 H75 Ce N7 O12 P3 -","- C53 H75 Ce N7 O12 P3 -","- C106 H150 Ce2 N14 O24 P6 -","2","1","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.04","0.0377","","","0.0986","0.1009","","","","","","1.071","","","","has coordinates","263741","2021-04-05","14:43:03",""
"7706615","13.1699","0.0001","18.4488","0.0001","17.904","0.0001","90","","106.073","0.001","90","","4180.07","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C74 H110 Ce N9 O17 P4 -","- C74 H110 Ce N9 O17 P4 -","- C148 H220 Ce2 N18 O34 P8 -","2","1","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.038","0.0377","","","0.0986","0.099","","","","","","1.046","","","","has coordinates","263741","2021-04-05","14:43:03",""
"7706616","13.69468","0.00008","24.32535","0.00012","23.65863","0.0001","90","","92.9022","0.0004","90","","7871.24","0.07","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H98 Cl2 N8 O16 P4 U -","- C69 H98 Cl2 N8 O16 P4 U -","- C276 H392 Cl8 N32 O64 P16 U4 -","4","1","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0417","0.0403","","","0.1072","0.109","","","","","","1.095","","","","has coordinates,has disorder","263741","2021-04-05","14:43:03",""
"7706617","32.05395","0.00019","13.02519","0.00005","36.6159","0.0002","90","","101.112","0.0006","90","","15000.9","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H96 N8 O16 P4 U -","- C68 H96 N8 O16 P4 U -","- C544 H768 N64 O128 P32 U8 -","8","2","","Zhang, Jianfeng; Wenzel, Marco; Schnaars, Kathleen; Hennersdorf, Felix; Schwedtmann, Kai; März, Juliane; Rossberg, André; Kaden, Peter; Kraus, Florian; Stumpf, Thorsten; Weigand, Jan J.","Coordination of trivalent lanthanum and cerium, and tetravalent cerium and actinides (An = Th(IV), U(IV), Np(IV)) by a 4-phosphoryl 1<i>H</i>-pyrazol-5-olate ligand in solution and the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3550","3558","10.1039/d1dt00365h","","x-ray","1.54184","CuKα","","0.0603","0.0596","","","0.1524","0.1529","","","","","","1.156","","","","has coordinates","263741","2021-04-05","14:43:03",""
"7706618","12.3639","0.0014","9.6186","0.0009","13.6552","0.0014","90","","106.009","0.004","90","","1560.9","0.3","150","","150","","","","","","","","synthesis as described","7","P 1 n 1","P -2yac","7","","","","- C27 H38 B4 N Nb2 O S -","- C27 H38 B4 N Nb2 O S -","- C54 H76 B8 N2 Nb4 O2 S2 -","2","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","x-ray","0.71073","MoKα","","0.0759","0.0686","","","0.18","0.1876","","","","","","1.087","","","","has coordinates","263774","2021-04-05","14:53:45",""
"7706619","7.7603","0.0018","14.896","0.004","10.661","0.002","90","","106.229","0.009","90","","1183.3","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H36 B2 O2 V2 -","- C20 H33.604 B2 O2 V2 -","- C40 H67.208 B4 O4 V4 -","2","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","","0.71073","MoKα","","0.1409","0.0786","","","0.1932","0.2385","","","","","","1.045","","","","has coordinates,has disorder","263774","2021-04-05","14:53:45",""
"7706620","8.0962","0.0008","10.3403","0.0011","19.0685","0.0019","101.994","0.003","94.204","0.003","106.275","0.004","1484.2","0.3","150","","150","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H46 B4 Nb2 Se -","- C26 H46 B4 Nb2 Se -","- C52 H92 B8 Nb4 Se2 -","2","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","x-ray","0.71073","MoKα","","0.0271","0.0233","","","0.0565","0.059","","","","","","1.011","","","","has coordinates","263774","2021-04-05","14:53:45",""
"7706621","16.1531","0.0019","8.2431","0.001","16.1868","0.0017","90","","116.994","0.003","90","","1920.5","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl3 N S2 Ta -","- C17 H19 Cl3 N S2 Ta -","- C68 H76 Cl12 N4 S8 Ta4 -","4","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","x-ray","0.71073","MoKα","","0.0292","0.0256","","","0.0579","0.0592","","","","","","1.097","","","","has coordinates","263774","2021-04-05","14:53:45",""
"7706622","10.6906","0.0002","11.8702","0.0002","14.5084","0.0003","109.764","0.003","108.139","0.003","94.319","0.004","1612.63","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H45 B4 N Nb2 S2 -","- C27 H45 B4 N Nb2 S2 -","- C54 H90 B8 N2 Nb4 S4 -","2","1","","Prakash, Rini; Haridas, Anagha; Bakthavachalam, K.; Roisnel, Thierry; Halet, Jean-François; Ghosh, Sundargopal","Chemistry of group 5 metallaboranes with heterocyclic thiol ligands: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4036","4044","10.1039/d0dt04362a","","","0.71073","MoKα","","0.0652","0.0356","","","0.075","0.0849","","","","","","1.043","","","","has coordinates","263774","2021-04-05","14:53:45",""
"7706623","13.8401","0.0003","19.2176","0.0005","19.5735","0.0005","84.129","0.002","85.038","0.002","85.211","0.002","5144.7","0.2","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H126 B3 F30 P3 -","- C106 H126 B3 F30 P3 -","- C212 H252 B6 F60 P6 -","2","1","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","1.54178","CuKα","","0.1081","0.0614","","","0.1454","0.1736","","","","","","1.012","","","","has coordinates,has disorder","263749","2021-04-05","14:45:44",""
"7706624","12.4022","0.0002","12.8441","0.0002","15.9843","0.0003","87.842","0.001","87.603","0.001","79.38","0.001","2499.25","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H6 B F15 O2 -","- C26 H6 B F15 O2 -","- C104 H24 B4 F60 O8 -","4","2","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","0.71073","MoKα","","0.0447","0.038","","","0.0929","0.0982","","","","","","1.042","","","","has coordinates,has disorder","263749","2021-04-05","14:45:45",""
"7706625","10.7803","0.0002","14.9792","0.0003","15.1373","0.0003","119.356","0.001","99.021","0.001","93.565","0.001","2076.51","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 B2 F15 O2 P -","- C39 H36 B2 F15 O2 P -","- C78 H72 B4 F30 O4 P2 -","2","1","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","1.54178","CuKα","","0.0402","0.0341","","","0.0835","0.0866","","","","","","1.064","","","","has coordinates","263749","2021-04-05","14:45:45",""
"7706626","11.4236","0.0005","18.8115","0.0009","19.758","0.0008","109.926","0.002","104.169","0.002","91.101","0.002","3845.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H68 B2 F20 O2 P2 -","- C65 H68 B2 F20 O2 P2 -","- C130 H136 B4 F40 O4 P4 -","2","1","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","0.71073","MoKα","","0.0663","0.0425","","","0.1075","0.1214","","","","","","1.027","","","","has coordinates","263749","2021-04-05","14:45:45",""
"7706627","18.1083","0.0004","19.6312","0.0004","25.0061","0.0005","90","","105.104","0.001","90","","8582.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 B2 F20 O P -","- C45 H35 B2 F20 O P -","- C360 H280 B16 F160 O8 P8 -","8","2","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","1.54178","CuKα","","0.094","0.0651","","","0.1667","0.1954","","","","","","1.02","","","","has coordinates","263749","2021-04-05","14:45:45",""
"7706628","11.4244","0.0002","12.6791","0.0002","12.879","0.0002","75.88","0.001","79.17","0.001","84.352","0.001","1774.24","0.05","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 B F10 P -","- C40 H40 B F10 P -","- C80 H80 B2 F20 P2 -","2","1","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","1.54178","CuKα","","0.0484","0.0378","","","0.0913","0.0965","","","","","","1.029","","","","has coordinates","263749","2021-04-05","14:45:45",""
"7706629","12.4179","0.0005","15.1109","0.0006","17.2639","0.0006","112.91","0.001","99.423","0.001","106.422","0.001","2721.35","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H52 B2 F20 N O P -","- C55 H52 B2 F20 N O P -","- C110 H104 B4 F40 N2 O2 P2 -","2","1","","Sun, Qiu; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Reaction of carbon oxides with an ethylene-bridged PH/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3523","3528","10.1039/d1dt00459j","","","0.71073","MoKα","","0.0737","0.0429","","","0.0974","0.1144","","","","","","1.009","","","","has coordinates,has disorder","263749","2021-04-05","14:45:45",""
"7706630","7.6342","0.0004","8.3051","0.0006","13.3598","0.001","74.533","0.006","88.995","0.005","79.331","0.005","801.81","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C14 H11 Cl Cu I2 N2 O -","- C14 H11 Cl Cu I2 N2 O -","- C28 H22 Cl2 Cu2 I4 N4 O2 -","2","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Fernandes, Alexandra R.; Raposo, Luís R; Luz, André; Baptista, Pedro V.; Bruno, Giuseppe; Scopelliti, Rosario; Fateminia, Zohreh; Micale, Nicola; Tumanov, Nikolay; Wouters, Johan; Abbasi Kajani, Abolghasem; Bordbar, Abdol-Khalegh","Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3990","4007","10.1039/d0dt03962d","","x-ray","0.71073","MoKα","","0.0568","0.0418","","","0.0751","0.0816","","","","","","1.142","","","","has coordinates","263775","2021-04-05","14:53:58",""
"7706631","14.25361","0.00014","10.15411","0.00009","21.8598","0.0002","90","","90.3364","0.0009","90","","3163.77","0.05","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Br4 Cu2 N6 O8 -","- C28 H22 Br4 Cu2 N6 O8 -","- C112 H88 Br16 Cu8 N24 O32 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Fernandes, Alexandra R.; Raposo, Luís R; Luz, André; Baptista, Pedro V.; Bruno, Giuseppe; Scopelliti, Rosario; Fateminia, Zohreh; Micale, Nicola; Tumanov, Nikolay; Wouters, Johan; Abbasi Kajani, Abolghasem; Bordbar, Abdol-Khalegh","Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3990","4007","10.1039/d0dt03962d","","x-ray","1.54184","CuKα","","0.0281","0.0272","","","0.0724","0.073","","","","","","1.101","","","","has coordinates","263775","2021-04-05","14:53:58",""
"7706632","14.1249","0.0003","10.0756","0.0003","21.5993","0.0006","90","","90.8729","0.0018","90","","3073.59","0.14","140","0.1","140","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl4 Cu2 N6 O8 -","- C28 H22 Cl4 Cu2 N6 O8 -","- C112 H88 Cl16 Cu8 N24 O32 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Fernandes, Alexandra R.; Raposo, Luís R; Luz, André; Baptista, Pedro V.; Bruno, Giuseppe; Scopelliti, Rosario; Fateminia, Zohreh; Micale, Nicola; Tumanov, Nikolay; Wouters, Johan; Abbasi Kajani, Abolghasem; Bordbar, Abdol-Khalegh","Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3990","4007","10.1039/d0dt03962d","","x-ray","1.54184","CuKα","","0.0483","0.0452","","","0.135","0.1378","","","","","","1.055","","","","has coordinates,has disorder","263775","2021-04-05","14:53:58",""
"7706633","14.3113","0.0006","10.1603","0.0012","21.679","0.004","90","","91.547","0.007","90","","3151.1","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Br2 Cl2 Cu2 N6 O8 -","- C28 H22 Br2 Cl2 Cu2 N6 O8 -","- C112 H88 Br8 Cl8 Cu8 N24 O32 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Fernandes, Alexandra R.; Raposo, Luís R; Luz, André; Baptista, Pedro V.; Bruno, Giuseppe; Scopelliti, Rosario; Fateminia, Zohreh; Micale, Nicola; Tumanov, Nikolay; Wouters, Johan; Abbasi Kajani, Abolghasem; Bordbar, Abdol-Khalegh","Copper(ii) complexes with tridentate halogen-substituted Schiff base ligands: synthesis, crystal structures and investigating the effect of halogenation, leaving groups and ligand flexibility on antiproliferative activities.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3990","4007","10.1039/d0dt03962d","","","0.71073","MoKα","","0.0953","0.0786","","","0.215","0.2335","","","","","","1.034","","","","has coordinates","263775","2021-04-05","14:53:58",""
"7706634","17.898","0.002","15.3388","0.0017","18.208","0.002","90","","90","","90","","4998.7","1","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H17 Eu N2 O10 -","- C19 H17 Eu N2 O10 -","- C152 H136 Eu8 N16 O80 -","8","1","","Zhao, Jiao-Jiao; Liu, Peng-Yu; Song, Li-Jun; Zhang, Lei; Liu, Zhi-Liang; Wang, Yan-Qin","A water stable Eu(III)-organic framework as a recyclable multi-responsive luminescent sensor for efficient detection of <i>p</i>-aminophenol in simulated urine, and Mn<sup>VII</sup> and Cr<sup>VI</sup> anions in aqueous solutions.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5236","5243","10.1039/d1dt00112d","","","0.71073","MoKα","","0.0577","0.0445","","","0.1315","0.1388","","","","","","1.085","","","","has coordinates,has disorder","264905","2021-05-05","08:42:11",""
"7706635","11.5309","0.0005","19.4727","0.0007","14.6172","0.0005","90","","106.87","0.004","90","","3140.9","0.2","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Cl N4 O3 Re S2 -","- C32 H18 Cl N4 O3 Re S2 -","- C128 H72 Cl4 N16 O12 Re4 S8 -","4","1","","Choroba, Katarzyna; Maroń, Anna; Switlicka, Anna; Szłapa-Kula, Agata; Siwy, Mariola; Grzelak, Justyna; Maćkowski, Sebastian; Pedzinski, Tomasz; Schab-Balcerzak, Ewa; Machura, Barbara","Carbazole effect on ground- and excited-state properties of rhenium(i) carbonyl complexes with extended terpy-like ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3943","3958","10.1039/d0dt04340k","","x-ray","0.71073","MoKα","","0.0347","0.0255","","","0.0554","0.0579","","","","","","1.058","","","","has coordinates","263769","2021-04-05","14:52:22",""
"7706636","22.997","0.005","6.3442","0.0013","20.881","0.006","90","","95.251","","90","","3033.7","1.3","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 B2 O6 Rh2 -","- C28 H48 B2 O6 Rh2 -","- C112 H192 B8 O24 Rh8 -","4","0.5","","Nishihara, Yasushi; Nishide, Yasuhiro; Osakada, Kohtaro","Synthesis and reactivity of boryloxorhodium complexes. Relevance to intermolecular transmetalation from boron to rhodium in Rh-catalyzed reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3610","3615","10.1039/d1dt00440a","","","0.71069","MoKα","","","0.031","","","","0.0939","","","","","","1.029","","","","has coordinates","263745","2021-04-05","14:44:34",""
"7706637","10.519","0.002","15.348","0.003","9.92","0.002","102.334","0.017","96.7914","","102.866","","1502","0.5","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H39 B O3 P Rh -","- C32 H39 B O3 P Rh -","- C64 H78 B2 O6 P2 Rh2 -","2","1","","Nishihara, Yasushi; Nishide, Yasuhiro; Osakada, Kohtaro","Synthesis and reactivity of boryloxorhodium complexes. Relevance to intermolecular transmetalation from boron to rhodium in Rh-catalyzed reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3610","3615","10.1039/d1dt00440a","","","0.71069","MoKα","","","0.0372","","","","0.1021","","","","","","1.084","","","","has coordinates","263745","2021-04-05","14:44:36",""
"7706638","10.443","0.003","22.412","0.003","14.037","0.003","90","","102.93","","90","","3202","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37.6 H36 P Rh -","- C37.6 H36 P Rh -","- C150.4 H144 P4 Rh4 -","4","1","","Nishihara, Yasushi; Nishide, Yasuhiro; Osakada, Kohtaro","Synthesis and reactivity of boryloxorhodium complexes. Relevance to intermolecular transmetalation from boron to rhodium in Rh-catalyzed reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3610","3615","10.1039/d1dt00440a","","","0.71069","MoKα","","0.0716","0.0371","","","0.0919","0.1062","","","","","","1.008","","","","has coordinates,has disorder","263745","2021-04-05","14:44:45",""
"7706639","14.1052","0.0013","14.6434","0.0015","24.98","0.002","90","","105.549","0.003","90","","4970.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H74 Fe N8 O -","- C56 H74 Fe N8 O -","- C224 H296 Fe4 N32 O4 -","4","1","","Abucayon, Erwin G.; Chu, Jia-Min; Ayala, Megan; Khade, Rahul L.; Zhang, Yong; Richter-Addo, George B","Insight into the preferential N-binding <i>versus</i> O-binding of nitrosoarenes to ferrous and ferric heme centers.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3487","3498","10.1039/d0dt03604h","","","0.71073","MoKα","","0.0802","0.0468","","","0.0929","0.1064","","","","","","1.027","","","","has coordinates,has disorder","263750","2021-04-05","14:46:08",""
"7706640","13.2553","0.0008","13.6557","0.0008","15.0672","0.0009","79.6981","0.001","77.0265","0.001","64.4348","0.0009","2387.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[OEPFe(Et2NC6H4NO]SbF6","","- C47 H60 Cl2 F6 Fe N6 O Sb -","- C47 H60 Cl2 F6 Fe N6 O Sb -","- C94 H120 Cl4 F12 Fe2 N12 O2 Sb2 -","2","1","","Abucayon, Erwin G.; Chu, Jia-Min; Ayala, Megan; Khade, Rahul L.; Zhang, Yong; Richter-Addo, George B","Insight into the preferential N-binding <i>versus</i> O-binding of nitrosoarenes to ferrous and ferric heme centers.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3487","3498","10.1039/d0dt03604h","","","0.71073","MoKα","","0.0564","0.0417","","","0.0985","0.1056","","","","","","1.005","","","","has coordinates,has disorder","263750","2021-04-05","14:46:11",""
"7706641","21.4336","0.0011","15.7973","0.0008","16.4555","0.0008","90","","97.599","0.002","90","","5522.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H46 F6 Fe N6 O Sb -","- C56 H46 F6 Fe N6 O Sb -","- C224 H184 F24 Fe4 N24 O4 Sb4 -","4","1","","Abucayon, Erwin G.; Chu, Jia-Min; Ayala, Megan; Khade, Rahul L.; Zhang, Yong; Richter-Addo, George B","Insight into the preferential N-binding <i>versus</i> O-binding of nitrosoarenes to ferrous and ferric heme centers.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3487","3498","10.1039/d0dt03604h","","","0.71073","MoKα","","0.0971","0.0636","","","0.1437","0.1637","","","","","","1.053","","","","has coordinates,has disorder","263750","2021-04-05","14:46:11",""
"7706642","23.8163","0.0003","12.2163","0.0002","18.5121","0.0002","90","","102.136","0.001","90","","5265.67","0.12","100","0.11","100","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 B9 N O2 -","- C22 H38 B9 N O2 -","- C176 H304 B72 N8 O16 -","8","2","","Jakubowski, Rafał; Pecyna, Jacek; Ali, Muhammad O.; Pietrzak, Anna; Friedli, Andrienne C.; Kaszyński, Piotr","Polar derivatives of [<i>closo</i>-1-CB<sub>9</sub>H<sub>10</sub>]<sup>-</sup> and [<i>closo</i>-1-CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> anions as high Δ<i>ε</i> additives to a nematic host: a comparison of the CH<sub>2</sub>CH<sub>2</sub> and COO linking groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3671","3681","10.1039/d1dt00211b","","","1.54184","CuKα","","0.0594","0.0456","","","0.1036","0.1329","","","","","","1.16","","","","has coordinates","263747","2021-04-05","14:45:10",""
"7706643","14.8806","0.0002","15.9923","0.0003","17.1187","0.0002","95.063","0.002","96.589","0.003","114.255","0.001","3648.22","0.11","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H37 B11 O S -","- C18 H37 B11 O S -","- C108 H222 B66 O6 S6 -","6","3","","Jakubowski, Rafał; Pecyna, Jacek; Ali, Muhammad O.; Pietrzak, Anna; Friedli, Andrienne C.; Kaszyński, Piotr","Polar derivatives of [<i>closo</i>-1-CB<sub>9</sub>H<sub>10</sub>]<sup>-</sup> and [<i>closo</i>-1-CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> anions as high Δ<i>ε</i> additives to a nematic host: a comparison of the CH<sub>2</sub>CH<sub>2</sub> and COO linking groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3671","3681","10.1039/d1dt00211b","","","1.54184","CuKα","","0.0377","0.0349","","","0.0937","0.0958","","","","","","1.05","","","","has coordinates","263747","2021-04-05","14:45:10",""
"7706644","12.0696","0.0001","10.9358","0.0001","18.2678","0.0002","90","","108.24","0.001","90","","2290.03","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H35 B9 O S -","- C18 H35 B9 O S -","- C72 H140 B36 O4 S4 -","4","1","","Jakubowski, Rafał; Pecyna, Jacek; Ali, Muhammad O.; Pietrzak, Anna; Friedli, Andrienne C.; Kaszyński, Piotr","Polar derivatives of [<i>closo</i>-1-CB<sub>9</sub>H<sub>10</sub>]<sup>-</sup> and [<i>closo</i>-1-CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> anions as high Δ<i>ε</i> additives to a nematic host: a comparison of the CH<sub>2</sub>CH<sub>2</sub> and COO linking groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3671","3681","10.1039/d1dt00211b","","","1.54184","CuKα","","0.0362","0.0344","","","0.0911","0.0924","","","","","","1.055","","","","has coordinates,has disorder","263747","2021-04-05","14:45:10",""
"7706645","11.8514","0.0002","10.6647","0.0001","21.6459","0.0003","90","","94.266","0.001","90","","2728.28","0.06","100.2","0.5","100.2","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 B11 N O2 -","- C22 H40 B11 N O2 -","- C88 H160 B44 N4 O8 -","4","1","","Jakubowski, Rafał; Pecyna, Jacek; Ali, Muhammad O.; Pietrzak, Anna; Friedli, Andrienne C.; Kaszyński, Piotr","Polar derivatives of [<i>closo</i>-1-CB<sub>9</sub>H<sub>10</sub>]<sup>-</sup> and [<i>closo</i>-1-CB<sub>11</sub>H<sub>12</sub>]<sup>-</sup> anions as high Δ<i>ε</i> additives to a nematic host: a comparison of the CH<sub>2</sub>CH<sub>2</sub> and COO linking groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3671","3681","10.1039/d1dt00211b","","","1.54184","CuKα","","0.0359","0.0336","","","0.0878","0.0898","","","","","","1.045","","","","has coordinates","263747","2021-04-05","14:45:10",""
"7706646","22.234","0.004","28.096","0.006","28.408","0.006","90","","90","","90","","17746","6","100","","100","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C57 H73 Fe3 N8 O31 P3 -","- C42 H30 Fe3 N3 O22 P3 -","- C336 H240 Fe24 N24 O176 P24 -","8","1","","Wang, Xiao-Ning; Zhao, Yumeng; Li, Jia-Luo; Pang, Jian-Dong; Wang, Qiang; Li, Bao; Zhou, Hong-Cai","Biomimetic catalysts of iron-based metal-organic frameworks with high peroxidase-mimicking activity for colorimetric biosensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3854","3861","10.1039/d0dt02504f","","","0.71073","MoKα","","0.0684","0.0648","","","0.1903","0.1961","","","","","","1.0554","","","","has coordinates","263776","2021-04-05","14:54:13",""
"7706647","13.042","0.0012","9.8661","0.001","7.3139","0.0007","90","","90","","90","","941.11","0.16","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C3 H11 B8 Cl -","- C3 H11 B8 Cl -","- C12 H44 B32 Cl4 -","4","0.5","","Bakardjiev, Mario; Holub, Josef; R°užičková, Zdeňka; R°užička, Aleš; Fanfrlík, Jindřich; Štíbr, Bohumil; McKee, Michael L.; Hnyk, Drahomír","Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: <i>Z</i>-rearrangement.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12098","12106","10.1039/d0dt04225k","","","0.71073","MoKα","","0.0498","0.0396","","","0.0968","0.1015","","","","","","1.099","","","","has coordinates,has disorder","269731","2021-10-06","15:43:02",""
"7706648","7.7723","0.0015","11.348","0.002","10.801","0.002","90","","90.105","0.009","90","","952.6","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H11 B8 Cl -","- C3 H11 B8 Cl -","- C12 H44 B32 Cl4 -","4","2","","Bakardjiev, Mario; Holub, Josef; R°užičková, Zdeňka; R°užička, Aleš; Fanfrlík, Jindřich; Štíbr, Bohumil; McKee, Michael L.; Hnyk, Drahomír","Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: <i>Z</i>-rearrangement.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12098","12106","10.1039/d0dt04225k","","","0.71073","MoKα","","0.109","0.0939","","","0.2024","0.212","","","","","","1.137","","","","has coordinates","269731","2021-10-06","15:43:02",""
"7706649","6.7042","0.0005","18.5722","0.0013","23.3487","0.0016","90","","90","","90","","2907.2","0.4","189.98","","189.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 O6 S Zn -","- C34 H24 N2 O6 S Zn -","- C136 H96 N8 O24 S4 Zn4 -","4","1","","Zhang, Xiao-Yu; Zhao, Shu-Man; Li, Ran; Xu, Zou-Hong; Wang, Min-Yan; Jiang, Yu-Fei; Chen, Kai; Zhao, Yue; Sun, Wei-Yin","A single-crystal to single-crystal transition from a 7-fold interpenetrated coordination polymer to a non-interpenetrated one by photochemical [2 + 2] polymerization and their sensing properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4408","4414","10.1039/d0dt04428h","","","1.34139","GaKα","","0.0271","0.0243","","","0.0601","0.0615","","","","","","1.038","","","","has coordinates","263792","2021-04-05","14:59:46",""
"7706650","7.3773","0.0003","16.9343","0.0007","23.134","0.0009","90","","90","","90","","2890.1","0.2","192.97","","192.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 O6 S Zn -","- C34 H24 N2 O6 S Zn -","- C136 H96 N8 O24 S4 Zn4 -","4","1","","Zhang, Xiao-Yu; Zhao, Shu-Man; Li, Ran; Xu, Zou-Hong; Wang, Min-Yan; Jiang, Yu-Fei; Chen, Kai; Zhao, Yue; Sun, Wei-Yin","A single-crystal to single-crystal transition from a 7-fold interpenetrated coordination polymer to a non-interpenetrated one by photochemical [2 + 2] polymerization and their sensing properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4408","4414","10.1039/d0dt04428h","","","1.34139","GaKα","","0.0639","0.0451","","","0.1031","0.111","","","","","","1.048","","","","has coordinates","263792","2021-04-05","14:59:47",""
"7706651","12.7035","0.0003","14.8054","0.0003","20.1007","0.0004","90","","90","","90","","3780.55","0.14","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H44 Cl2 Dy N9 O7 -","- C32 H44 Cl2 Dy N9 O7 -","- C128 H176 Cl8 Dy4 N36 O28 -","4","1","","Ali, Basharat; Li, Xiao-Lei; Gendron, Frédéric; Le Guennic, Boris; Tang, Jinkui","A new class of Dy<sup>III</sup>-SIMs associated with a guanidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5146","5153","10.1039/d1dt00260k","","x-ray","1.54178","CuKα","","0.0534","0.0443","","","0.1033","0.1093","","","","","","1.027","","","","has coordinates","264907","2021-05-05","08:42:40",""
"7706652","12.8533","0.001","14.024","0.0013","15.7182","0.0011","73.824","0.007","84.468","0.006","78.174","0.007","2661","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H60 Br Dy N12 O12 -","- C49 H60 Br Dy N12 O12 -","- C98 H120 Br2 Dy2 N24 O24 -","2","1","","Ali, Basharat; Li, Xiao-Lei; Gendron, Frédéric; Le Guennic, Boris; Tang, Jinkui","A new class of Dy<sup>III</sup>-SIMs associated with a guanidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5146","5153","10.1039/d1dt00260k","","","0.71073","MoKα","","0.1063","0.0808","","","0.1953","0.2191","","","","","","1.063","","","","has coordinates","264907","2021-05-05","08:42:40",""
"7706653","12.4294","0.0008","14.3742","0.0008","15.6336","0.001","71.734","0.003","86.782","0.003","80.052","0.003","2612.5","0.3","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H53 Dy N14 O9 S -","- C50 H53 Dy N14 O9 S -","- C100 H106 Dy2 N28 O18 S2 -","2","1","","Ali, Basharat; Li, Xiao-Lei; Gendron, Frédéric; Le Guennic, Boris; Tang, Jinkui","A new class of Dy<sup>III</sup>-SIMs associated with a guanidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5146","5153","10.1039/d1dt00260k","","x-ray","0.71073","MoKα","","0.0354","0.027","","","0.0622","0.0682","","","","","","1.152","","","","has coordinates","264907","2021-05-05","08:42:40",""
"7706654","14.1545","0.0005","15.177","0.0005","15.3737","0.0005","108.341","0.001","102.403","0.001","107.779","0.001","2803.02","0.17","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Dy N13 O12 S -","- C46 H46 Dy N13 O12 S -","- C92 H92 Dy2 N26 O24 S2 -","2","1","","Ali, Basharat; Li, Xiao-Lei; Gendron, Frédéric; Le Guennic, Boris; Tang, Jinkui","A new class of Dy<sup>III</sup>-SIMs associated with a guanidine-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5146","5153","10.1039/d1dt00260k","","x-ray","1.54178","CuKα","","0.1068","0.1029","","","0.2696","0.2765","","","","","","1.252","","","","has coordinates","264907","2021-05-05","08:42:40",""
"7706655","11.3369","0.0004","16.9218","0.0005","17.2939","0.0006","90","","97.181","0.001","90","","3291.65","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Br2 Mn N4 O2 P2 -","- C28 H38 Br2 Mn N4 O2 P2 -","- C112 H152 Br8 Mn4 N16 O8 P8 -","4","1","","Bortoluzzi, Marco; Ferraro, Valentina; Castro, Jesús","Synthesis and photoluminescence of manganese(II) naphtylphosphonic diamide complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3132","3136","10.1039/d1dt00123j","","","0.71073","MoKα","","0.0257","0.0226","","","0.0543","0.0557","","","","","","1.035","","","","has coordinates","263755","2021-04-05","14:48:22",""
"7706656","11.4408","0.0003","17.2155","0.0004","17.7567","0.0004","90","","99.684","0.001","90","","3447.51","0.14","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 I2 Mn N4 O2 P2 -","- C28 H38 I2 Mn N4 O2 P2 -","- C112 H152 I8 Mn4 N16 O8 P8 -","4","1","","Bortoluzzi, Marco; Ferraro, Valentina; Castro, Jesús","Synthesis and photoluminescence of manganese(II) naphtylphosphonic diamide complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3132","3136","10.1039/d1dt00123j","","","0.71073","MoKα","","0.0206","0.0181","","","0.0392","0.04","","","","","","1.078","","","","has coordinates","263755","2021-04-05","14:48:22",""
"7706657","10.9664","0.0003","18.1731","0.0006","16.005","0.0005","90","","90.352","0.001","90","","3189.63","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl2 Mn N4 O2 P2 -","- C28 H38 Cl2 Mn N4 O2 P2 -","- C112 H152 Cl8 Mn4 N16 O8 P8 -","4","1","","Bortoluzzi, Marco; Ferraro, Valentina; Castro, Jesús","Synthesis and photoluminescence of manganese(II) naphtylphosphonic diamide complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3132","3136","10.1039/d1dt00123j","","","0.71073","MoKα","","0.041","0.0346","","","0.0767","0.0798","","","","","","1.057","","","","has coordinates,has disorder","263755","2021-04-05","14:48:22",""
"7706658","13.6127","0.0013","13.6127","0.0013","19.6051","0.0018","90","","90","","90","","3632.9","0.6","100","2","100","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.0628","0.0543","","","0.1446","0.15","","","","","","1.09","","","","has coordinates,has disorder","263765","2021-04-05","14:50:47",""
"7706659","13.6439","0.0007","13.6439","0.0007","19.6066","0.001","90","","90","","90","","3649.9","0.3","150","2","150","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.0582","0.0504","","","0.1417","0.1474","","","","","","1.071","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706660","8.8946","0.0008","11.6045","0.0008","13.7282","0.0009","93.542","0.006","100.835","0.007","95.115","0.007","1381.71","0.19","100.01","0.14","100","2","","","","","","","","6","P 1","P 1","1","","","","- C52 H60 Cl2 N12 O10 Zn2 -","- C52 H60 Cl2 N12 O10 Zn2 -","- C52 H60 Cl2 N12 O10 Zn2 -","1","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.71073","MoKα","","0.1375","0.0673","","","0.1122","0.1392","","","","","","1.003","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706661","13.7346","0.0012","13.7346","0.0012","19.6084","0.0017","90","","90","","90","","3698.9","0.6","200","2","200","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.051","0.0426","","","0.1174","0.1226","","","","","","1.094","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706662","13.7729","0.0008","13.7729","0.0008","19.5804","0.0012","90","","90","","90","","3714.3","0.4","250","2","250","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H41 N7 O9 Zn -","- C30 H34 N6 O8 Zn -","- C120 H136 N24 O32 Zn4 -","4","1","","Deville, Claire; Jeppesen, Henrik S.; McKee, Vickie; Lock, Nina","Anion and solvent controlled growth of crystalline and amorphous zinc(ii) coordination polymers and a molecular complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3979","3989","10.1039/d0dt04190d","","","0.56086","AgKα","","0.0448","0.0376","","","0.1013","0.1054","","","","","","1.068","","","","has coordinates,has disorder","263765","2021-04-05","14:50:48",""
"7706663","34.6428","0.0011","7.5712","0.0002","10.6915","0.0002","90","","90","","90","","2804.25","0.13","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,5-bis(3-pyridylethynyl)thiophene","","- C18 H10 N2 S -","- C18 H10 N2 S -","- C144 H80 N16 S8 -","8","1","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","1.54178","CuKα","","0.0848","0.0767","","","0.1914","0.1965","","","","","","1.162","","","","has coordinates","263770","2021-04-05","14:52:37",""
"7706664","8.5686","0.0006","9.8331","0.001","11.3579","0.0008","112.478","0.008","108.622","0.006","91.091","0.007","827.02","0.14","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","8-bis(4-fluorophenyl)-2,2,6,6-tetraphenyl- 1,3,5,7,2,6,4,8-tetraoxadisiladiborocane","","- C36 H28 B2 F2 O4 Si2 -","- C36 H28 B2 F2 O4 Si2 -","- C36 H28 B2 F2 O4 Si2 -","1","0.5","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","0.71073","MoKα","","0.0714","0.0467","","","0.0941","0.1018","","","","","","1.026","","","","has coordinates","263770","2021-04-05","14:52:38",""
"7706665","8.7686","0.0003","12.6193","0.0005","15.6914","0.0007","71.173","0.004","82.544","0.003","89.851","0.003","1628.09","0.12","172.95","0.1","172.95","0.1","","","","","","","","6","P -1","-P 1","2","","4,8-bis(3,5-difluorophenyl)-2,2,6,6-tetraphenyl- 1,3,5,7,2,6,4,8-tetraoxadisiladiborocane","","- C36 H26 B2 F4 O4 Si2 -","- C36 H26 B2 F4 O4 Si2 -","- C72 H52 B4 F8 O8 Si4 -","2","1","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","0.71073","MoKα","","0.0832","0.0498","","","0.1085","0.1209","","","","","","1.048","","","","has coordinates","263770","2021-04-05","14:52:38",""
"7706666","13.8634","0.0002","13.8634","0.0002","23.734","0.0004","90","","90","","90","","4561.53","0.12","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C54 H38 B2 F2 N2 O4 S Si2 -","- C54.002 H38.002 B2 F2 N2 O4 S1.001 Si2 -","- C216.008 H152.008 B8 F8 N8 O16 S4.004 Si8 -","4","0.5","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","0.71075","MoKα","","0.0474","0.0368","","","0.0794","0.0837","","","","","","1.028","","","","has coordinates,has disorder","263770","2021-04-05","14:52:38",""
"7706667","19.6216","0.0001","19.6216","0.0001","23.8883","0.0002","90","","90","","90","","9197.17","0.1","100","2","100","2","","","","","","","","8","P 43","P 4cw","78","","","","- C54 H36 B2 F4 N2 O4 S Si2 -","- C54 H36 B2 F4 N2 O4 S Si2 -","- C432 H288 B16 F32 N16 O32 S8 Si16 -","8","2","","Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P.","First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3782","3785","10.1039/d1dt00114k","","x-ray","1.54178","CuKα","","0.033","0.0326","","","0.0879","0.0883","","","","","","1.021","","","","has coordinates,has disorder","263770","2021-04-05","14:52:38",""
"7706668","7.8481","0.0007","13.264","0.0013","18.1504","0.0014","90","","98.039","0.008","90","","1870.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl2 Cu N3 O -","- C21 H15 Cl2 Cu N3 O -","- C84 H60 Cl8 Cu4 N12 O4 -","4","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.0484","0.034","","","0.0827","0.0918","","","","","","1.012","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706669","11.6228","0.0005","13.2678","0.0004","14.803","0.0005","90","","112.375","0.004","90","","2110.89","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cl2 Cu N3 O2 S -","- C22 H17 Cl2 Cu N3 O2 S -","- C88 H68 Cl8 Cu4 N12 O8 S4 -","4","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.0363","0.0297","","","0.0772","0.0814","","","","","","1.032","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706670","9.9712","0.0004","11.3078","0.0005","17.6171","0.0006","79.386","0.003","76.853","0.003","86.68","0.003","1900.94","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H30 Cl4 Cu2 F2 N6 O -","- C42 H30 Cl4 Cu2 F2 N6 O -","- C84 H60 Cl8 Cu4 F4 N12 O2 -","2","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.0468","0.0343","","","0.082","0.0912","","","","","","1.042","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706671","7.3829","0.0008","26.31","0.002","12.513","0.003","90","","104.947","0.011","90","","2348.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl2 Cu N5 O -","- C25 H21 Cl2 Cu N5 O -","- C100 H84 Cl8 Cu4 N20 O4 -","4","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.0559","0.0404","","","0.1026","0.1104","","","","","","1.097","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706672","12.9439","0.0013","13.6561","0.0008","13.1523","0.0016","90","","118.661","0.014","90","","2040","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl2 Cu N3 O1.5 -","- C22 H18 Cl2 Cu N3 O1.5 -","- C88 H72 Cl8 Cu4 N12 O6 -","4","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.1244","0.0553","","","0.1393","0.1748","","","","","","1.015","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706673","7.8431","0.0005","11.2987","0.0013","13.8696","0.0012","71.792","0.009","87.316","0.006","73.962","0.008","1121.05","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H18 Cl2 Cu I N3 O2.5 -","- C21 H19 Cl2 Cu I N3 O2.5 -","- C42 H38 Cl4 Cu2 I2 N6 O5 -","2","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.1015","0.0497","","","0.117","0.1436","","","","","","1.003","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706674","13.922","0.003","12.541","0.002","10.8692","0.0016","90","","106.105","0.017","90","","1823.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl2 Cu N3 O -","- C21 H15 Cl2 Cu N3 O -","- C84 H60 Cl8 Cu4 N12 O4 -","4","1","","Li, Jiahe; Yan, Hao; Wang, Zhiyuan; Liu, Rongping; Luo, Baomei; Yang, Dengfeng; Chen, Hailan; Pan, Lixia; Ma, Zhen","Copper chloride complexes with substituted 4'-phenyl-terpyridine ligands: synthesis, characterization, antiproliferative activities and DNA interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8243","8257","10.1039/d0dt03989f","","","0.71073","MoKα","","0.0519","0.0368","","","0.0897","0.1014","","","","","","1.029","","","","has coordinates","267204","2021-07-05","17:46:14",""
"7706675","14.9965","0.0003","13.1054","0.0002","17.7644","0.0003","90","","109.788","0.0007","90","","3285.17","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23.81 B0.81 Br3 N4 O1.63 Zn -","- C31 H23.817 B0.817 Br3 N4 O1.634 Zn -","- C124 H95.268 B3.268 Br12 N16 O6.536 Zn4 -","4","1","","Bazany-Rodríguez, Iván J; Salomón-Flores, María K; Viviano-Posadas, Alejandro O; García-Eleno, Marco A; Barroso-Flores, Joaquín; Martínez-Otero, Diego; Dorazco-González, Alejandro","Chemosensing of neurotransmitters with selectivity and naked eye detection of l-DOPA based on fluorescent Zn(ii)-terpyridine bearing boronic acid complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4255","4269","10.1039/d0dt04228e","","","1.54178","CuKα","","0.077","0.0747","","","0.227","0.2299","","","","","","1.067","","","","has coordinates,has disorder","263787","2021-04-05","14:57:55",""
"7706676","11.8967","0.0003","13.6816","0.0003","22.4595","0.0005","90","","98.2926","0.001","90","","3617.42","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Br5 N4 O S Zn2 -","- C33 H29 Br5 N4 O S Zn2 -","- C132 H116 Br20 N16 O4 S4 Zn8 -","4","1","","Bazany-Rodríguez, Iván J; Salomón-Flores, María K; Viviano-Posadas, Alejandro O; García-Eleno, Marco A; Barroso-Flores, Joaquín; Martínez-Otero, Diego; Dorazco-González, Alejandro","Chemosensing of neurotransmitters with selectivity and naked eye detection of l-DOPA based on fluorescent Zn(ii)-terpyridine bearing boronic acid complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4255","4269","10.1039/d0dt04228e","","","1.54178","CuKα","","0.0458","0.0446","","","0.1166","0.1175","","","","","","1.048","","","","has coordinates,has disorder","263787","2021-04-05","14:57:56",""
"7706677","13.4768","0.0005","11.7786","0.0004","15.6067","0.0007","90","","103.209","0.002","90","","2411.83","0.16","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","AD14","1a","","- C32 H24 Au P -","- C32 H24 Au P -","- C128 H96 Au4 P4 -","4","1","","de Aquino, Araceli; Caparrós, Francisco J; Truong, Khai-Nghi; Rissanen, Kari; Ferrer, Montserrat; Jung, Yongsik; Choi, Hyeonho; Lima, João Carlos; Rodríguez, Laura","Gold(i)-doped films: new routes for efficient room temperature phosphorescent materials.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3806","3815","10.1039/d1dt00087j","","","0.71073","MoKα","","0.0829","0.046","","","0.0739","0.0832","","","","","","1.003","","","","has coordinates","263777","2021-04-05","14:54:24",""
"7706678","12.0049","0.0003","16.5845","0.0005","18.2031","0.0006","90","","101.556","0.002","90","","3550.69","0.18","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BOR-dppm-F","2b","","- C78 H60 Au4 P4 -","- C78 H60 Au4 P4 -","- C156 H120 Au8 P8 -","2","0.5","","de Aquino, Araceli; Caparrós, Francisco J; Truong, Khai-Nghi; Rissanen, Kari; Ferrer, Montserrat; Jung, Yongsik; Choi, Hyeonho; Lima, João Carlos; Rodríguez, Laura","Gold(i)-doped films: new routes for efficient room temperature phosphorescent materials.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3806","3815","10.1039/d1dt00087j","","","0.71073","MoKα","","0.1064","0.0627","","","0.1233","0.1367","","","","","","1.016","","","","has coordinates","263777","2021-04-05","14:54:24",""
"7706679","17.3899","0.0011","13.7705","0.0005","18.9026","0.0013","90","","91.13","0.002","90","","4525.7","0.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BOR-dppb","2c","","- C56 H46 Au2 P2 -","- C56 H46 Au2 P2 -","- C224 H184 Au8 P8 -","4","1","","de Aquino, Araceli; Caparrós, Francisco J; Truong, Khai-Nghi; Rissanen, Kari; Ferrer, Montserrat; Jung, Yongsik; Choi, Hyeonho; Lima, João Carlos; Rodríguez, Laura","Gold(i)-doped films: new routes for efficient room temperature phosphorescent materials.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3806","3815","10.1039/d1dt00087j","","","0.71073","MoKα","","0.1617","0.0721","","","0.1148","0.1331","","","","","","0.999","","","","has coordinates","263777","2021-04-05","14:54:24",""
"7706680","32.353","0.005","35.316","0.006","13.8018","0.0019","90","","90","","90","","15770","4","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C70 H54 N31 O21 Tb3 -","- C70 H54 N31 O21 Tb3 -","- C560 H432 N248 O168 Tb24 -","8","0.5","","De, Avik; Bala, Sukhen; Saha, Sayan; Das, Krishna Sundar; Akhtar, Sohel; Adhikary, Amit; Ghosh, Arijit; Huang, Guo-Zhang; Chowdhuri, Srijita Paul; Das, Benu Brata; Tong, Ming-Liang; Mondal, Raju","Lanthanide clusters of phenanthroline containing a pyridine-pyrazole based ligand: magnetism and cell imaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3593","3609","10.1039/d0dt04122j","","","0.71073","MoKα","","0.0841","0.068","","","0.1633","0.1773","","","","","","1.105","","","","has coordinates","263742","2021-04-05","14:43:22",""
"7706681","32.418","0.002","35.298","0.003","13.7654","0.0009","90","","90","","90","","15751.6","1.9","110","2","110","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C70 H54 Gd3 N31 O21 -","- C70 H54 Gd3 N31 O21 -","- C560 H432 Gd24 N248 O168 -","8","0.5","","De, Avik; Bala, Sukhen; Saha, Sayan; Das, Krishna Sundar; Akhtar, Sohel; Adhikary, Amit; Ghosh, Arijit; Huang, Guo-Zhang; Chowdhuri, Srijita Paul; Das, Benu Brata; Tong, Ming-Liang; Mondal, Raju","Lanthanide clusters of phenanthroline containing a pyridine-pyrazole based ligand: magnetism and cell imaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3593","3609","10.1039/d0dt04122j","","","0.71073","MoKα","","0.0626","0.0436","","","0.096","0.1062","","","","","","1.08","","","","has coordinates","263742","2021-04-05","14:43:23",""
"7706682","32.535","0.004","35.366","0.004","13.8372","0.0017","90","","90","","90","","15922","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C70 H54 Eu3 N31 O21 -","- C70 H54 Eu3 N31 O21 -","- C560 H432 Eu24 N248 O168 -","8","0.5","","De, Avik; Bala, Sukhen; Saha, Sayan; Das, Krishna Sundar; Akhtar, Sohel; Adhikary, Amit; Ghosh, Arijit; Huang, Guo-Zhang; Chowdhuri, Srijita Paul; Das, Benu Brata; Tong, Ming-Liang; Mondal, Raju","Lanthanide clusters of phenanthroline containing a pyridine-pyrazole based ligand: magnetism and cell imaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3593","3609","10.1039/d0dt04122j","","","0.71073","MoKα","","0.0567","0.0426","","","0.0995","0.1104","","","","","","1.004","","","","has coordinates","263742","2021-04-05","14:43:23",""
"7706683","10.267","0.003","14.425","0.004","16.581","0.004","103.042","0.003","95.552","0.004","104.782","0.002","2281.9","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cl4 P2 Ru2 -","- C50 H54 Cl4 P2 Ru2 -","- C100 H108 Cl8 P4 Ru4 -","2","1","","Suzuki, Satoshi; Toda, Tatsuro; Kuwata, Shigeki","A diazene-bridged diruthenium complex with structural restraint defined by single meta-diphosphinobenzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4789","4795","10.1039/d0dt04398b","","","0.71075","MoKα","","0.0547","0.0359","","","0.0766","0.083","","","","","","0.946","","","","has coordinates","264902","2021-05-05","08:39:52",""
"7706684","17.001","0.002","18.285","0.002","14.764","0.0018","90","","91.5563","0.0019","90","","4587.9","0.9","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 Cl2 N2 P2 Ru2 -","- C50 H56 Cl2 N2 P2 Ru2 -","- C200 H224 Cl8 N8 P8 Ru8 -","4","1","","Suzuki, Satoshi; Toda, Tatsuro; Kuwata, Shigeki","A diazene-bridged diruthenium complex with structural restraint defined by single meta-diphosphinobenzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4789","4795","10.1039/d0dt04398b","","","0.71075","MoKα","","0.0594","0.0462","","","0.111","0.1187","","","","","","1.004","","","","has coordinates","264902","2021-05-05","08:39:53",""
"7706685","12.728","0.014","35.75","0.04","12.407","0.014","90","","108.829","0.012","90","","5343","10","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H62 Cl2 N2 P2 Ru2 -","- C56 H62 Cl2 N2 P2 Ru2 -","- C224 H248 Cl8 N8 P8 Ru8 -","4","1","","Suzuki, Satoshi; Toda, Tatsuro; Kuwata, Shigeki","A diazene-bridged diruthenium complex with structural restraint defined by single meta-diphosphinobenzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4789","4795","10.1039/d0dt04398b","","","0.71075","MoKα","","0.111","0.0956","","","0.3061","0.3417","","","","","","0.966","","","","has coordinates","264902","2021-05-05","08:39:53",""
"7706686","13.093","0.0011","13.1385","0.0011","20.1689","0.0018","89.636","0.003","86.119","0.003","89.734","0.003","3461.4","0.5","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 O14 S4 Si10 -","- C60 H68 O14 S4 Si10 -","- C120 H136 O28 S8 Si20 -","2","1","","Liu, Yujia; Kigure, Mana; Okawa, Riho; Takeda, Nobuhiro; Unno, Masafumi; Ouali, Armelle","Synthesis and characterization of tetrathiol-substituted double-decker or ladder silsesquioxane nano-cores.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3473","3478","10.1039/d1dt00042j","","","0.71075","MoKα","","0.0601","0.047","","","0.13","0.1363","","","","","","1.061","","","","has coordinates","263743","2021-04-05","14:43:39",""
"7706687","16.7045","0.0004","25.3661","0.0006","17.6478","0.0003","90","","91.667","0.002","90","","7474.7","0.3","173","2","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H76 N16 Ni4 O18 -","- C66 H76 N16 Ni4 O18 -","- C264 H304 N64 Ni16 O72 -","4","1","","Su, Yan-Min; Ji, Bao-Qian; Shao, Feng; Zhang, Shan-Shan; Jagodič, Marko; Jagličić, Zvonko; Gao, Zhi-Yong; Dou, Jian-Min; Sun, Di","Carboxylic acid-tuned nickel(ii) clusters: syntheses, structures, solution behaviours and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4355","4362","10.1039/d1dt00165e","","x-ray","1.54184","CuKα","","0.1225","0.0999","","","0.27","0.2942","","","","","","1.172","","","","has coordinates,has disorder","263785","2021-04-05","14:57:32",""
"7706688","13.897","0.009","14.25","0.009","21.731","0.013","106.518","0.006","95.516","0.006","96.119","0.006","4066","4","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 N10 Ni5 O20 S6 -","- C62 H72 N10 Ni5 O20 S6 -","- C124 H144 N20 Ni10 O40 S12 -","2","1","","Su, Yan-Min; Ji, Bao-Qian; Shao, Feng; Zhang, Shan-Shan; Jagodič, Marko; Jagličić, Zvonko; Gao, Zhi-Yong; Dou, Jian-Min; Sun, Di","Carboxylic acid-tuned nickel(ii) clusters: syntheses, structures, solution behaviours and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4355","4362","10.1039/d1dt00165e","","x-ray","0.71073","MoKα","","0.191","0.0702","","","0.1634","0.2162","","","","","","0.921","","","","has coordinates,has disorder","263785","2021-04-05","14:57:32",""
"7706689","32.6272","0.0004","13.8653","0.0002","23.2676","0.0003","90","","108.76","0.001","90","","9966.7","0.2","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C90 H106 N18 Ni6 O24 -","- C90 H106 N18 Ni6 O24 -","- C360 H424 N72 Ni24 O96 -","4","0.5","","Su, Yan-Min; Ji, Bao-Qian; Shao, Feng; Zhang, Shan-Shan; Jagodič, Marko; Jagličić, Zvonko; Gao, Zhi-Yong; Dou, Jian-Min; Sun, Di","Carboxylic acid-tuned nickel(ii) clusters: syntheses, structures, solution behaviours and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4355","4362","10.1039/d1dt00165e","","x-ray","1.54184","CuKα","","0.0549","0.0438","","","0.116","0.1278","","","","","","1.056","","","","has coordinates","263785","2021-04-05","14:57:32",""
"7706690","8.4101","0.0005","8.2046","0.0006","27.754","0.0018","90","","96.051","0.002","90","","1904.4","0.2","120","2","119.83","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Fe N6 Pd S4 -","- C42 H26 Fe N6 Pd S4 -","- C84 H52 Fe2 N12 Pd2 S8 -","2","0.5","","Xie, Kai-Ping; Wu, Si-Guo; Wang, Long-Fei; Huang, Guo-Zhang; Ni, Zhao-Ping; Tong, Ming-Liang","A spin-crossover phenomenon in a 2D heterometallic coordination polymer with [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4152","4158","10.1039/d1dt00244a","","","0.71073","MoKα","","0.0815","0.0586","","","0.1042","0.1097","","","","","","1.222","","","","has coordinates","263780","2021-04-05","14:55:00",""
"7706691","8.6153","0.001","8.22","0.001","28.358","0.004","90","","97.635","0.004","90","","1990.4","0.4","298","2","298.03","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Fe N6 Pd S4 -","- C42 H26 Fe N6 Pd S4 -","- C84 H52 Fe2 N12 Pd2 S8 -","2","0.5","","Xie, Kai-Ping; Wu, Si-Guo; Wang, Long-Fei; Huang, Guo-Zhang; Ni, Zhao-Ping; Tong, Ming-Liang","A spin-crossover phenomenon in a 2D heterometallic coordination polymer with [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4152","4158","10.1039/d1dt00244a","","","0.71073","MoKα","","0.1068","0.0733","","","0.1496","0.159","","","","","","1.225","","","","has coordinates","263780","2021-04-05","14:55:00",""
"7706692","8.4109","0.0004","8.8655","0.0005","25.4574","0.0015","90","","94.051","0.002","90","","1893.53","0.18","150","2","149.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H26 Fe N6 Pd S4 -","- C42 H26 Fe N6 Pd S4 -","- C84 H52 Fe2 N12 Pd2 S8 -","2","0.5","","Xie, Kai-Ping; Wu, Si-Guo; Wang, Long-Fei; Huang, Guo-Zhang; Ni, Zhao-Ping; Tong, Ming-Liang","A spin-crossover phenomenon in a 2D heterometallic coordination polymer with [Pd(SCN)<sub>4</sub>]<sup>2-</sup> building blocks.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4152","4158","10.1039/d1dt00244a","","","0.71073","MoKα","","0.0565","0.0468","","","0.0963","0.0986","","","","","","1.296","","","","has coordinates","263780","2021-04-05","14:55:00",""
"7706693","12.0987","0.0016","12.5647","0.0017","16.133","0.002","103.864","0.004","97.365","0.004","108.33","0.004","2204.4","0.5","145","2","145","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl F2 N3 Pt -","- C23 H24 Cl F2 N3 Pt -","- C92 H96 Cl4 F8 N12 Pt4 -","4","2","","Martínez-Junquera, Mónica; Lalinde, Elena; Moreno, M. Teresa; Alfaro-Arnedo, Elvira; López, Icíar P; Larráyoz, Ignacio M; Pichel, José G","Luminescent cyclometalated platinum(ii) complexes with acyclic diaminocarbene ligands: structural, photophysical and biological properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4539","4554","10.1039/d1dt00480h","","x-ray","0.71076","MoKα","","0.0193","0.0156","","","0.0336","0.0345","","","","","","1.077","","","","has coordinates","266055","2021-06-05","18:44:58",""
"7706694","14.062","0.003","10.476","0.002","19.364","0.004","90","","104.75","0.007","90","","2758.6","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl F2 N3 O Pt -","- C30 H30 Cl F2 N3 O Pt -","- C120 H120 Cl4 F8 N12 O4 Pt4 -","4","1","","Martínez-Junquera, Mónica; Lalinde, Elena; Moreno, M. Teresa; Alfaro-Arnedo, Elvira; López, Icíar P; Larráyoz, Ignacio M; Pichel, José G","Luminescent cyclometalated platinum(ii) complexes with acyclic diaminocarbene ligands: structural, photophysical and biological properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4539","4554","10.1039/d1dt00480h","","x-ray","0.71076","MoKα","","0.0138","0.0137","","","0.0359","0.036","","","","","","1.063","","","","has coordinates","266055","2021-06-05","18:44:58",""
"7706695","11.4295","0.0002","10.489","0.0001","15.6396","0.0002","90","","104.061","0.001","90","","1818.76","0.04","100.28","0.16","100.28","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","SN-XY-100","","- C16 H26 N2 O5 Ru -","- C16 H26 N2 O5 Ru -","- C64 H104 N8 O20 Ru4 -","4","1","","Ma, Xinyuan; Guillet, Sébastien G; Peng, Min; Van Hecke, Kristof; Nolan, Steven P.","A simple synthesis of [RuCl<sub>2</sub>(NHC)(p-cymene)] complexes and their use in olefin oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3959","3965","10.1039/d1dt00030f","","x-ray","1.54184","CuKα","","0.0309","0.0248","","","0.0576","0.0605","","","","","","1.028","","","","has coordinates","263772","2021-04-05","14:53:07",""
"7706696","14.8188","0.0002","12.7986","0.0001","22.2382","0.0003","90","","102.679","0.001","90","","4114.85","0.09","100","0.1","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","XM_SG_192","","- C40 H54 Cl4 N2 O3 Ru -","- C40 H54 Cl4 N2 O3 Ru -","- C160 H216 Cl16 N8 O12 Ru4 -","4","1","","Ma, Xinyuan; Guillet, Sébastien G; Peng, Min; Van Hecke, Kristof; Nolan, Steven P.","A simple synthesis of [RuCl<sub>2</sub>(NHC)(p-cymene)] complexes and their use in olefin oxidation catalysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3959","3965","10.1039/d1dt00030f","","","1.54184","CuKα","","0.0417","0.0338","","","0.081","0.0861","","","","","","1.023","","","","has coordinates","263772","2021-04-05","14:53:11",""
"7706697","25.4756","0.0005","25.4756","0.0005","13.9849","0.0004","90","","90","","120","","7860.3","0.3","100","2","100.15","","","","","","","","","7","P -3","-P 3","147","","","","- C104 H94 Cl4 Cu8 F12 N6 P8 -","- C104 H94.0002 Cl4 Cu8 F12 N6 P8 -","- C312 H282.001 Cl12 Cu24 F36 N18 P24 -","3","0.5","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.1232","0.0769","","","0.2073","0.2367","","","","","","1.012","","","","has coordinates,has disorder","263766","2021-04-05","14:51:31",""
"7706698","13.1572","0.0002","16.6001","0.0002","34.5546","0.0005","90","","90","","90","","7547.1","0.18","99.99","0.1","99.99","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C285 H238 Cl10 Cu16 F24 N24 P20 S8 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0642","0.0557","","","0.1481","0.1595","","","","","","1.059","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706699","14.8018","0.0002","14.8018","0.0002","22.1489","0.0003","90","","90","","120","","4202.54","0.1","100","0.1","100","0.1","","","","","","","","7","R 3 :H","R 3","146","","","","- C53 H47 Br3 Cl4 Cu4 N3 P3 -","- C52.9999 H46.9996 Br3 Cl3.9999 Cu4 N3 P3 -","- C159 H140.999 Br9 Cl11.9997 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0272","0.0259","","","0.0624","0.0631","","","","","","1.055","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706700","13.7032","0.0001","26.1636","0.0002","20.0973","0.0002","90","","96.232","0.001","90","","7162.81","0.1","100","0.1","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H61 Cl6 Cu4 F6 N4 P5 -","- C70 H61 Cl6 Cu4 F6 N4 P5 -","- C280 H244 Cl24 Cu16 F24 N16 P20 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0487","0.0375","","","0.0926","0.1012","","","","","","1.046","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706701","16.4263","0.0001","12.0316","0.0001","35.2262","0.0003","90","","92.528","0.001","90","","6955.14","0.09","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H59 Cl2 Cu4 F6 I2 N4 P5 -","- C69 H59 Cl2 Cu4 F6 I2 N4 P5 -","- C276 H236 Cl8 Cu16 F24 I8 N16 P20 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0363","0.0315","","","0.0784","0.0818","","","","","","1.032","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706702","30.2978","0.0002","18.4123","0.0001","15.2062","0.0001","90","","121.042","0.001","90","","7267.98","0.11","100","0.3","100.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C70 H61 Cl4 Cu4 F6 N10 P5 -","- C70 H61 Cl4 Cu4 F6 N10 P5 -","- C280 H244 Cl16 Cu16 F24 N40 P20 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0424","0.0409","","","0.1088","0.1106","","","","","","1.019","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706703","13.1571","0.0002","16.5948","0.0002","34.5954","0.0004","90","","90","","90","","7553.54","0.17","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C285 H238 Cl10 Cu16 F24 N24 P20 S8 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0428","0.0387","","","0.1005","0.1039","","","","","","1.06","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706704","14.7989","0.0002","14.7989","0.0002","22.1361","0.0003","90","","90","","120","","4198.47","0.1","100","0.1","100","0.1","","","","","","","","7","R 3 :H","R 3","146","","","","- C53 H47 Br3 Cl4 Cu4 N3 P3 -","- C52.9999 H46.9996 Br3 Cl3.9999 Cu4 N3 P3 -","- C159 H140.999 Br9 Cl11.9997 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0309","0.0283","","","0.0653","0.0679","","","","","","1.076","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706705","14.9436","0.0008","14.9436","0.0008","22.1101","0.0011","90","","90","","120","","4275.9","0.4","203","2","203.15","","","","","","","","","6","R 3 :H","R 3","146","","","","- C53 H47 Br7 Cu4 N3 P3 -","- C52.9999 H46.9996 Br6.9996 Cu4 N3 P3 -","- C159 H140.999 Br20.9988 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","0.71073","MoKα","","0.039","0.0303","","","0.0637","0.0655","","","","","","0.927","","","","has coordinates,has disorder","263766","2021-04-05","14:51:32",""
"7706706","14.9752","0.0002","14.9752","0.0002","22.1086","0.0002","90","","90","","120","","4293.75","0.09","100","0.1","100","0.1","","","","","","","","6","R 3 :H","R 3","146","","","","- C53 H47 Br7 Cu4 N3 P3 -","- C52.9999 H46.9996 Br6.9996 Cu4 N3 P3 -","- C159 H140.999 Br20.9988 Cu12 N9 P9 -","3","0.333333","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0363","0.0347","","","0.0841","0.0851","","","","","","1.045","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706707","49.083","0.0004","37.3456","0.0003","11.7395","0.0001","90","","90","","90","","21518.9","0.3","100","0.1","100","0.1","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C52.5 H46 Cl3 Cu4 I3 N3 P3 -","- C52.5 H46 Cl3 Cu4 I3 N3 P3 -","- C840 H736 Cl48 Cu64 I48 N48 P48 -","16","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0232","0.0214","","","0.0564","0.0569","","","","","","1.051","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706708","11.122","0.0014","26.211","0.003","13.9022","0.0018","90","","108.888","0.008","90","","3834.5","0.8","240","2","240","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 B Mn N4 O2 -","- C46 H48 B Mn N4 O2 -","- C184 H192 B4 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake","Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4634","4642","10.1039/d1dt00284h","","","0.71073","MoKα","","0.209","0.0627","","","0.1084","0.1502","","","","","","0.947","","","","has coordinates","266057","2021-06-05","18:45:37",""
"7706709","14.8559","0.0009","22.7886","0.0015","14.2271","0.0009","90","","116.612","0.002","90","","4306.3","0.5","240","2","240","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C92 H80 B2 Br8 Mn2 N8 O4 -","- C92 H80 B2 Br8 Mn2 N8 O4 -","- C184 H160 B4 Br16 Mn4 N16 O8 -","2","0.5","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake","Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4634","4642","10.1039/d1dt00284h","","","0.71073","MoKα","","0.2267","0.0635","","","0.1106","0.1548","","","","","","0.963","","","","has coordinates","266057","2021-06-05","18:45:39",""
"7706710","14.4374","0.0003","22.1423","0.0004","14.4488","0.0003","90","","115.721","0.001","90","","4161.3","0.15","240","2","240","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 B Br2 Mn N4 O2 -","- C46 H39 B Br2 Mn N4 O2 -","- C184 H156 B4 Br8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake","Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4634","4642","10.1039/d1dt00284h","","","0.71073","MoKα","","0.0866","0.0455","","","0.1072","0.126","","","","","","1.019","","","","has coordinates,has disorder","266057","2021-06-05","18:45:39",""
"7706711","14.2943","0.0011","21.858","0.0017","14.4084","0.0012","90","","116.226","0.003","90","","4038.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H41 B Br2 Mn N4 O2 -","- C46 H41 B Br2 Mn N4 O2 -","- C184 H164 B4 Br8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake","Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4634","4642","10.1039/d1dt00284h","","","0.71073","MoKα","","0.2012","0.0712","","","0.1437","0.1839","","","","","","1.028","","","","has coordinates,has disorder","266057","2021-06-05","18:45:39",""
"7706712","14.317","0.0006","21.8581","0.0009","14.4597","0.0006","90","","116.332","0.002","90","","4055.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 B Br2 Mn N4 O2 -","- C46 H30 B Br2 Mn N4 O2 -","- C184 H120 B4 Br8 Mn4 N16 O8 -","4","1","","Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake","Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4634","4642","10.1039/d1dt00284h","","","0.71073","MoKα","","0.116","0.0651","","","0.1436","0.165","","","","","","1.073","","","","has coordinates,has disorder","266057","2021-06-05","18:45:39",""
"7706713","10.202","0.0011","12.6346","0.0013","19.684","0.002","82.83","0.003","85.254","0.003","71.562","0.003","2385.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H94 Fe4 Hg2 O2 P4 Pd2 -","- C122 H94 Fe4 Hg2 O2 P4 Pd2 -","- C122 H94 Fe4 Hg2 O2 P4 Pd2 -","1","0.5","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bockfeld, Dirk; Tamm, Matthias; Jäkle, Frieder","Palladium(0) complexes of diferrocenylmercury diphosphines: synthesis, X-ray structure analyses, catalytic isomerization, and C-Cl bond activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4512","4518","10.1039/d1dt00641j","","","1.54178","CuKα","","0.1167","0.0651","","","0.1507","0.173","","","","","","0.993","","","","has coordinates","266052","2021-06-05","18:44:14",""
"7706714","9.5692","0.0001","12.8337","0.0002","20.1024","0.0003","90","","91.986","0.001","90","","2467.26","0.06","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H50 Fe2 Hg O P2 Pd -","- C61 H50 Fe2 Hg O P2 Pd -","- C122 H100 Fe4 Hg2 O2 P4 Pd2 -","2","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bockfeld, Dirk; Tamm, Matthias; Jäkle, Frieder","Palladium(0) complexes of diferrocenylmercury diphosphines: synthesis, X-ray structure analyses, catalytic isomerization, and C-Cl bond activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4512","4518","10.1039/d1dt00641j","","x-ray","1.54184","CuKα","","0.0364","0.0358","","","0.1015","0.1019","","","","","","1.127","","","","has coordinates","266052","2021-06-05","18:44:14",""
"7706715","11.975","0.004","27.776","0.009","14.345","0.004","90","","105.223","0.009","90","","4604","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Cl6 Fe2 Hg P2 Pd -","- C47 H42 Cl6 Fe2 Hg P2 Pd -","- C188 H168 Cl24 Fe8 Hg4 P8 Pd4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Bockfeld, Dirk; Tamm, Matthias; Jäkle, Frieder","Palladium(0) complexes of diferrocenylmercury diphosphines: synthesis, X-ray structure analyses, catalytic isomerization, and C-Cl bond activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4512","4518","10.1039/d1dt00641j","","","1.54178","CuKα","","0.0507","0.0383","","","0.0819","0.0862","","","","","","1.016","","","","has coordinates","266052","2021-06-05","18:44:14",""
"7706716","11.1887","0.001","13.1115","0.0011","14.0303","0.0012","85.8352","0.0018","75.1186","0.0017","72.3861","0.0016","1895.9","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H56 Cl4 N16 O8 Pt2 S8 -","- C48 H56 Cl4 N16 O8 Pt2 S8 -","- C48 H56 Cl4 N16 O8 Pt2 S8 -","1","0.5","","Wang, Jianwei; Li, Xinhua; Yuan, Caixia; Su, Feng; Wu, Yan-Bo; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi","Syntheses, crystal structures, and biological evaluations of new dinuclear platinum(ii) complexes with 1,2,4-triazole derivatives as bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4527","4538","10.1039/d0dt03285a","","","0.71073","MoKα","","0.0539","0.0414","","","0.0908","0.0968","","","","","","0.982","","","","has coordinates,has disorder","266049","2021-06-05","18:43:29",""
"7706717","10.691","0.002","12.399","0.003","15.022","0.003","101.3","0.03","100.32","0.03","100.29","0.03","1873.4","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H76 Cl4 N16 O10 Pt2 S10 -","- C56 H76 Cl4 N16 O10 Pt2 S10 -","- C56 H76 Cl4 N16 O10 Pt2 S10 -","1","0.5","","Wang, Jianwei; Li, Xinhua; Yuan, Caixia; Su, Feng; Wu, Yan-Bo; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi","Syntheses, crystal structures, and biological evaluations of new dinuclear platinum(ii) complexes with 1,2,4-triazole derivatives as bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4527","4538","10.1039/d0dt03285a","","","0.72","synchrotron","","0.045","0.0413","","","0.1295","0.1323","","","","","","1.099","","","","has coordinates,has disorder","266049","2021-06-05","18:43:30",""
"7706718","15.976","0.003","9.5931","0.0014","24.265","0.004","90","","93.284","0.004","90","","3712.7","1.1","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 Cl4 N16 O8 Pt2 S8 -","- C56 H72 Cl4 N16 O8 Pt2 S8 -","- C112 H144 Cl8 N32 O16 Pt4 S16 -","2","0.5","","Wang, Jianwei; Li, Xinhua; Yuan, Caixia; Su, Feng; Wu, Yan-Bo; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi","Syntheses, crystal structures, and biological evaluations of new dinuclear platinum(ii) complexes with 1,2,4-triazole derivatives as bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4527","4538","10.1039/d0dt03285a","","","0.71073","MoKα","","0.1235","0.0575","","","0.1116","0.1351","","","","","","0.98","","","","has coordinates,has disorder","266049","2021-06-05","18:43:30",""
"7706719","15.5605","0.001","7.9626","0.0004","12.9489","0.0007","90","","108.162","0.007","90","","1524.46","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Cu I2 N2 -","- C10 H8 Br2 Cu I2 N2 -","- C40 H32 Br8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.; Twamley, Brendan","Two new canted antiferromagnetic systems: magnetic, theoretical, and crystallographic studies on trans-bis(2-iodopyridine)dihalocopper(ii).","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4167","4178","10.1039/d0dt04071a","","","0.71073","MoKα","","0.0396","0.032","","","0.0706","0.0745","","","","","","1.036","","","","has coordinates","263781","2021-04-05","14:55:10",""
"7706720","15.3782","0.0017","7.7571","0.0009","12.6701","0.0014","90","","109.536","0.005","90","","1424.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C40 H32 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.; Twamley, Brendan","Two new canted antiferromagnetic systems: magnetic, theoretical, and crystallographic studies on trans-bis(2-iodopyridine)dihalocopper(ii).","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4167","4178","10.1039/d0dt04071a","","x-ray","0.71073","MoKα","K-L~3~","0.0127","0.0117","","","0.0259","0.0262","","","","","","1.163","","","","has coordinates","263781","2021-04-05","14:55:10",""
"7706721","15.4157","0.0009","7.7608","0.0004","12.7242","0.0006","90","","108.754","0.003","90","","1441.48","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C40 H32 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.; Twamley, Brendan","Two new canted antiferromagnetic systems: magnetic, theoretical, and crystallographic studies on trans-bis(2-iodopyridine)dihalocopper(ii).","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4167","4178","10.1039/d0dt04071a","","x-ray","0.71073","MoKα","K-L~3~","0.0196","0.0164","","","0.0363","0.0376","","","","","","1.097","","","","has coordinates","263781","2021-04-05","14:55:10",""
"7706722","15.4392","0.0005","7.7706","0.0002","12.7308","0.0003","90","","108.731","0.003","90","","1446.44","0.07","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl2 Cu I2 N2 -","- C10 H8 Cl2 Cu I2 N2 -","- C40 H32 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.; Twamley, Brendan","Two new canted antiferromagnetic systems: magnetic, theoretical, and crystallographic studies on trans-bis(2-iodopyridine)dihalocopper(ii).","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4167","4178","10.1039/d0dt04071a","","","0.71073","MoKα","","0.029","0.0237","","","0.0474","0.0491","","","","","","1.033","","","","has coordinates","263781","2021-04-05","14:55:10",""
"7706723","15.5405","0.0017","7.9511","0.0009","12.9193","0.0014","90","","108.214","0.004","90","","1516.4","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Cu I2 N2 -","- C10 H8 Br2 Cu I2 N2 -","- C40 H32 Br8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.; Twamley, Brendan","Two new canted antiferromagnetic systems: magnetic, theoretical, and crystallographic studies on trans-bis(2-iodopyridine)dihalocopper(ii).","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4167","4178","10.1039/d0dt04071a","","x-ray","0.71073","MoKα","K-L~3~","0.0656","0.0353","","","0.0652","0.0756","","","","","","1.024","","","","has coordinates","263781","2021-04-05","14:55:10",""
"7706724","15.4484","0.0014","7.9306","0.0007","12.8457","0.0011","90","","108.69","0.003","90","","1490.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Br2 Cu I2 N2 -","- C10 H8 Br2 Cu I2 N2 -","- C40 H32 Br8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.; Twamley, Brendan","Two new canted antiferromagnetic systems: magnetic, theoretical, and crystallographic studies on trans-bis(2-iodopyridine)dihalocopper(ii).","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4167","4178","10.1039/d0dt04071a","","x-ray","0.71073","MoKα","K-L~3~","0.0472","0.0303","","","0.0614","0.068","","","","","","1.071","","","","has coordinates","263781","2021-04-05","14:55:10",""
"7706725","10.7854","0.0003","24.3061","0.0006","14.2062","0.0003","90","","107.63","0.001","90","","3549.25","0.15","170","2","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 F Gd N7 O12 -","- C33 H45 F Gd N7 O12 -","- C132 H180 F4 Gd4 N28 O48 -","4","1","","Kovacs, Daniel; Kocsi, Daniel; Wells, Jordann A. L.; Kiraev, Salauat R.; Borbas, K. Eszter","Electron transfer pathways in photoexcited lanthanide(iii) complexes of picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4244","4254","10.1039/d1dt00616a","","","0.71073","MoKα","","0.0287","0.0236","","","0.0582","0.0608","","","","","","1.094","","","","has coordinates,has disorder","263779","2021-04-05","14:54:51",""
"7706726","12.146","0.002","23.647","0.005","14.793","0.003","90","","113.504","0.003","90","","3896.3","1.3","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H45 Cl2 F Gd N7 O11.5 -","- C35 H45 Cl2 F Gd N7 O11.5 -","- C140 H180 Cl8 F4 Gd4 N28 O46 -","4","1","","Kovacs, Daniel; Kocsi, Daniel; Wells, Jordann A. L.; Kiraev, Salauat R.; Borbas, K. Eszter","Electron transfer pathways in photoexcited lanthanide(iii) complexes of picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4244","4254","10.1039/d1dt00616a","","","0.71073","MoKα","","0.0738","0.048","","","0.1077","0.1176","","","","","","1.06","","","","has coordinates,has disorder","263779","2021-04-05","14:54:51",""
"7706727","12.126","0.004","23.598","0.007","14.735","0.004","90","","113.684","0.005","90","","3861","2","170","2","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H37.5 Cl3 Eu N7 O11.5 -","- C33 H37.5 Cl3 Eu N7 O11.5 -","- C132 H150 Cl12 Eu4 N28 O46 -","4","1","","Kovacs, Daniel; Kocsi, Daniel; Wells, Jordann A. L.; Kiraev, Salauat R.; Borbas, K. Eszter","Electron transfer pathways in photoexcited lanthanide(iii) complexes of picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4244","4254","10.1039/d1dt00616a","","","0.71073","MoKα","","0.1134","0.0726","","","0.1315","0.1457","","","","","","1.082","","","","has coordinates,has disorder","263779","2021-04-05","14:54:51",""
"7706728","13.0772","0.0004","22.4559","0.0007","15.1582","0.0005","90","","113.661","0.002","90","","4077.2","0.2","170","","170","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33.5 Cl F6 N7 O11 Tb -","- C35 H33.5 Cl F6 N7 O11 Tb -","- C140 H134 Cl4 F24 N28 O44 Tb4 -","4","1","","Kovacs, Daniel; Kocsi, Daniel; Wells, Jordann A. L.; Kiraev, Salauat R.; Borbas, K. Eszter","Electron transfer pathways in photoexcited lanthanide(iii) complexes of picolinate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4244","4254","10.1039/d1dt00616a","","","0.71073","MoKα","","0.0855","0.0513","","","0.1083","0.1178","","","","","","1.06","","","","has coordinates,has disorder","263779","2021-04-05","14:54:51",""
"7706729","16.1871","0.0004","25.7337","0.0006","19.8582","0.0005","90","","92.578","0.002","90","","8263.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H72 Cl2 N8 O12 Ru2 -","- C96 H72 Cl2 N8 O12 Ru2 -","- C384 H288 Cl8 N32 O48 Ru8 -","4","1","","Chatterjee, Madhumita; Mondal, Sudipta; Hazari, Arijit Singha; Záliš, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar","Variable electronic structure and spin distribution in bis(2,2'-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- and 4,5-diimido-pyrene.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4191","4201","10.1039/d1dt00282a","","x-ray","0.71073","MoKα","","0.0777","0.0673","","","0.1411","0.1465","","","","","","1.225","","","","has coordinates","263788","2021-04-05","14:58:19",""
"7706730","9.756","0.0002","16.2063","0.0004","20.8243","0.0004","90","","95.821","0.002","90","","3275.52","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl2 N6 O8 Os -","- C36 H26 Cl2 N6 O8 Os -","- C144 H104 Cl8 N24 O32 Os4 -","4","1","","Chatterjee, Madhumita; Mondal, Sudipta; Hazari, Arijit Singha; Záliš, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar","Variable electronic structure and spin distribution in bis(2,2'-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- and 4,5-diimido-pyrene.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4191","4201","10.1039/d1dt00282a","","x-ray","0.71073","MoKα","","0.0426","0.0327","","","0.076","0.1039","","","","","","1.155","","","","has coordinates","263788","2021-04-05","14:58:20",""
"7706731","16.2362","0.0002","25.7702","0.0004","19.8131","0.0003","90","","92.662","0.001","90","","8281.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 Cl2 N8 O12 Os2 -","- C78 H54 Cl2 N8 O12 Os2 -","- C312 H216 Cl8 N32 O48 Os8 -","4","1","","Chatterjee, Madhumita; Mondal, Sudipta; Hazari, Arijit Singha; Záliš, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar","Variable electronic structure and spin distribution in bis(2,2'-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- and 4,5-diimido-pyrene.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4191","4201","10.1039/d1dt00282a","","x-ray","0.71073","MoKα","","0.0746","0.0669","","","0.1465","0.1496","","","","","","1.311","","","","has coordinates","263788","2021-04-05","14:58:20",""
"7706732","9.7428","0.0004","16.1774","0.0008","20.8421","0.0009","90","","96.022","0.004","90","","3266.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl2 N6 O8 Ru -","- C36 H26 Cl2 N6 O8 Ru -","- C144 H104 Cl8 N24 O32 Ru4 -","4","1","","Chatterjee, Madhumita; Mondal, Sudipta; Hazari, Arijit Singha; Záliš, Stanislav; Kaim, Wolfgang; Lahiri, Goutam Kumar","Variable electronic structure and spin distribution in bis(2,2'-bipyridine)-metal complexes (M = Ru or Os) of 4,5-dioxido- and 4,5-diimido-pyrene.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4191","4201","10.1039/d1dt00282a","","x-ray","0.71073","MoKα","","0.0688","0.0484","","","0.1087","0.1225","","","","","","1.0491","","","","has coordinates","263788","2021-04-05","14:58:20",""
"7706733","9.2827","0.0008","11.7724","0.0015","12.7181","0.0013","107.289","0.005","100.46","0.002","93.73","0.004","1294.5","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 Cl N4 O4 -","- C28 H33 Cl N4 O4 -","- C56 H66 Cl2 N8 O8 -","2","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.7107","MoKα","","0.054","0.0481","","","0.1276","0.1346","","","","","","1.04","","","","has coordinates","263783","2021-04-05","14:56:23",""
"7706734","25.4941","","19.1689","","19.1973","","90","","132.362","","90","","6932.09","","153","","153","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H78 Cl3 Mn2 N12 O15 -","- C64 H76 Cl3 Mn2 N12 O16 -","- C256 H304 Cl12 Mn8 N48 O64 -","4","0.5","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0864","0.0774","","","0.2182","0.2296","","","","","","1.098","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706735","12.3782","0.0019","17.197","0.003","25.59","0.004","90","","93.913","0.003","90","","5434.6","1.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 Cl3 Mn2 N10 O14 -","- C52 H58 Cl3 Mn2 N10 O14 -","- C208 H232 Cl12 Mn8 N40 O56 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.7107","MoKα","","0.071","0.0485","","","0.1096","0.1243","","","","","","1.092","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706736","8.601","0.004","35.692","0.018","10.382","0.005","90","","96.789","0.004","90","","3165","3","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl Mn N7 O6 -","- C30 H39 Cl Mn N7 O6 -","- C120 H156 Cl4 Mn4 N28 O24 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.7107","MoKα","","0.0601","0.0511","","","0.1257","0.1321","","","","","","1.077","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706737","12.156","0.005","12.543","0.005","14.59","0.006","104.912","0.003","109.608","0.004","106.407","0.002","1851.3","1.3","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H33 Cl2 Mn N7 O8 -","- C36 H33 Cl2 Mn N7 O8 -","- C72 H66 Cl4 Mn2 N14 O16 -","2","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0768","0.0626","","","0.1586","0.1741","","","","","","1.07","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706738","11.2594","0.0003","14.5121","0.0001","22.1759","0.0005","75.873","0.007","84.419","0.007","74.52","0.005","3384.43","0.18","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H78 Cl3 Mn2 N11 O16.5 -","- C62 H70 Cl3 Mn2 N11 O16.5 -","- C124 H140 Cl6 Mn4 N22 O33 -","2","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.7107","MoKα","","0.0784","0.0655","","","0.1831","0.1973","","","","","","1.053","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706739","18.4506","0.0018","13.8386","0.0012","24.104","0.003","90","","99.862","0.004","90","","6063.5","1.1","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Cl3 Mn2 N12 O14 -","- C56 H61 Cl3 Mn2 N12 O14 -","- C224 H244 Cl12 Mn8 N48 O56 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0926","0.0809","","","0.2073","0.2149","","","","","","1.144","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706740","14.7283","0.001","22.1188","0.0014","21.6214","0.0014","90","","101.584","0.003","90","","6900.2","0.8","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H62 Cl3 Mn2 N12 O15 -","- C68 H60 Cl3 Mn2 N12 O15 -","- C272 H240 Cl12 Mn8 N48 O60 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0817","0.0741","","","0.1958","0.2129","","","","","","1.096","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706741","9.302","0.003","12.216","0.003","24.174","0.007","90","","99.794","0.003","90","","2706.9","1.3","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H68 Cl2 Mn2 N8 O11 -","- C57 H67 Cl2 Mn2 N8 O11 -","- C114 H134 Cl4 Mn4 N16 O22 -","2","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.7107","MoKα","","0.0452","0.0423","","","0.1068","0.1103","","","","","","1.077","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706742","23.2584","0.0013","20.6984","0.0009","13.4561","0.0009","90","","98.163","0.003","90","","6412.3","0.6","153","","153","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C66 H57 Cl3 Mn2 N11 O14 -","- C66 H57 Cl3 Mn2 N11 O14 -","- C264 H228 Cl12 Mn8 N44 O56 -","4","1","","Mikata, Yuji; Kuroda, Yasuko; Naito, Kyoko; Murakami, Kana; Yamamoto, Chihiro; Yabe, Shoko; Yonemura, Shizuka; Matsumoto, Arimasa; Katano, Hajime","Structure and electrochemical properties of (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iii) and (μ-O)<sub>2</sub>Mn<sub>2</sub>(iii,iv) complexes supported by pyridine-, quinoline-, isoquinoline- and quinoxaline-based tetranitrogen ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4133","4144","10.1039/d1dt00184a","","","0.71075","MoKα","","0.0534","0.0471","","","0.1116","0.118","","","","","","1.081","","","","has coordinates","263783","2021-04-05","14:56:24",""
"7706743","9.74","0.0002","7.7909","0.0002","20.7286","0.0005","90","","97.774","0.002","90","","1558.5","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cu3 N6 S3 -","- C12 H9 Cu3 N6 S3 -","- C48 H36 Cu12 N24 S12 -","4","1","","Zhou, Rui-Sha; Zhang, Xiao-Yu; Fu, Jin; Xin, Li-Dong; Jiao, Wei-Zhou; Song, Jiang-Feng","Four new Cu<sub>6</sub>S<sub>6</sub> cluster-based coordination compounds: synthesis, crystal structures and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4567","4576","10.1039/d1dt00322d","","","0.71073","MoKα","","0.0459","0.0333","","","0.0653","0.0737","","","","","","1.033","","","","has coordinates","266053","2021-06-05","18:44:24",""
"7706744","12.5044","0.0008","17.1384","0.0011","15.242","0.001","90","","99.776","0.002","90","","3219","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Cu5 N9 S3 -","- C22 H24 Cu5 N9 S3 -","- C88 H96 Cu20 N36 S12 -","4","1","","Zhou, Rui-Sha; Zhang, Xiao-Yu; Fu, Jin; Xin, Li-Dong; Jiao, Wei-Zhou; Song, Jiang-Feng","Four new Cu<sub>6</sub>S<sub>6</sub> cluster-based coordination compounds: synthesis, crystal structures and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4567","4576","10.1039/d1dt00322d","","","0.71073","MoKα","","0.0761","0.0392","","","0.0977","0.1287","","","","","","1.124","","","","has coordinates","266053","2021-06-05","18:44:25",""
"7706745","11.1562","0.0004","19.4095","0.0007","12.6343","0.0004","90","","91.679","0.001","90","","2734.61","0.16","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cu5 N8 S3 -","- C17 H15 Cu5 N8 S3 -","- C68 H60 Cu20 N32 S12 -","4","1","","Zhou, Rui-Sha; Zhang, Xiao-Yu; Fu, Jin; Xin, Li-Dong; Jiao, Wei-Zhou; Song, Jiang-Feng","Four new Cu<sub>6</sub>S<sub>6</sub> cluster-based coordination compounds: synthesis, crystal structures and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4567","4576","10.1039/d1dt00322d","","","0.71073","MoKα","","0.0949","0.0545","","","0.1433","0.194","","","","","","1.179","","","","has coordinates","266053","2021-06-05","18:44:25",""
"7706746","11.5954","0.0004","10.7363","0.0004","19.245","0.0007","90","","106.5","0.001","90","","2297.18","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Cu4 N7 S4 -","- C16 H15 Cu4 N7 S4 -","- C64 H60 Cu16 N28 S16 -","4","1","","Zhou, Rui-Sha; Zhang, Xiao-Yu; Fu, Jin; Xin, Li-Dong; Jiao, Wei-Zhou; Song, Jiang-Feng","Four new Cu<sub>6</sub>S<sub>6</sub> cluster-based coordination compounds: synthesis, crystal structures and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4567","4576","10.1039/d1dt00322d","","","0.71073","MoKα","","0.0433","0.0295","","","0.0637","0.0677","","","","","","1.091","","","","has coordinates","266053","2021-06-05","18:44:25",""
"7706747","47.1357","0.0015","16.5185","0.0005","33.9008","0.0008","90","","92.227","0.003","90","","26375.6","1.3","150.02","0.1","150.02","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H165 Cr7 F8 N Ni O32 P -","- C100 H165 Cr7 F8 N Ni O32 P -","- C800 H1320 Cr56 F64 N8 Ni8 O256 P8 -","8","1","","Asthana, Deepak; Lockyer, Selena J.; Nawaz, Selina; Woolfson, Robert J.; Timco, Grigore A.; Muryn, Christopher A.; Vitorica-Yrezabal, Iñigo J; Collison, David; Burton, Neil A.; Winpenny, Richard E. P.","Gold(i) bridged dimeric and trimeric heterometallic {Cr<sub>7</sub>Ni}-based qubit systems and their characterization.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4390","4395","10.1039/d1dt00150g","","x-ray","0.71073","MoKα","","0.208","0.0979","","","0.2245","0.291","","","","","","1.029","","","","has coordinates,has disorder","263791","2021-04-05","14:59:31",""
"7706748","16.3361","0.0003","34.1374","0.0004","41.1846","0.0004","104.854","0.001","96.876","0.001","102.777","0.001","21267.7","0.5","100.01","0.1","100.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C302 H499 Au Cl5 Cr21 F24 N3 Ni3 O96 P3 -","- C302 H499 Au Cl5 Cr21 F24 N3 Ni3 O96 P3 -","- C604 H998 Au2 Cl10 Cr42 F48 N6 Ni6 O192 P6 -","2","1","","Asthana, Deepak; Lockyer, Selena J.; Nawaz, Selina; Woolfson, Robert J.; Timco, Grigore A.; Muryn, Christopher A.; Vitorica-Yrezabal, Iñigo J; Collison, David; Burton, Neil A.; Winpenny, Richard E. P.","Gold(i) bridged dimeric and trimeric heterometallic {Cr<sub>7</sub>Ni}-based qubit systems and their characterization.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4390","4395","10.1039/d1dt00150g","","x-ray","1.54184","CuKα","","0.1115","0.091","","","0.2417","0.2585","","","","","","1.037","","","","has coordinates,has disorder","263791","2021-04-05","14:59:31",""
"7706749","11.4551","0.0007","14.5863","0.0009","15.9271","0.0011","63.7131","0.0018","71.4309","0.0018","68.2716","0.0015","2178","0.2","133","","133","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H58 Cl N2 Ni O10 -","- C40 H58 Cl N2 Ni O10 -","- C80 H116 Cl2 N4 Ni2 O20 -","2","1","","Suzuki, Takashi; Sato, Akari; Oshita, Hiromi; Yajima, Tatsuo; Tani, Fumito; Abe, Hitoshi; Mieda-Higa, Kaoru; Yanagisawa, Sachiko; Ogura, Takashi; Shimazaki, Yuichi","Formation of Ni(II)-phenoxyl radical complexes by O<sub>2</sub>: a mechanistic insight into the reaction of Ni(II)-phenol complexes with O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5161","5170","10.1039/d1dt00105a","","","0.71075","MoKα","","0.0904","0.0623","","","0.1599","0.1806","","","","","","1.025","","","","has coordinates","266078","2021-06-05","18:52:04",""
"7706750","29.082","0.0017","9.6176","0.0005","23.3195","0.0012","90","","96.96","0.007","90","","6474.4","0.6","133","","133","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 N2 Ni O2 -","- C36 H50 N2 Ni O2 -","- C288 H400 N16 Ni8 O16 -","8","1","","Suzuki, Takashi; Sato, Akari; Oshita, Hiromi; Yajima, Tatsuo; Tani, Fumito; Abe, Hitoshi; Mieda-Higa, Kaoru; Yanagisawa, Sachiko; Ogura, Takashi; Shimazaki, Yuichi","Formation of Ni(II)-phenoxyl radical complexes by O<sub>2</sub>: a mechanistic insight into the reaction of Ni(II)-phenol complexes with O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5161","5170","10.1039/d1dt00105a","","","0.71075","MoKα","","0.1402","0.0757","","","0.1983","0.2404","","","","","","1.039","","","","has coordinates","266078","2021-06-05","18:52:05",""
"7706751","11.1065","0.0009","14.0921","0.0011","14.484","0.0013","106.612","0.008","110.723","0.008","106.927","0.008","1826.8","0.4","133","","133","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H53 Cl N2 Ni O9 -","- C35 H53 Cl N2 Ni O9 -","- C70 H106 Cl2 N4 Ni2 O18 -","2","1","","Suzuki, Takashi; Sato, Akari; Oshita, Hiromi; Yajima, Tatsuo; Tani, Fumito; Abe, Hitoshi; Mieda-Higa, Kaoru; Yanagisawa, Sachiko; Ogura, Takashi; Shimazaki, Yuichi","Formation of Ni(II)-phenoxyl radical complexes by O<sub>2</sub>: a mechanistic insight into the reaction of Ni(II)-phenol complexes with O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5161","5170","10.1039/d1dt00105a","","","0.71075","MoKα","","0.1229","0.0869","","","0.214","0.239","","","","","","1.035","","","","has coordinates","266078","2021-06-05","18:52:05",""
"7706752","11.2054","0.0014","14.0233","0.0016","14.5332","0.0015","105.82","0.007","110.39","0.008","107.239","0.007","1855.5","0.4","133","","133","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H55 Cl N3 Ni O8 -","- C36 H55 Cl N3 Ni O8 -","- C72 H110 Cl2 N6 Ni2 O16 -","2","1","","Suzuki, Takashi; Sato, Akari; Oshita, Hiromi; Yajima, Tatsuo; Tani, Fumito; Abe, Hitoshi; Mieda-Higa, Kaoru; Yanagisawa, Sachiko; Ogura, Takashi; Shimazaki, Yuichi","Formation of Ni(II)-phenoxyl radical complexes by O<sub>2</sub>: a mechanistic insight into the reaction of Ni(II)-phenol complexes with O<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5161","5170","10.1039/d1dt00105a","","","0.71075","MoKα","","0.0739","0.055","","","0.1488","0.1616","","","","","","1","","","","has coordinates","266078","2021-06-05","18:52:05",""
"7706753","10.493","0.002","12.782","0.003","13.595","0.003","65.39","0.03","68.66","0.03","80.04","0.03","1543.6","0.7","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H50 Cu2 N16 O35 P2 -","- C40 H50 Cu2 N16 O35 P2 -","- C40 H50 Cu2 N16 O35 P2 -","1","1","","Song, Wen-Jing; Su, Hao; Zhou, Pei; Zhu, Yan-Hong; Khan, Maroof Ahmad; Song, Jian-Biao; Li, Hui","Controllable synthesis of two adenosine 5'-monophosphate nucleotide coordination polymers via pH regulation: crystal structure and chirality.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4713","4719","10.1039/d1dt00133g","","","0.71073","MoKα","","0.0483","0.0423","","","0.0977","0.1014","","","","","","0.984","","","","has coordinates","266058","2021-06-05","18:45:50",""
"7706754","11.2702","0.0011","13.6834","0.0013","19.7364","0.0018","90","","90","","90","","3043.6","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cu N7 O15 P -","- C20 H26 Cu N7 O15 P -","- C80 H104 Cu4 N28 O60 P4 -","4","1","","Song, Wen-Jing; Su, Hao; Zhou, Pei; Zhu, Yan-Hong; Khan, Maroof Ahmad; Song, Jian-Biao; Li, Hui","Controllable synthesis of two adenosine 5'-monophosphate nucleotide coordination polymers via pH regulation: crystal structure and chirality.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4713","4719","10.1039/d1dt00133g","","","0.71073","MoKα","","0.0715","0.0589","","","0.1822","0.1961","","","","","","1.09","","","","has coordinates","266058","2021-06-05","18:45:51",""
"7706755","23.6019","0.0002","19.823","0.0002","29.51","0.0002","90","","95.867","0.001","90","","13734.2","0.2","100","0.1","100","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C105.39 H180 D22.77 Hf N3 O40.85 P Si3 W9 -","- C105.352 H180 D22.704 Hf N3 O40.838 P Si3 W9 -","- C421.408 H720 D90.816 Hf4 N12 O163.352 P4 Si12 W36 -","4","1","","Auvray, Thomas; Nachtigall, Olaf; Brennessel, William W.; Jones, William D.; Matson, Ellen M.","Development of sterically hindered siloxide-functionalized polyoxotungstates for the complexation of 5d-metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4300","4310","10.1039/d1dt00256b","","x-ray","1.54184","CuKα","","0.0558","0.0487","","","0.1339","0.1389","","","","","","1.075","","","","has coordinates,has disorder","263782","2021-04-05","14:55:52",""
"7706756","25.2799","0.0003","25.724","0.0003","21.8787","0.0003","90","","99.683","0.001","90","","14025","0.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C193.59 H419.17 Hf2 N6 O85.39 P2 Si6 W18 -","- C193.62 H419.238 Hf2 N6 O85.402 P2 Si6 W18 -","- C387.24 H838.476 Hf4 N12 O170.804 P4 Si12 W36 -","2","0.5","","Auvray, Thomas; Nachtigall, Olaf; Brennessel, William W.; Jones, William D.; Matson, Ellen M.","Development of sterically hindered siloxide-functionalized polyoxotungstates for the complexation of 5d-metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4300","4310","10.1039/d1dt00256b","","x-ray","1.54184","CuKα","","0.0718","0.0645","","","0.1808","0.1882","","","","","","1.041","","","","has coordinates,has disorder","263782","2021-04-05","14:55:53",""
"7706757","30.2815","0.0002","31.4764","0.0002","28.51028","0.00019","90","","90","","90","","27174.6","0.3","100","0.1","100","0.1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C108 H186 N3 O37 P Si3 W9 -","- C108 H186 N3 O37 P Si3 W9 -","- C864 H1488 N24 O296 P8 Si24 W72 -","8","2","","Auvray, Thomas; Nachtigall, Olaf; Brennessel, William W.; Jones, William D.; Matson, Ellen M.","Development of sterically hindered siloxide-functionalized polyoxotungstates for the complexation of 5d-metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4300","4310","10.1039/d1dt00256b","","x-ray","1.54184","CuKα","","0.0592","0.0536","","","0.1356","0.1402","","","","","","1.037","","","","has coordinates,has disorder","263782","2021-04-05","14:55:53",""
"7706758","7.1335","0.0003","27.4408","0.001","13.427","0.0006","90","","91.758","0.004","90","","2627.08","0.19","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 Br Mn N3 O5 -","- C30 H21 Br Mn N3 O5 -","- C120 H84 Br4 Mn4 N12 O20 -","4","1","","Yang, Jie; He, Shuanglin; Wu, Qianqian; Zhang, Ping; Chen, Lin; Huang, Fang; Li, Fei","A bio-inspired mononuclear manganese catalyst for high-rate electrochemical hydrogen production.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4783","4788","10.1039/d1dt00672j","","x-ray","1.54184","CuKα","","0.103","0.0825","","","0.2187","0.2433","","","","","","1.062","","","","has coordinates","266069","2021-06-05","18:48:52",""
"7706759","10.311","0.002","12.371","0.003","14.638","0.003","88.89","0.03","88.16","0.03","67.68","0.03","1726.3","0.7","113.15","","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu N2 O6 -","- C34 H30 Cu N2 O6 -","- C68 H60 Cu2 N4 O12 -","2","1","","Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie","A new 2D Cu-MOF constructed from carboxylate ligands containing C-Hπ interactions as a recyclable responsive luminescent sensor for VOCs.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4124","4128","10.1039/d0dt04363j","","","0.71073","MoKα","","0.1097","0.0933","","","0.251","0.2671","","","","","","1.079","","","","has coordinates,has disorder","263784","2021-04-05","14:56:34",""
"7706760","23.369","0.005","7.7632","0.0016","17.15","0.003","90","","90.52","0.03","90","","3111.2","1.1","113","2","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N2 O6 -","- C38 H36 N2 O6 -","- C152 H144 N8 O24 -","4","0.5","","Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie","A new 2D Cu-MOF constructed from carboxylate ligands containing C-Hπ interactions as a recyclable responsive luminescent sensor for VOCs.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4124","4128","10.1039/d0dt04363j","","","0.71073","MoKα","","0.0927","0.063","","","0.1336","0.1499","","","","","","1.087","","","","has coordinates,has disorder","263784","2021-04-05","14:56:34",""
"7706761","7.8374","0.0002","9.6744","0.0002","11.2666","0.0003","90","","105.647","0.003","90","","822.6","0.04","293","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[MoOCl2(SeMe2)2(Cl)2]","","- C4 H12 Cl6 Mo2 O2 Se2 -","- C4 H12 Cl6 Mo2 O2 Se2 -","- C8 H24 Cl12 Mo4 O4 Se4 -","2","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0194","0.0167","","","0.0348","0.0354","","","","","","1.035","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706762","7.8111","0.0001","9.5063","0.0001","11.2487","0.0002","90","","105.172","0.001","90","","806.15","0.02","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[MoOCl2(SMe)2)(Cl)2]","","- C4 H12 Cl6 Mo2 O2 S2 -","- C4 H12 Cl6 Mo2 O2 S2 -","- C8 H24 Cl12 Mo4 O4 S4 -","2","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0122","0.0119","","","0.0276","0.0277","","","","","","1.208","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706763","12.2795","0.0002","12.7576","0.0003","7.6118","0.0002","90","","90","","90","","1192.44","0.05","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","[MoOCl3(MeS(CH3)2SMe)]","","- C5 H12 Cl3 Mo O S2 -","- C5 H12 Cl3 Mo O S2 -","- C20 H48 Cl12 Mo4 O4 S8 -","4","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0357","0.029","","","0.058","0.0605","","","","","","1.074","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706764","12.4629","0.0002","13.7526","0.0002","17.5032","0.0006","90","","90","","90","","3000","0.12","112","17","112","17","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[MoOCl3(PrS(CH2)2SPr)]","","- C8 H18 Cl3 Mo O S2 -","- C8 H18 Cl3 Mo O S2 -","- C64 H144 Cl24 Mo8 O8 S16 -","8","1","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.06","0.0461","","","0.1002","0.1074","","","","","","1.073","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706765","12.261","0.0002","12.7705","0.0002","7.6085","0.0001","90","","90","","90","","1191.33","0.03","99.98","0.18","99.98","0.18","","","","","","","","6","P n m a","-P 2ac 2n","62","","[MoOCl3(MeS(CH2)3SMe)]","","- C5 H12 Cl3 Mo O S2 -","- C5 H12 Cl3 Mo O S2 -","- C20 H48 Cl12 Mo4 O4 S8 -","4","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0194","0.0187","","","0.0424","0.0428","","","","","","1.106","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706766","7.45509","0.00005","12.18741","0.00007","12.53334","0.00008","90","","96.6596","0.0006","90","","1131.07","0.012","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[MoOCl3(MeSe(CH2)2SeMe)]","","- C4 H10 Cl3 Mo O Se2 -","- C4 H10 Cl3 Mo O Se2 -","- C16 H40 Cl12 Mo4 O4 Se8 -","4","1","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0209","0.0198","","","0.0462","0.0466","","","","","","1.162","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706767","14.84971","0.00013","12.54652","0.00011","13.80599","0.00013","90","","90","","90","","2572.22","0.04","293","2","100","","","","","","","","","6","C m c 21","C 2c -2","36","","[MoOCl(dmpe)2)(O)(MoOCl4)","","- C12 H32 Cl5 Mo2 O2 P4 -","- C12 H32 Cl5 Mo2 O2 P4 -","- C48 H128 Cl20 Mo8 O8 P16 -","4","0.5","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0095","0.0095","","","0.0245","0.0245","","","","","","1.103","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706768","7.3716","0.0001","29.8674","0.0006","12.4489","0.0002","90","","93.989","0.002","90","","2734.24","0.08","293","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","MoOCl3(dmpe)","","- C6 H16 Cl3 Mo O P2 -","- C6 H16 Cl3 Mo O P2 -","- C48 H128 Cl24 Mo8 O8 P16 -","8","2","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.0486","0.0417","","","0.1072","0.1117","","","","","","1.029","","","","has coordinates","263786","2021-04-05","14:57:45",""
"7706769","19.6139","0.0002","6.8064","0.0001","12.9677","0.0002","90","","96.16","0.001","90","","1721.19","0.04","293","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[MoOCl3(PhS(CH2)2SPh)]","","- C14 H14 Cl3 Mo O S2 -","- C14 H14 Cl3 Mo O S2 -","- C56 H56 Cl12 Mo4 O4 S8 -","4","1","","Smith, Danielle E.; Levason, William; Powell, James; Reid, Gillian","Synthesis, properties and structural features of molybdenum(v) oxide trichloride complexes with neutral chalcogenoether ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4380","4389","10.1039/d1dt00038a","","x-ray","0.71073","MoKα","","0.058","0.0542","","","0.1241","0.125","","","","","","1.437","","","","has coordinates,has disorder","263786","2021-04-05","14:57:45",""
"7706770","18.942","0.004","9.1182","0.0019","27.324","0.006","90","","99.136","0.003","90","","4659.4","1.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Mn N6 Ni2 O10 S2 -","- C42 H52 Mn N6 Ni2 O10 S2 -","- C168 H208 Mn4 N24 Ni8 O40 S8 -","4","0.5","","Maity, Souvik; Mahapatra, Prithwish; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Synthesis of Ni(II)-Mn(II) complexes using a new mononuclear Ni(II) complex of an N2O3 donor unsymmetrical ligand: structures, magnetic properties and catalytic oxidase activity","Dalton Transactions","2021","","","","","10.1039/D0DT04337K","","","0.71073","MoKα","","0.0639","0.0465","","","0.1202","0.1307","","","","","","1.028","","","","has coordinates","262733","2021-03-05","03:50:24",""
"7706771","29.9985","0.001","35.3057","0.0012","9.0129","0.0003","90","","90","","90","","9545.7","0.6","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C44 H52 Mn N10 Ni2 O10 -","- C44 H52 Mn N10 Ni2 O10 -","- C352 H416 Mn8 N80 Ni16 O80 -","8","0.5","","Maity, Souvik; Mahapatra, Prithwish; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Synthesis of Ni(II)-Mn(II) complexes using a new mononuclear Ni(II) complex of an N2O3 donor unsymmetrical ligand: structures, magnetic properties and catalytic oxidase activity","Dalton Transactions","2021","","","","","10.1039/D0DT04337K","","","0.71073","MoKα","","0.0297","0.0262","","","0.0707","0.0801","","","","","","1.117","","","","has coordinates","262733","2021-03-05","03:51:43",""
"7706772","10.4335","0.0009","17.4093","0.0015","12.3375","0.001","90","","90.68","0.005","90","","2240.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Mn2 N16 Ni2 O8 -","- C38 H44 Mn2 N16 Ni2 O8 -","- C76 H88 Mn4 N32 Ni4 O16 -","2","0.5","","Maity, Souvik; Mahapatra, Prithwish; Ghosh, Tanmoy Kumar; Gomila, Rosa Maria; Frontera, Antonio; Ghosh, Ashutosh","Synthesis of Ni(II)-Mn(II) complexes using a new mononuclear Ni(II) complex of an N2O3 donor unsymmetrical ligand: structures, magnetic properties and catalytic oxidase activity","Dalton Transactions","2021","","","","","10.1039/D0DT04337K","","","0.71073","MoKα","","0.0627","0.0453","","","0.1191","0.1282","","","","","","1.1","","","","has coordinates","262733","2021-03-05","03:51:47",""
"7706773","12.0347","0.0002","28.3198","0.0004","24.5367","0.0003","90","","103.237","0.001","90","","8140.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H108 N4 O10 Ti2 -","- C82 H108 N4 O10 Ti2 -","- C328 H432 N16 O40 Ti8 -","4","1","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","1.54184","CuKα","","0.126","0.1169","","","0.3558","0.3681","","","","","","1.675","","","","has coordinates,has disorder","263793","2021-04-05","15:00:22",""
"7706774","16.1213","0.0002","22.813","0.0002","17.0185","0.0002","90","","102.381","0.001","90","","6113.42","0.12","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H59 F14 N3 O6 Ti4 -","- C54 H59 F14 N3 O6 Ti4 -","- C216 H236 F56 N12 O24 Ti16 -","4","1","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","1.54178","CuKα","","0.0705","0.0637","","","0.1701","0.1784","","","","","","1.017","","","","has coordinates","263793","2021-04-05","15:00:22",""
"7706775","28.1243","0.0007","17.7721","0.0004","31.2326","0.0009","90","","113.009","0.003","90","","14369","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C136 H164 O19 Ti4 -","- C136 H164 O19 Ti4 -","- C544 H656 O76 Ti16 -","4","0.5","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","1.54178","CuKα","","0.1277","0.0848","","","0.2076","0.2337","","","","","","1.024","","","","has coordinates,has disorder","263793","2021-04-05","15:00:22",""
"7706776","8.8857","0.0004","13.0733","0.0005","18.4231","0.0011","84.872","0.004","82.208","0.004","73.277","0.004","2027.83","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 F10 N4 O4 Si Ti2 -","- C40 H46 F10 N4 O4 Si Ti2 -","- C80 H92 F20 N8 O8 Si2 Ti4 -","2","1","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","0.71075","MoKα","","0.1332","0.105","","","0.2732","0.2964","","","","","","1.026","","","","has coordinates,has disorder","263793","2021-04-05","15:00:22",""
"7706777","12.8059","0.0009","14.7294","0.0009","18.6847","0.0013","111.546","0.005","94.299","0.006","96.876","0.005","3227.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 Br4 N4 O9 Ti2 -","- C56 H66 Br4 N4 O9 Ti2 -","- C112 H132 Br8 N8 O18 Ti4 -","2","1","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","0.71073","MoKα","","0.0765","0.0458","","","0.0995","0.1066","","","","","","0.859","","","","has coordinates","263793","2021-04-05","15:00:22",""
"7706778","12.67497","0.00008","14.54109","0.00008","18.76966","0.0001","111.98","0.0005","95.8292","0.0005","96.158","0.0005","3151.55","0.03","100","0.1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 Cl4 N4 O9 Ti2 -","- C56 H66 Cl4 N4 O9 Ti2 -","- C112 H132 Cl8 N8 O18 Ti4 -","2","1","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","1.54178","CuKα","","0.0321","0.0312","","","0.091","0.0915","","","","","","1.05","","","","has coordinates","263793","2021-04-05","15:00:22",""
"7706779","17.7979","0.0002","18.1314","0.0001","18.4582","0.0002","71.11","0.001","74.116","0.001","66.857","0.001","5108.21","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H171 Br24 N25 O12 Ti8 -","- C146 H171 Br24 N25 O12 Ti8 -","- C146 H171 Br24 N25 O12 Ti8 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Chen, Kai; Redshaw, Carl","Titanium complexes bearing oxa- and azacalix[4, 6]arenes: structural studies and use in the ring opening homo-/co-polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4396","4407","10.1039/d1dt00189b","","","1.54178","CuKα","","0.0712","0.066","","","0.1848","0.1896","","","","","","1.023","","","","has coordinates","263793","2021-04-05","15:00:22",""
"7706780","26.658","0.008","26.658","0.008","20.81","0.009","90","","90","","120","","12807","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H22 Co N5 O6.5 -","- C27 H16 Co N4 O6 -","- C486 H288 Co18 N72 O108 -","18","1","","Yang, Ming-Xing; Chen, Li-Juan; Ye, Yan-Zhu; Lin, Xing-Ye; Lin, Shen","Four 3D Co(ii) MOFs based on 2,4,6-tris(4-pyridyl)-1,3,5-triazine and polycarboxylic acid ligands and their derivatives as efficient electrocatalysts for oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4904","4913","10.1039/d1dt00005e","","","0.71073","MoKα","","0.0443","0.0419","","","0.1134","0.1155","","","","","","1.024","","","","has coordinates","266070","2021-06-05","18:49:06",""
"7706781","29.174","0.01","13.803","0.004","13.38","0.004","90","","112.762","0.005","90","","4968","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 Co N7 O5 -","- C27 H19 Co N7 O4 -","- C216 H152 Co8 N56 O32 -","8","1","","Yang, Ming-Xing; Chen, Li-Juan; Ye, Yan-Zhu; Lin, Xing-Ye; Lin, Shen","Four 3D Co(ii) MOFs based on 2,4,6-tris(4-pyridyl)-1,3,5-triazine and polycarboxylic acid ligands and their derivatives as efficient electrocatalysts for oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4904","4913","10.1039/d1dt00005e","","","0.71073","MoKα","","0.0507","0.0465","","","0.1327","0.1376","","","","","","0.913","","","","has coordinates","266070","2021-06-05","18:49:06",""
"7706782","13.85","0.003","13.682","0.003","26.863","0.007","90","","97.757","0.004","90","","5044","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H84 Cl2 Co4 N28 O17 -","- C102 H84 Cl2 Co4 N28 O17 -","- C204 H168 Cl4 Co8 N56 O34 -","2","0.5","","Yang, Ming-Xing; Chen, Li-Juan; Ye, Yan-Zhu; Lin, Xing-Ye; Lin, Shen","Four 3D Co(ii) MOFs based on 2,4,6-tris(4-pyridyl)-1,3,5-triazine and polycarboxylic acid ligands and their derivatives as efficient electrocatalysts for oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4904","4913","10.1039/d1dt00005e","","","0.71073","MoKα","","0.0662","0.0594","","","0.1678","0.1734","","","","","","1.085","","","","has coordinates","266070","2021-06-05","18:49:06",""
"7706783","7.565","0.003","29.76","0.01","17.084","0.006","90","","101.521","0.004","90","","3769","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Co3 N6 O18 -","- C36 H24 Co3 N6 O15 -","- C144 H96 Co12 N24 O60 -","4","1","","Yang, Ming-Xing; Chen, Li-Juan; Ye, Yan-Zhu; Lin, Xing-Ye; Lin, Shen","Four 3D Co(ii) MOFs based on 2,4,6-tris(4-pyridyl)-1,3,5-triazine and polycarboxylic acid ligands and their derivatives as efficient electrocatalysts for oxygen reduction reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4904","4913","10.1039/d1dt00005e","","","0.71073","MoKα","","0.048","0.0397","","","0.0989","0.1035","","","","","","1.005","","","","has coordinates","266070","2021-06-05","18:49:06",""
"7706784","18.7538","0.0015","17.9377","0.0014","23.5541","0.0017","90","","90","","90","","7923.6","1.1","100","1","100","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H37 Au Br2 Cl2 Fe P2 -","- C42 H37 Au Br2 Cl2 Fe P2 -","- C336 H296 Au8 Br16 Cl16 Fe8 P16 -","8","1","","Rousselle, Benjamin; Bouyer, Florence; Bayardon, Jérôme; Laly, Myriam; Ghiringhelli, François; Rousselin, Yoann; Bodio, Ewen; Malacea-Kabbara, Raluca","Development of a novel highly anti-proliferative family of gold complexes: Au(i)-phosphonium-phosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4880","4889","10.1039/d0dt03708g","","x-ray","0.71073","MoKα","","0.0408","0.0291","","","0.0576","0.0609","","","","","","1.066","","","","has coordinates","266072","2021-06-05","18:50:16",""
"7706785","25.312","0.002","9.6184","0.0007","13.5131","0.0009","90","","90","","90","","3289.9","0.4","110","0.1","110","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H29 Au Br0.83 Cl3.17 P2 -","- C33 H29 Au Br0.828 Cl3.172 P2 -","- C132 H116 Au4 Br3.312 Cl12.688 P8 -","4","1","","Rousselle, Benjamin; Bouyer, Florence; Bayardon, Jérôme; Laly, Myriam; Ghiringhelli, François; Rousselin, Yoann; Bodio, Ewen; Malacea-Kabbara, Raluca","Development of a novel highly anti-proliferative family of gold complexes: Au(i)-phosphonium-phosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4880","4889","10.1039/d0dt03708g","","x-ray","0.71073","MoKα~1~","K-L~3~","0.1258","0.0644","","","0.1227","0.1461","","","","","","0.986","","","","has coordinates,has disorder","266072","2021-06-05","18:50:22",""
"7706786","12.011","0.003","14.728","0.003","13.307","0.003","90","","97.28","0.02","90","","2335","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 N2 O4 V -","- C25 H33 N2 O4 V -","- C100 H132 N8 O16 V4 -","4","1","","Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta","Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5184","5196","10.1039/d0dt04302h","","","0.71073","MoKα","","0.0548","0.0394","","","0.0871","0.0939","","","","","","1.021","","","","has coordinates","266075","2021-06-05","18:51:28",""
"7706787","13.237","0.003","15.65","0.004","25.711","0.007","90","","99.83","0.03","90","","5248","2","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.5 H37.75 N2.25 O4 V -","- C27.5 H37.75 N2.25 O4 V -","- C220 H302 N18 O32 V8 -","8","2","","Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta","Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5184","5196","10.1039/d0dt04302h","","","0.71073","MoKα","","0.0892","0.0513","","","0.1127","0.1195","","","","","","1.004","","","","has coordinates,has disorder","266075","2021-06-05","18:51:29",""
"7706788","13.376","0.005","11.01","0.003","15.427","0.006","90","","113","0.04","90","","2091.3","1.4","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O3 V -","- C22 H30 N2 O3 V -","- C88 H120 N8 O12 V4 -","4","1","","Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta","Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5184","5196","10.1039/d0dt04302h","","","0.71073","MoKα","","0.0549","0.0478","","","0.1382","0.143","","","","","","1.093","","","","has coordinates","266075","2021-06-05","18:51:29",""
"7706789","13.687","0.004","11.336","0.005","13.947","0.004","90","","94.91","0.03","90","","2156","1.3","125","2","125","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H58 N6 O6 V2 -","- C44 H58 N6 O6 V2 -","- C88 H116 N12 O12 V4 -","2","0.5","","Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta","Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5184","5196","10.1039/d0dt04302h","","","0.71073","MoKα","","0.0969","0.0568","","","0.0978","0.1124","","","","","","1.032","","","","has coordinates","266075","2021-06-05","18:51:29",""
"7706790","13.557","0.004","11.269","0.003","13.829","0.005","90","","94.93","0.03","90","","2104.9","1.1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Cl4 N6 O6 V2 -","- C40 H46 Cl4 N6 O6 V2 -","- C80 H92 Cl8 N12 O12 V4 -","2","0.5","","Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta","Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5184","5196","10.1039/d0dt04302h","","","0.71073","MoKα","","0.0712","0.0462","","","0.094","0.1071","","","","","","1.026","","","","has coordinates","266075","2021-06-05","18:51:29",""
"7706791","20.3","0.009","8.107","0.002","22.043","0.01","90","","112.25","0.05","90","","3358","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H108 N4 O6 V2 -","- C68 H108 N4 O6 V2 -","- C136 H216 N8 O12 V4 -","2","0.5","","Janas, Zofia; Jezierska, Julia; Ozarowski, Andrew; Bieńko, Alina; Lis, Tadeusz; Jezierski, Adam; Krawczyk, Marta","Investigation of vanadium(III) and vanadium(IV) compounds supported by the linear diaminebis(phenolate) ligands: correlation between structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5184","5196","10.1039/d0dt04302h","","","0.71073","MoKα","","0.1247","0.0732","","","0.1636","0.1961","","","","","","1.031","","","","has coordinates,has disorder","266075","2021-06-05","18:51:29",""
"7706792","7.718","0.007","6.562","0.006","6.318","0.006","90","","90","","90","","320","0.5","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Ag1.5 Cu1.5 P S4 -","- Ag1.5 Cu1.5 P S4 -","- Ag3 Cu3 P2 S8 -","2","0.5","","Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4129","4132","10.1039/d1dt00366f","","","0.71073","MoKα","","0.0411","0.0375","","","0.0729","0.0744","","","","","","1.1","","","","has coordinates","263789","2021-04-05","14:58:39",""
"7706793","7.6383","0.0013","6.8528","0.0011","6.4976","0.0011","90","","90","","90","","340.11","0.1","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ag3 P S4 -","- Ag3 P S4 -","- Ag6 P2 S8 -","2","0.5","","Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4129","4132","10.1039/d1dt00366f","","","0.71073","MoKα","","0.0298","0.026","","","0.043","0.0441","","","","","","1.099","","","","has coordinates","263789","2021-04-05","14:58:39",""
"7706794","7.2789","0.0016","6.3341","0.0014","6.0828","0.0014","90","","90","","90","","280.45","0.11","293","2","293","2","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Cu3 P S4 -","- Cu3 P S4 -","- Cu6 P2 S8 -","2","0.5","","Yang, Ya; Zhang, Bingbing; Wu, Xiaowen; Wu, Kui","A series of M<sub>3</sub>PS<sub>4</sub> (M = Ag, Cu and Ag/Cu) thiophosphates with diamond-like structures exhibiting large second harmonic generation responses and moderate ion conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4129","4132","10.1039/d1dt00366f","","","0.71073","MoKα","","0.0147","0.0144","","","0.0347","0.0349","","","","","","0.954","","","","has coordinates","263789","2021-04-05","14:58:39",""
"7706795","9.8241","0.0004","13.1611","0.0005","18.4228","0.0006","96.354","0.002","97.197","0.002","103.994","0.001","2268.37","0.15","200","2","199.99","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H45 B Cu F4 N3 O P2 -","- C49 H45 B Cu F4 N3 O P2 -","- C98 H90 B2 Cu2 F8 N6 O2 P4 -","2","1","","Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Bright bluish-green emitting Cu(I) complexes exhibiting efficient thermally activated delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5171","5176","10.1039/d0dt04424e","","","0.71073","MoKα","","0.0452","0.041","","","0.1118","0.1151","","","","","","1.053","","","","has coordinates","264904","2021-05-05","08:42:02",""
"7706796","10.1047","0.0004","13.4469","0.0005","20.9832","0.0008","89.808","0.001","77.186","0.001","69.217","0.001","2590.33","0.17","200","2","200","","","","","","","","","8","P -1","-P 1","2","","","","- C55 H51 B Cu F4 N3 O P2 -","- C55 H51 B Cu F4 N3 O P2 -","- C110 H102 B2 Cu2 F8 N6 O2 P4 -","2","1","","Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Bright bluish-green emitting Cu(I) complexes exhibiting efficient thermally activated delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5171","5176","10.1039/d0dt04424e","","","0.71073","MoKα","","0.0554","0.0509","","","0.1484","0.1524","","","","","","1.065","","","","has coordinates","264904","2021-05-05","08:42:02",""
"7706797","9.6727","0.0004","16.603","0.0005","14.007","0.0006","90","","97.695","0.001","90","","2229.21","0.15","200","2","200.02","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H41 B Cu F4 N3 O P2 -","- C51 H41 B Cu F4 N3 O P2 -","- C102 H82 B2 Cu2 F8 N6 O2 P4 -","2","1","","Huang, Chun-Hua; Yang, Mingxue; Chen, Xu-Lin; Lu, Can-Zhong","Bright bluish-green emitting Cu(I) complexes exhibiting efficient thermally activated delayed fluorescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5171","5176","10.1039/d0dt04424e","","","0.71073","MoKα","","0.0466","0.0393","","","0.0876","0.0936","","","","","","1.047","","","","has coordinates","264904","2021-05-05","08:42:02",""
"7706798","14.8217","0.0007","15.0778","0.0004","17.2355","0.0007","90","","114.805","0.005","90","","3496.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl4 N4 Ni2 O7 -","- C28 H40 Cl4 N4 Ni2 O7 -","- C112 H160 Cl16 N16 Ni8 O28 -","4","1","","Kundu, Bidyut Kumar; Pragti, ?; Biswas, Soumen; Mondal, Abhijit; Mazumdar, Shyamalava; Mobin, Shaikh M.; Mukhopadhyay, Suman","Unveiling the urease like intrinsic catalytic activities of two dinuclear nickel complexes towards the in situ syntheses of aminocyanopyridines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4848","4858","10.1039/d1dt00108f","","","0.71073","MoKα","","0.0863","0.0805","","","0.2118","0.2223","","","","","","1.071","","","","has coordinates","266061","2021-06-05","18:46:53",""
"7706799","20.3918","0.0005","16.7003","0.0004","10.5988","0.0002","90","","102.542","0.002","90","","3523.28","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 N4 Ni2 O7 -","- C32 H52 N4 Ni2 O7 -","- C128 H208 N16 Ni8 O28 -","4","0.5","","Kundu, Bidyut Kumar; Pragti, ?; Biswas, Soumen; Mondal, Abhijit; Mazumdar, Shyamalava; Mobin, Shaikh M.; Mukhopadhyay, Suman","Unveiling the urease like intrinsic catalytic activities of two dinuclear nickel complexes towards the in situ syntheses of aminocyanopyridines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4848","4858","10.1039/d1dt00108f","","","0.71073","MoKα","","0.0627","0.0456","","","0.1188","0.1328","","","","","","1.059","","","","has coordinates","266061","2021-06-05","18:46:54",""
"7706800","8.3572","0.0009","13.626","0.0015","9.7363","0.001","90","","100.369","0.002","90","","1090.6","0.2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Au Cl3 N2 O -","- C21 H24 Au Cl3 N2 O -","- C42 H48 Au2 Cl6 N4 O2 -","2","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0238","0.0222","","","0.0458","0.0463","","","","","","0.774","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706801","8.4305","0.0002","14.1308","0.0004","9.2329","0.0002","90","","115.901","0.001","90","","989.43","0.04","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H24 Au Cl N2 O -","- C20 H24 Au Cl N2 O -","- C40 H48 Au2 Cl2 N4 O2 -","2","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0267","0.0233","","","0.0469","0.048","","","","","","0.932","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706802","15.7581","0.0017","15.7581","0.0017","15.4225","0.0016","90","","90","","120","","3316.6","0.6","150","2","150","2","","","","","","","","6","P 65","P 65","170","","","","- C17 H26 Au Cl3 N2 O -","- C17 H26 Au Cl3 N2 O -","- C102 H156 Au6 Cl18 N12 O6 -","6","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0388","0.0314","","","0.0633","0.0656","","","","","","0.939","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706803","8.3792","0.0005","15.8615","0.001","8.5517","0.0005","90","","109.741","0.001","90","","1069.78","0.11","180","","180","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H48 Au2 Cl6 N4 O2 -","- C40 H48 Au2 Cl6 N4 O2 -","- C40 H48 Au2 Cl6 N4 O2 -","1","0.5","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","","0.71073","MoKα","","0.0382","0.032","","","0.0771","0.0798","","","","","","1.049","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706804","20.526","0.012","8.886","0.005","11.161","0.007","90","","94.89","0.009","90","","2028","2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H24 Au Cl N2 O -","- C21 H24 Au Cl N2 O -","- C84 H96 Au4 Cl4 N8 O4 -","4","1","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","x-ray","0.71073","MoKα","","0.0625","0.0436","","","0.0828","0.0886","","","","","","0.858","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706805","8.2937","0.0011","9.0157","0.0012","13.7482","0.0018","73.077","0.002","75.363","0.002","64.382","0.002","877.2","0.2","170","","170","","","","","","","","","6","P 1","P 1","1","","","","- C18 H20 Au Cl N2 O -","- C18 H20 Au Cl N2 O -","- C36 H40 Au2 Cl2 N4 O2 -","2","2","","Jónsson, Helgi Freyr; Orthaber, Andreas; Fiksdahl, Anne","Studies on gold(I) and gold(III) alcohol functionalised NHC complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5128","5138","10.1039/d1dt00387a","","","0.71073","MoKα","","0.0445","0.0382","","","0.0895","0.0929","","","","","","0.965","","","","has coordinates","266082","2021-06-05","18:52:56",""
"7706806","19.55","0.004","8.951","0.0018","14.051","0.003","90","","98.1","0.03","90","","2434.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 N4 O22 Zn3 -","- C52 H42 N4 O22 Zn3 -","- C104 H84 N8 O44 Zn6 -","2","0.5","","Han, Mei-Rong; Dong, Wen-Xia; Feng, Si-Si; Lu, Li-Ping; Li, Zhong-Ping","An ultra-sensitive selective fluorescent sensor based on a 3D zinc-tetracarboxylic framework for the detection and enrichment of trace Cu<sup>2+</sup> in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4944","4951","10.1039/d0dt04370b","","","0.72","synchrotron","","0.035","0.0284","","","0.0749","0.0777","","","","","","1.001","","","","has coordinates","266073","2021-06-05","18:50:29",""
"7706807","19.0046","0.0014","18.4257","0.0012","12.0392","0.0008","90","","99.42","0.005","90","","4159","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N O Sn -","- C47 H65 N O Sn -","- C188 H260 N4 O4 Sn4 -","4","1","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.1157","0.0669","","","0.1145","0.1287","","","","","","1.258","","","","has coordinates,has disorder","266060","2021-06-05","18:46:41",""
"7706808","19.0155","0.0007","18.4067","0.0007","12.1142","0.0004","90","","99.691","0.002","90","","4179.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 N O Pb -","- C47 H65 N O Pb -","- C188 H260 N4 O4 Pb4 -","4","1","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.0829","0.0693","","","0.1587","0.1628","","","","","","1.295","","","","has coordinates,has disorder","266060","2021-06-05","18:46:43",""
"7706809","15.3777","0.0003","24.2581","0.0004","18.4918","0.0003","90","","91.983","0.001","90","","6893.9","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C73 H100 S2 Sn2 -","- C73 H100 S2 Sn2 -","- C292 H400 S8 Sn8 -","4","2","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0718","0.0759","","","","","","0.979","","","","has coordinates,has disorder","266060","2021-06-05","18:46:43",""
"7706810","10.6529","0.0003","14.1442","0.0004","15.6309","0.0004","108.623","0.001","94.426","0.002","112.008","0.001","2016.66","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H64 N2 Pb -","- C43 H64 N2 Pb -","- C86 H128 N4 Pb2 -","2","1","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.039","0.0291","","","0.0644","0.0673","","","","","","1.087","","","","has coordinates,has disorder","266060","2021-06-05","18:46:43",""
"7706811","22.3552","0.0004","16.2894","0.0003","19.6949","0.0004","90","","96.362","0.001","90","","7127.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C79 H114 O2 Sn2 -","- C79 H114 O2 Sn2 -","- C316 H456 O8 Sn8 -","4","0.5","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.0795","0.0546","","","0.1334","0.1436","","","","","","1.029","","","","has coordinates,has disorder","266060","2021-06-05","18:46:43",""
"7706812","13.0631","0.0008","20.0701","0.0012","17.0055","0.0011","90","","97.061","0.003","90","","4424.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H72 N2 Sn -","- C49 H72 N2 Sn -","- C196 H288 N8 Sn4 -","4","1","","Weiß, Sebastian; Widemann, Max; Eichele, Klaus; Schubert, Hartmut; Wesemann, Lars","Low valent lead and tin hydrides in reactions with heteroallenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4952","4958","10.1039/d1dt00542a","","","0.71073","MoKα","","0.0278","0.0239","","","0.0585","0.0608","","","","","","1.019","","","","has coordinates","266060","2021-06-05","18:46:43",""
"7706813","17.7904","0.0013","9.2811","0.0007","24.12","0.0017","90","","93.89","0.004","90","","3973.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H2 Cl18 K2 O14 U -","- C12 H2 Cl17.997 K2 O14 U -","- C48 H8 Cl71.988 K8 O56 U4 -","4","1","","Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4210","4218","10.1039/d0dt04083e","","","0.71073","MoKα","","0.0785","0.0614","","","0.1226","0.1281","","","","","","1.251","","","","has coordinates,has disorder","263794","2021-04-05","15:00:41",""
"7706814","14.2936","0.0005","22.6214","0.0007","15.2106","0.0006","90","","98.918","0.002","90","","4858.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 Cl21 O19 Rb4 U -","- C14 H7 Cl21 O19 Rb4 U -","- C56 H28 Cl84 O76 Rb16 U4 -","4","1","","Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4210","4218","10.1039/d0dt04083e","","","0.71073","MoKα","","0.0572","0.0332","","","0.0621","0.0681","","","","","","1.022","","","","has coordinates","263794","2021-04-05","15:00:41",""
"7706815","14.3935","0.0004","22.7638","0.0007","14.9382","0.0004","90","","97.291","0.001","90","","4854.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H7 Cl21 K4 Np O19 -","- C14 H7 Cl21 K4 Np O19 -","- C56 H28 Cl84 K16 Np4 O76 -","4","1","","Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4210","4218","10.1039/d0dt04083e","","","0.71073","MoKα","","0.0882","0.0506","","","0.1181","0.1383","","","","","","1.032","","","","has coordinates,has disorder","263794","2021-04-05","15:00:41",""
"7706816","13.7304","0.0004","13.8612","0.0004","24.7926","0.0007","90","","90","","90","","4718.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl21 Cs3 O17 U -","- C14 H4 Cl21 Cs3 O17 U -","- C56 H16 Cl84 Cs12 O68 U4 -","4","1","","Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4210","4218","10.1039/d0dt04083e","","","0.71073","MoKα","","0.0522","0.0358","","","0.0567","0.0608","","","","","","1.018","","","","has coordinates","263794","2021-04-05","15:00:41",""
"7706817","8.80821","0.00015","10.91184","0.00019","11.1489","0.0002","90","","105.48","0.0018","90","","1032.69","0.03","128","5","128","5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 Fe N2 O2 -","- C24 H26 Fe N2 O2 -","- C48 H52 Fe2 N4 O4 -","2","1","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.0363","0.0353","","","0.0923","0.0933","","","","","","1.041","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706818","8.9319","0.0002","11.0143","0.0003","24.0525","0.0007","90","","90","","90","","2366.25","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Fe N3 O2 -","- C26 H31 Fe N3 O2 -","- C104 H124 Fe4 N12 O8 -","4","1","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.0635","0.0466","","","0.1008","0.1124","","","","","","1.079","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706819","27.994","0.002","11.1776","0.0014","24.045","0.003","90","","96.914","0.01","90","","7469.1","1.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H42 Fe N4 O4 -","- C38 H42 Fe N4 O4 -","- C304 H336 Fe8 N32 O32 -","8","2","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.1037","0.0541","","","0.1079","0.1325","","","","","","0.996","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706820","27.846","0.002","11.1554","0.0006","23.762","0.002","90","","97.506","0.007","90","","7318","0.9","114","12","114","12","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C38 H42 Fe N4 O4 -","- C38 H42 Fe N4 O4 -","- C304 H336 Fe8 N32 O32 -","8","2","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.1421","0.0698","","","0.1259","0.1562","","","","","","0.994","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706821","11.53","0.02","14.72","0.02","15.378","0.019","113.93","0.02","103.87","0.06","102.08","0.05","2174","6","114","2","114.15","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H95 Gd2 N4 Ni6 O38 -","- C65 H79 Gd2 N4 Ni6 O30 -","- C65 H79 Gd2 N4 Ni6 O30 -","1","0.5","","Bhanja, Avik; Smythe, Lucy; Herchel, Radovan; Nemec, Ivan; Murrie, Mark; Ray, Debashis","Hydroxido supported and differently networked octanuclear Ni<sub>6</sub>Ln<sub>2</sub> [Ln = Gd<sup>III</sup> and Dy<sup>III</sup>] complexes: structural variation, magnetic properties and theoretical insights.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5023","5035","10.1039/d0dt04168h","","","0.71073","MoKα","","0.0966","0.0516","","","0.1154","0.1445","","","","","","1.038","","","","has coordinates,has disorder","266064","2021-06-05","18:47:40",""
"7706822","27.705","0.006","13.771","0.003","23.455","0.005","90","","115.55","0.03","90","","8074","4","112.15","","112.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63.2 H82.4 Cl5.2 Dy2 N4 Ni5.6 O26 -","- C63.2 H74.4 Cl5.2 Dy2 N4 Ni5.6 O22 -","- C252.8 H297.6 Cl20.8 Dy8 N16 Ni22.4 O88 -","4","0.5","","Bhanja, Avik; Smythe, Lucy; Herchel, Radovan; Nemec, Ivan; Murrie, Mark; Ray, Debashis","Hydroxido supported and differently networked octanuclear Ni<sub>6</sub>Ln<sub>2</sub> [Ln = Gd<sup>III</sup> and Dy<sup>III</sup>] complexes: structural variation, magnetic properties and theoretical insights.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5023","5035","10.1039/d0dt04168h","","","0.71073","MoKα","","0.0634","0.0482","","","0.1178","0.1257","","","","","","1.045","","","","has coordinates,has disorder","266064","2021-06-05","18:47:41",""
"7706823","17.5673","0.0008","5.513","0.0003","18.5133","0.0009","90","","93.7639","0.0008","90","","1789.12","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N P -","- C23 H20 N P -","- C92 H80 N4 P4 -","4","1","","Blann, Kevin; Bollmann, Annette; Brown, Gavin M.; Dixon, John T.; Elsegood, Mark R. J.; Raw, Christopher R.; Smith, Martin B.; Tenza, Kenny; Willemse, J. Alexander; Zweni, Pumza","Ethylene oligomerisation chromium catalysts with unsymmetrical PCNP ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4345","4354","10.1039/d1dt00287b","","","0.71073","MoKα","","0.0467","0.0359","","","0.0875","0.0959","","","","","","1.031","","","","has coordinates","263778","2021-04-05","14:54:39",""
"7706824","22.7979","0.0008","17.5266","0.0006","16.9095","0.0006","90","","96.9792","0.0005","90","","6706.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H29 Cr N O4 P2 -","- C39 H29 Cr N O4 P2 -","- C312 H232 Cr8 N8 O32 P16 -","8","2","","Blann, Kevin; Bollmann, Annette; Brown, Gavin M.; Dixon, John T.; Elsegood, Mark R. J.; Raw, Christopher R.; Smith, Martin B.; Tenza, Kenny; Willemse, J. Alexander; Zweni, Pumza","Ethylene oligomerisation chromium catalysts with unsymmetrical PCNP ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4345","4354","10.1039/d1dt00287b","","","0.71073","MoKα","","0.0664","0.0405","","","0.0944","0.1064","","","","","","1.016","","","","has coordinates","263778","2021-04-05","14:54:39",""
"7706825","12.1106","0.0004","19.6906","0.0006","13.9703","0.0004","90","","101.038","0.0004","90","","3269.8","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 Cr N O4 P2 -","- C38 H27 Cr N O4 P2 -","- C152 H108 Cr4 N4 O16 P8 -","4","1","","Blann, Kevin; Bollmann, Annette; Brown, Gavin M.; Dixon, John T.; Elsegood, Mark R. J.; Raw, Christopher R.; Smith, Martin B.; Tenza, Kenny; Willemse, J. Alexander; Zweni, Pumza","Ethylene oligomerisation chromium catalysts with unsymmetrical PCNP ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4345","4354","10.1039/d1dt00287b","","","0.71073","MoKα","","0.0366","0.0306","","","0.0829","0.0871","","","","","","1.036","","","","has coordinates","263778","2021-04-05","14:54:39",""
"7706826","9.7908","0.0003","17.7337","0.0006","21.6935","0.0007","90","","99.3296","0.0005","90","","3716.8","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Cl2 Cr N O4 P2 -","- C41 H33 Cl2 Cr N O4 P2 -","- C164 H132 Cl8 Cr4 N4 O16 P8 -","4","1","","Blann, Kevin; Bollmann, Annette; Brown, Gavin M.; Dixon, John T.; Elsegood, Mark R. J.; Raw, Christopher R.; Smith, Martin B.; Tenza, Kenny; Willemse, J. Alexander; Zweni, Pumza","Ethylene oligomerisation chromium catalysts with unsymmetrical PCNP ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4345","4354","10.1039/d1dt00287b","","","0.71073","MoKα","","0.0391","0.032","","","0.0833","0.0876","","","","","","1.045","","","","has coordinates,has disorder","263778","2021-04-05","14:54:39",""
"7706827","10.7411","0.0007","11.4789","0.0007","13.3274","0.0008","80.267","0.001","77.596","0.001","88.492","0.001","1581.67","0.17","185","2","184.65","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H80 Cl4 Co2 Li2 N4 O2 -","- C64 H80 Cl4 Co2 Li2 N4 O2 -","- C64 H80 Cl4 Co2 Li2 N4 O2 -","1","0.5","","Chen, Xue-Meng; Huang, Li-Cheng; Gao, Wei","One-pot synthesis of cobalt complexes with 2,6-bis(arylimino)phenoxyl/phenthioxyl ligands and catalysis on isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5218","5225","10.1039/d1dt00371b","","","0.71073","MoKα","","0.0493","0.0422","","","0.1158","0.1212","","","","","","1.039","","","","has coordinates","264906","2021-05-05","08:42:26",""
"7706828","14.2116","0.0007","15.6053","0.0008","18.077","0.001","90","","111.56","0.002","90","","3728.5","0.3","180","2","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Cl2 Co N2 O -","- C39 H48 Cl2 Co N2 O -","- C156 H192 Cl8 Co4 N8 O4 -","4","1","","Chen, Xue-Meng; Huang, Li-Cheng; Gao, Wei","One-pot synthesis of cobalt complexes with 2,6-bis(arylimino)phenoxyl/phenthioxyl ligands and catalysis on isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5218","5225","10.1039/d1dt00371b","","","0.71073","MoKα","","0.0989","0.0758","","","0.2046","0.2346","","","","","","1.021","","","","has coordinates","264906","2021-05-05","08:42:27",""
"7706829","16.092","0.005","17.586","0.005","19.569","0.006","90","","108.843","0.004","90","","5241","3","185","2","184.65","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H70 Cl4 Co2 Li N2 O5 -","- C48 H70 Cl4 Co2 Li N2 O5 -","- C192 H280 Cl16 Co8 Li4 N8 O20 -","4","1","","Chen, Xue-Meng; Huang, Li-Cheng; Gao, Wei","One-pot synthesis of cobalt complexes with 2,6-bis(arylimino)phenoxyl/phenthioxyl ligands and catalysis on isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5218","5225","10.1039/d1dt00371b","","","0.71073","MoKα","","0.1078","0.0758","","","0.2082","0.2338","","","","","","1.048","","","","has coordinates","264906","2021-05-05","08:42:27",""
"7706830","18.5708","0.001","23.5866","0.0012","20.4402","0.0011","90","","108.703","0.001","90","","8480.5","0.8","184.65","","184.65","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H78 Cl8 Co4 Li2 N4 O6 -","- C64 H78 Cl8 Co4 Li2 N4 O6 -","- C256 H312 Cl32 Co16 Li8 N16 O24 -","4","1","","Chen, Xue-Meng; Huang, Li-Cheng; Gao, Wei","One-pot synthesis of cobalt complexes with 2,6-bis(arylimino)phenoxyl/phenthioxyl ligands and catalysis on isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5218","5225","10.1039/d1dt00371b","","","0.71073","MoKα","","0.1145","0.0686","","","0.1887","0.2183","","","","","","0.978","","","","has coordinates","264906","2021-05-05","08:42:27",""
"7706831","19.882","0.003","8.0889","0.0007","20.09","0.002","90","","108.912","0.014","90","","3056.5","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H33.06 Co Dy N8 O13 -","- C20 H33.06 Co Dy N8 O13 -","- C80 H132.24 Co4 Dy4 N32 O52 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Photochromism and photomagnetism in three cyano-bridged 3d-4f heterobimetallic viologen frameworks.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4959","4966","10.1039/d0dt04358c","","x-ray","0.71073","MoKα","","0.1035","0.0555","","","0.1064","0.1207","","","","","","0.976","","","","has coordinates,has disorder","266071","2021-06-05","18:49:18",""
"7706832","19.8318","0.0008","8.1069","0.0002","20.1876","0.0007","90","","108.793","0.004","90","","3072.62","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co Eu N8 O11 -","- C20 H24 Co Eu N8 O10 -","- C80 H96 Co4 Eu4 N32 O40 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Photochromism and photomagnetism in three cyano-bridged 3d-4f heterobimetallic viologen frameworks.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4959","4966","10.1039/d0dt04358c","","x-ray","0.71073","MoKα","","0.0357","0.0326","","","0.0961","0.0982","","","","","","1.106","","","","has coordinates","266071","2021-06-05","18:49:18",""
"7706833","19.8318","0.0008","8.1069","0.0002","20.1876","0.0007","90","","108.793","0.004","90","","3072.62","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21.4 H36.2 Co Eu N8 O13 -","- C21.4 H36.2 Co Eu N8 O13 -","- C85.6 H144.8 Co4 Eu4 N32 O52 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Photochromism and photomagnetism in three cyano-bridged 3d-4f heterobimetallic viologen frameworks.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4959","4966","10.1039/d0dt04358c","","x-ray","0.71073","MoKα","","0.0379","0.031","","","0.0828","0.0946","","","","","","1.163","","","","has coordinates,has disorder","266071","2021-06-05","18:49:18",""
"7706834","19.8265","0.0012","8.1126","0.0004","20.1853","0.0009","90","","108.862","0.006","90","","3072.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H29.57 Co Eu N8 O12 -","- C21 H29.56 Co Eu N8 O12 -","- C84 H118.24 Co4 Eu4 N32 O48 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Photochromism and photomagnetism in three cyano-bridged 3d-4f heterobimetallic viologen frameworks.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4959","4966","10.1039/d0dt04358c","","x-ray","0.71073","MoKα","","0.0729","0.0562","","","0.1234","0.1386","","","","","","1.088","","","","has coordinates,has disorder","266071","2021-06-05","18:49:18",""
"7706835","42.5764","0.0012","42.5764","0.0012","13.1174","0.0005","90","","90","","120","","20592.8","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H85 Cu7 O12 P6 S12 -","- C36 H85 Cu7 O12 P6 S12 -","- C432 H1020 Cu84 O144 P72 S144 -","12","0.666667","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; McGlinchey, Michael J.; Saillard, Jean-Yves; Liu, C. W.","Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4727","4734","10.1039/d1dt00072a","","","0.71073","MoKα","","0.0474","0.0379","","","0.0905","0.0971","","","","","","1.022","","","","has coordinates,has disorder","266051","2021-06-05","18:44:01",""
"7706836","13.3391","0.0006","36.3109","0.0014","21.051","0.0009","90","","93.3921","0.0013","90","","10178.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H255 Ag2 Cu19 O36 P18 S36 -","- C108 H255 Ag2 Cu19 O36 P18 S36 -","- C216 H510 Ag4 Cu38 O72 P36 S72 -","2","0.5","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; McGlinchey, Michael J.; Saillard, Jean-Yves; Liu, C. W.","Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4727","4734","10.1039/d1dt00072a","","","0.71073","MoKα","","0.0872","0.0721","","","0.1845","0.1971","","","","","","1.028","","","","has coordinates","266051","2021-06-05","18:44:01",""
"7706837","12.5584","0.0006","13.4971","0.0006","13.5892","0.0007","110.46","0.001","105.816","0.001","109.945","0.001","1816.87","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H85 Ag6 Cu O12 P6 Se12 -","- C36 H85 Ag5.9998 Cu1.0002 O12 P6 Se12 -","- C36 H85 Ag5.9998 Cu1.0002 O12 P6 Se12 -","1","0.5","","Zhong, Yu-Jie; Liao, Jian-Hong; Chiu, Tzu-Hao; Wu, Ying-Yann; Kahlal, Samia; McGlinchey, Michael J.; Saillard, Jean-Yves; Liu, C. W.","Intercluster exchanges leading to hydride-centered bimetallic clusters: a multi-NMR, X-ray crystallographic, and DFT study.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4727","4734","10.1039/d1dt00072a","","","0.71073","MoKα","","0.0487","0.0347","","","0.0701","0.0759","","","","","","1.024","","","","has coordinates,has disorder","266051","2021-06-05","18:44:01",""
"7706838","9.2427","0.0013","11.0807","0.0015","24.563","0.003","86.803","0.002","88.788","0.002","74.75","0.002","2423.2","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H52 K N6 O9 S2 Yb -","- C48 H52 K N6 O9 S2 Yb -","- C96 H104 K2 N12 O18 S4 Yb2 -","2","1","","Kovalenko, Anton D.; Pavlov, Alexander A.; Ustinovich, Ilya D.; Kalyakina, Alena S.; Goloveshkin, Alexander S.; Marciniak, Łukasz; Lepnev, Leonid S.; Burlov, Anatolii S.; Schepers, Ute; Bräse, Stefan; Utochnikova, Valentina V.","Highly NIR-emitting ytterbium complexes containing 2-(tosylaminobenzylidene)-N-benzoylhydrazone anions: structure in solution and use for bioimaging.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3786","3791","10.1039/d0dt03913f","","","0.71073","MoKα","","0.0647","0.0429","","","0.074","0.0832","","","","","","0.996","","","","has coordinates","263768","2021-04-05","14:52:11",""
"7706839","10.13653","0.0001","25.9159","0.0002","15.63851","0.00015","90","","101.045","0.0009","90","","4032.1","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H84 N18 Ni3 O24 -","- C54 H42 N12 Ni3 O18 -","- C108 H84 N24 Ni6 O36 -","2","0.5","","Qian, Bin-Bin; Song, Peng-Chao; Nie, Hong-Xiang; Zhang, Bo; Zheng, Jin-Yu; Yu, Mei-Hui; Chang, Ze","Two porous Ni-MOFs based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine showing solvent determined structures and distinctive sorption properties toward CO<sub>2</sub> and alkanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5244","5250","10.1039/d1dt00136a","","","1.54184","CuKα","","0.044","0.041","","","0.1222","0.1242","","","","","","1.081","","","","has coordinates","266077","2021-06-05","18:51:51",""
"7706840","27.123","0.0002","27.123","0.0002","38.1727","0.0003","90","","90","","120","","24319.7","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C37.42 H38 N6 Ni3 O20 -","- C30.92 H21 N4 Ni3 O17 -","- C556.56 H378 N72 Ni54 O306 -","18","0.5","","Qian, Bin-Bin; Song, Peng-Chao; Nie, Hong-Xiang; Zhang, Bo; Zheng, Jin-Yu; Yu, Mei-Hui; Chang, Ze","Two porous Ni-MOFs based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine showing solvent determined structures and distinctive sorption properties toward CO<sub>2</sub> and alkanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5244","5250","10.1039/d1dt00136a","","x-ray","1.54184","CuKα","","0.0577","0.0561","","","0.1578","0.1591","","","","","","1.055","","","","has coordinates","266077","2021-06-05","18:51:52",""
"7706841","22.7224","0.0011","27.2567","0.0013","28.5054","0.0014","90","","103.334","0.003","90","","17178.5","1.5","170","2","170","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C140 H252 N44 O48 U4 -","- C84 H108 N24 O32 U4 -","- C336 H432 N96 O128 U16 -","4","1","","Zeng, Li-Wen; Hu, Kong-Qiu; Huang, Zhi-Wei; Mei, Lei; Kong, Xiang-He; Liu, Kang; Zhang, Xiao-Lin; Zhang, Zhi-Hui; Chai, Zhi-Fang; Shi, Wei-Qun","Controlling the secondary assembly of porous anionic uranyl-organic polyhedra through organic cationic templates.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4499","4503","10.1039/d1dt00289a","","","1.54178","CuKα","","0.0536","0.0482","","","0.1249","0.1281","","","","","","1.048","","","","has coordinates","266050","2021-06-05","18:43:44",""
"7706842","18.1058","0.0004","18.1058","0.0004","27.619","0.0006","90","","90","","90","","9054.1","0.3","170","2","170","","","","","","","","","5","I -4","I -4","82","","","","- C118 H184 N34 O38 U4 -","- C118 H184 N34 O38 U4 -","- C236 H368 N68 O76 U8 -","2","0.25","","Zeng, Li-Wen; Hu, Kong-Qiu; Huang, Zhi-Wei; Mei, Lei; Kong, Xiang-He; Liu, Kang; Zhang, Xiao-Lin; Zhang, Zhi-Hui; Chai, Zhi-Fang; Shi, Wei-Qun","Controlling the secondary assembly of porous anionic uranyl-organic polyhedra through organic cationic templates.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4499","4503","10.1039/d1dt00289a","","","1.54178","CuKα","","0.0392","0.0383","","","0.0995","0.1004","","","","","","0.995","","","","has coordinates,has disorder","266050","2021-06-05","18:43:44",""
"7706843","13.065","0.004","15.691","0.005","16.493","0.005","90","","90","","90","","3381.1","1.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H18 I N21 Pb2 -","- C30 H18 I N21 Pb2 -","- C120 H72 I4 N84 Pb8 -","4","0.5","","Liu, Xing; Zhang, Ting-Ting; Zhou, Jian; Xiang, Bin; Liu, Jiang-Tao","A novel 3-D lead-iodide polymer based on the linkage of rare binuclear [Pb<sub>2</sub>I]<sup>3+</sup> cations and anionic bis(pyrazinyl)-trizole bridges.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4486","4489","10.1039/d1dt00471a","","","0.71073","MoKα","","0.0639","0.0378","","","0.0759","0.0856","","","","","","1.086","","","","has coordinates","264901","2021-05-05","08:39:28",""
"7706844","17.898","0.003","24.235","0.005","16.184","0.004","90","","105.24","0.019","90","","6773","3","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H83 Eu2 O14 -","- C66 H83 Eu2 O14 -","- C264 H332 Eu8 O56 -","4","1","","Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.","Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4874","4879","10.1039/d1dt00393c","","","0.71073","MoKα","","0.1473","0.064","","","0.107","0.1267","","","","","","0.906","","","","has coordinates","266067","2021-06-05","18:48:24",""
"7706845","13.4348","0.0006","17.2117","0.0008","17.8147","0.0007","101.358","0.003","108.77","0.004","112.441","0.004","3355.7","0.3","190","","190.15","","","","","","","","","5","P -1","-P 1","2","","","","- C66 H86 N2 O14 Y2 -","- C66 H86 N2 O14 Y2 -","- C132 H172 N4 O28 Y4 -","2","1","","Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.","Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4874","4879","10.1039/d1dt00393c","","","0.71073","MoKα","","0.0794","0.047","","","0.1036","0.1171","","","","","","1.026","","","","has coordinates,has disorder","266067","2021-06-05","18:48:25",""
"7706846","17.9401","0.0004","24.2762","0.0004","16.1921","0.0003","90","","105.23","0.002","90","","6804.3","0.2","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Gd2 O14 -","- C66 H84 Gd2 O14 -","- C264 H336 Gd8 O56 -","4","1","","Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.","Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4874","4879","10.1039/d1dt00393c","","x-ray","0.71073","MoKα","","0.0651","0.041","","","0.0773","0.0858","","","","","","1.042","","","","has coordinates","266067","2021-06-05","18:48:25",""
"7706847","17.9451","0.0004","24.2009","0.0005","15.9799","0.0003","90","","104.853","0.002","90","","6708","0.2","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 O14 Yb2 -","- C66 H84 O14 Yb2 -","- C264 H336 O56 Yb8 -","4","1","","Brock, A. J.; Etchells, I. M.; Moore, E. G.; Clegg, J. K.","Dinuclear triple stranded phenyl-spaced 1,3-bis-β-diketonato lanthanide(iii) complexes: synthesis, structures and spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4874","4879","10.1039/d1dt00393c","","x-ray","0.71073","MoKα","","0.0663","0.0405","","","0.0695","0.0769","","","","","","1.026","","","","has coordinates","266067","2021-06-05","18:48:25",""
"7706848","13.8967","0.0008","8.1179","0.0003","13.4003","0.0007","90","","113.349","0.007","90","","1387.92","0.14","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","(5r,10s)-4-fluoro-10H-5,10-[1,2]benzenoacridophosphine","(5r,10s)-4-fluoro-10H-5,10-[1,2]benzenoacridophosphine","","- C19 H12 F P -","- C19 H12 F P -","- C76 H48 F4 P4 -","4","0.5","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0697","0.069","","","0.1533","0.1536","","","","","","1.359","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7706849","8.7704","0.0004","9.6774","0.0003","16.3912","0.0004","106.886","0.003","96.369","0.003","92.054","0.003","1319.61","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","phenyl 6-chloro-5-[2-chloro-6-(phenoxycarbonyl)phenyl]-5H- benzo[b]phosphindole-1-carboxylate","phenyl 6-chloro-5-[2-chloro-6-(phenoxycarbonyl)phenyl]-5H- benzo[b]phosphindole-1-carboxylate","","- C32 H19 Cl2 O4 P -","- C32 H19 Cl2 O4 P -","- C64 H38 Cl4 O8 P2 -","2","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","0.71073","MoKα","","0.0525","0.0381","","","0.0926","0.102","","","","","","1.031","","","","has coordinates","266063","2021-06-05","18:47:29",""
"7706850","31.4777","0.0008","8.5972","0.0002","14.8825","0.0004","90","","94.161","0.003","90","","4016.89","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2-bromo-3-chlorophenyl)bis(2-bromo-6-chlorophenyl)phosphane","(2-bromo-3-chlorophenyl)bis(2-bromo-6-chlorophenyl)phosphane","","- C18 H9 Br3 Cl3 P -","- C18 H9 Br3 Cl3 P -","- C144 H72 Br24 Cl24 P8 -","8","2","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0609","0.0431","","","0.0939","0.1032","","","","","","1.06","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7706851","7.4004","0.0009","8.9219","0.0012","15.889","0.003","78.126","0.013","82.433","0.012","81.201","0.011","1009.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(2,3-dibromophenyl)bis(2,6-dibromophenyl)phosphane","(2,3-dibromophenyl)bis(2,6-dibromophenyl)phosphane","","- C18 H9 Br6 P -","- C18 H9 Br6 P -","- C36 H18 Br12 P2 -","2","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0912","0.0735","","","0.2115","0.2272","","","","","","1.095","","","","has coordinates","266063","2021-06-05","18:47:29",""
"7706852","9.394","0.0002","15.7924","0.0003","16.7012","0.0004","65.676","0.002","80.915","0.002","76.193","0.002","2187.53","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Rh(acac)CO(9-phosphatriptycene) complex","(acetylacetonato)-carbonylrhodium-9-phosphatriptycene complex","","- C25 H20 O3 P Rh -","- C25 H20 O3 P Rh -","- C100 H80 O12 P4 Rh4 -","4","2","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0262","0.0244","","","0.0618","0.0632","","","","","","1.043","","","","has coordinates","266063","2021-06-05","18:47:29",""
"7706853","8.26668","0.00008","15.72226","0.00015","17.6734","0.00019","90","","90","","90","","2297.03","0.04","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Rh(acac)CO(o-CF3-9-phosphatriptycene complex)","(acetylacetonato)-carbonylrhodium-ortho-trifluoromethyl-9-phosphatriptycene complex","","- C26 H19 F3 O3 P Rh -","- C26 H19 F3 O3 P Rh -","- C104 H76 F12 O12 P4 Rh4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0281","0.027","","","0.0673","0.0683","","","","","","1.012","","","","has coordinates","266063","2021-06-05","18:47:29",""
"7706854","7.2135","0.0003","13.7539","0.0004","8.1944","0.0003","90","","113.053","0.004","90","","748.07","0.05","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","4-chloro-10H-5,10-[1,2]benzenoacridophosphine","4-chloro-10H-5,10-[1,2]benzenoacridophosphine","","- C19 H12 Cl P -","- C19 H12.0004 Cl P -","- C38 H24.0008 Cl2 P2 -","2","0.5","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0852","0.0664","","","0.2007","0.208","","","","","","1.08","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7706855","9.5012","0.0002","15.7667","0.0005","16.69","0.0005","65.119","0.003","80.211","0.002","75.563","0.002","2190.48","0.12","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Rh(acac)CO(o-fluoro-9-phosphatriptycene complex)","(acetylacetonato)-carbonylrhodium-ortho-fluoro-9-phosphatriptycene complex","","- C25 H19 F O3 P Rh -","- C25 H19 F O3 P Rh -","- C100 H76 F4 O12 P4 Rh4 -","4","2","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0445","0.0349","","","0.0943","0.102","","","","","","1.037","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7706856","8.1914","0.0002","13.7899","0.0004","8.6284","0.0002","90","","99.365","0.003","90","","961.66","0.04","295","2","295","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(5R/S,10S/R)-2-(tert-butyl)-6-chloro-10H-5,10-[1,2]benzenoacridophosphine","(5R/S,10S/R)-2-(tert-butyl)-6-chloro-10H-5,10-[1,2]benzenoacridophosphine","","- C23 H20 Cl P -","- C23 H20 Cl P -","- C46 H40 Cl2 P2 -","2","0.5","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0583","0.0517","","","0.153","0.1553","","","","","","1.146","","","","has coordinates,has disorder","266063","2021-06-05","18:47:29",""
"7706857","13.987","0.0017","16.009","0.004","16.436","0.004","74.36","0.02","89.257","0.014","79.319","0.016","3480","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","6-chloro-1,4-dimethyl-10H-5,10-[1,2]benzenoacridophosphine","6-chloro-1,4-dimethyl-10H-5,10-[1,2]benzenoacridophosphine","","- C21 H16 Cl P -","- C21 H16 Cl P -","- C168 H128 Cl8 P8 -","8","4","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","0.71073","MoKα","","0.1586","0.0877","","","0.1992","0.2354","","","","","","1.042","","","","has coordinates,has disorder","266063","2021-06-05","18:47:30",""
"7706858","14.81554","0.00013","17.38646","0.00013","16.11733","0.00012","90","","90.9329","0.0007","90","","4151.11","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","chloro(1-trifluoromethyl-9‒phosphotriptycene)gold(I) toluene hemi-solvate","chloro(1-trifluoromethyl-9‒phosphotriptycene)gold(I) toluene hemi-solvate","","- C47 H32 Au2 Cl2 F6 P2 -","- C47 H32 Au2 Cl2 F6 P2 -","- C188 H128 Au8 Cl8 F24 P8 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0294","0.0289","","","0.0703","0.0706","","","","","","1.187","","","","has coordinates,has disorder","266063","2021-06-05","18:47:30",""
"7706859","8.62702","0.0001","21.4229","0.0002","12.62171","0.00015","90","","107.165","0.0013","90","","2228.78","0.05","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Rh(acac)CO(o-chloro-9-phosphatriptycene complex)","(acetylacetonato)-carbonylrhodium-ortho-chloro-9-phosphatriptycene complex","","- C25 H19 Cl O3 P Rh -","- C25 H19 Cl O3 P Rh -","- C100 H76 Cl4 O12 P4 Rh4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0313","0.0293","","","0.0723","0.0736","","","","","","1.09","","","","has coordinates,has disorder","266063","2021-06-05","18:47:30",""
"7706860","8.663","0.0004","8.8328","0.0004","20.9003","0.0008","90","","98.024","0.004","90","","1583.6","0.12","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(5s,10s)-1,4-dimethyl-10H-5,10-[1,2]benzenoacridophosphine","(5s,10s)-1,4-dimethyl-10H-5,10-[1,2]benzenoacridophosphine","","- C21 H17 P -","- C21 H17 P -","- C84 H68 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","0.71073","MoKα","","0.0624","0.0458","","","0.1166","0.1274","","","","","","1.032","","","","has coordinates,has disorder","266063","2021-06-05","18:47:30",""
"7706861","8.26532","0.00009","14.28693","0.00014","14.00053","0.00014","90","","91.8231","0.0009","90","","1652.43","0.03","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","chloro(9-phosphotriptycene)gold(I)","chloro(9-phosphotriptycene)gold(I)","","- C19 H13 Au Cl P -","- C19 H13 Au Cl P -","- C76 H52 Au4 Cl4 P4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0324","0.0301","","","0.0735","0.0757","","","","","","1.072","","","","has coordinates","266063","2021-06-05","18:47:30",""
"7706862","25.3429","0.0003","16.74118","0.00016","25.2476","0.0003","90","","102.017","0.001","90","","10477.1","0.2","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H162 Dy4 N10 O24 -","- C83 H162 Dy4 N10 O24 -","- C332 H648 Dy16 N40 O96 -","4","0.5","","Schlittenhardt, Sören; Moreno-Pineda, Eufemio; Ruben, Mario","Heteroleptic, polynuclear dysprosium(iii)-carbamato complexes through in situ carbon dioxide capture.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4735","4742","10.1039/d1dt00063b","","x-ray","0.71073","MoKα","","0.0345","0.0254","","","0.0534","0.0566","","","","","","1.042","","","","has coordinates,has disorder","266054","2021-06-05","18:44:48",""
"7706863","27.6199","0.0002","28.7305","0.0003","20.34422","0.00016","90","","92.4511","0.0007","90","","16129.1","0.2","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H198 Dy6 N12 O34 -","- C121 H190 Dy6 N12 O34 -","- C484 H760 Dy24 N48 O136 -","4","0.5","","Schlittenhardt, Sören; Moreno-Pineda, Eufemio; Ruben, Mario","Heteroleptic, polynuclear dysprosium(iii)-carbamato complexes through in situ carbon dioxide capture.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4735","4742","10.1039/d1dt00063b","","x-ray","0.71073","MoKα","","0.0368","0.0292","","","0.0678","0.0711","","","","","","1.034","","","","has coordinates,has disorder","266054","2021-06-05","18:44:48",""
"7706864","15.05782","0.00016","20.9377","0.0002","29.0794","0.0003","90","","97.1774","0.0009","90","","9096.2","0.16","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C181.45 H185.95 Dy6 N12 O34 -","- C170.946 H173.946 Dy6 N12 O34 -","- C341.892 H347.892 Dy12 N24 O68 -","2","0.5","","Schlittenhardt, Sören; Moreno-Pineda, Eufemio; Ruben, Mario","Heteroleptic, polynuclear dysprosium(iii)-carbamato complexes through in situ carbon dioxide capture.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4735","4742","10.1039/d1dt00063b","","x-ray","0.71073","MoKα","","0.0492","0.04","","","0.111","0.1164","","","","","","1.049","","","","has coordinates,has disorder","266054","2021-06-05","18:44:48",""
"7706865","12.0419","0.00002","20.7046","0.00003","15.8406","0.00003","90","","92.842","0.003","90","","3944.56","0.015","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H74 B2 N2 P4 W -","- C32 H74 B2 N2 P4 W -","- C128 H296 B8 N8 P16 W4 -","4","1","","Coffinet, Anaïs; Zhang, Dan; Vendier, Laure; Bontemps, Sébastien; Simonneau, Antoine","Borane-catalysed dinitrogen borylation by 1,3-B-H bond addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5582","5589","10.1039/d1dt00317h","","","0.71073","MoKα","","0.083","0.0544","","0.0312","0.0247","0.0238","","","","","","0.8984","","","","has coordinates","266025","2021-06-05","18:36:49",""
"7706866","12.6243","0.0009","15.7892","0.0011","16.111","0.0012","91.132","0.002","91.227","0.002","92.249","0.002","3207.5","0.4","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H106 B2 N4 O4 P8 W2 -","- C52 H106 B2 N4 O4 P8 W2 -","- C104 H212 B4 N8 O8 P16 W4 -","2","1","","Coffinet, Anaïs; Zhang, Dan; Vendier, Laure; Bontemps, Sébastien; Simonneau, Antoine","Borane-catalysed dinitrogen borylation by 1,3-B-H bond addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5582","5589","10.1039/d1dt00317h","","","0.71073","MoKα","","0.0568","0.0325","","0.0596","0.0336","0.0318","","","","","","1.0705","","","","has coordinates","266025","2021-06-05","18:36:50",""
"7706867","21.1576","0.00004","19.9534","0.00004","23.9066","0.00004","90","","106.795","0.003","90","","9662.05","0.16","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C87 H136 B4 F20 N4 P8 W2 -","- C87 H136 B4 F20 N4 P8 W2 -","- C348 H544 B16 F80 N16 P32 W8 -","4","0.5","","Coffinet, Anaïs; Zhang, Dan; Vendier, Laure; Bontemps, Sébastien; Simonneau, Antoine","Borane-catalysed dinitrogen borylation by 1,3-B-H bond addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5582","5589","10.1039/d1dt00317h","","","0.71073","MoKα","","0.1245","0.0472","","0.1072","0.0431","0.0399","","","","","","0.9265","","","","has coordinates","266025","2021-06-05","18:36:50",""
"7706868","8.3663","0.0002","14.6831","0.0003","15.5009","0.0004","90","","99.382","0.001","90","","1878.71","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N6 Ni O S3 -","- C12 H24 N6 Ni O S3 -","- C48 H96 N24 Ni4 O4 S12 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Bhattacharjee, Sharmila; Daniliuc, Constantin Gabriel; Frontera, Antonio; Lopato, Eric M.; Bernhard, Stefan","Nickel(II) complexes based on dithiolate-polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5632","5643","10.1039/d1dt00352f","","","0.71073","MoKα","","0.0463","0.0383","","","0.0916","0.0963","","","","","","1.053","","","","has coordinates,has disorder","264897","2021-05-05","08:36:29",""
"7706869","16.3199","0.0006","9.1021","0.0003","18.1332","0.0007","90","","114.143","0.003","90","","2457.99","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 N10 Ni2 S4 -","- C16 H26 N10 Ni2 S4 -","- C64 H104 N40 Ni8 S16 -","4","0.5","","Adhikari, Suman; Bhattacharjee, Tirtha; Bhattacharjee, Sharmila; Daniliuc, Constantin Gabriel; Frontera, Antonio; Lopato, Eric M.; Bernhard, Stefan","Nickel(II) complexes based on dithiolate-polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5632","5643","10.1039/d1dt00352f","","","0.71073","MoKα","","0.0673","0.0495","","","0.1053","0.1148","","","","","","1.025","","","","has coordinates","264897","2021-05-05","08:36:29",""
"7706870","18.658","0.004","7.2167","0.0014","14.534","0.003","90","","120.13","0.03","90","","1692.6","0.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C26 H30 N10 Ni2 O2 S4 -","- C26 H30 N10 Ni2 O2 S4 -","- C52 H60 N20 Ni4 O4 S8 -","2","0.25","","Adhikari, Suman; Bhattacharjee, Tirtha; Bhattacharjee, Sharmila; Daniliuc, Constantin Gabriel; Frontera, Antonio; Lopato, Eric M.; Bernhard, Stefan","Nickel(II) complexes based on dithiolate-polyamine binary ligand systems: crystal structures, hirshfeld surface analysis, theoretical study, and catalytic activity study on photocatalytic hydrogen generation.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5632","5643","10.1039/d1dt00352f","","","0.71073","MoKα","","0.0564","0.0464","","","0.1177","0.1261","","","","","","1.046","","","","has coordinates,has disorder","264897","2021-05-05","08:36:29",""
"7706871","19.0444","0.0003","9.8008","0.0001","14.1408","0.0002","90","","93.323","0.001","90","","2634.95","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O2 Zr -","- C30 H36 O2 Zr -","- C120 H144 O8 Zr4 -","4","1","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","","1.54184","CuKα","","0.0376","0.0292","","","0.0716","0.0802","","","","","","1.034","","","","has coordinates,has disorder","266068","2021-06-05","18:48:44",""
"7706872","15.5176","0.0002","10.4812","0.0001","21.7454","0.0002","90","","106.515","0.001","90","","3390.83","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 O2 Zr -","- C38 H52 O2 Zr -","- C152 H208 O8 Zr4 -","4","1","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","","0.71073","MoKα","","0.0475","0.0338","","","0.087","0.092","","","","","","1.051","","","","has coordinates","266068","2021-06-05","18:48:44",""
"7706873","16.1146","0.0001","9.9705","0.0001","16.576","0.0001","90","","90.68","0.001","90","","2663.09","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cl O Zr -","- C29 H41 Cl O Zr -","- C116 H164 Cl4 O4 Zr4 -","4","1","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","","1.54184","CuKα","","0.024","0.0216","","","0.0549","0.06","","","","","","1.073","","","","has coordinates","266068","2021-06-05","18:48:44",""
"7706874","10.5832","0.0002","12.663","0.0003","15.2987","0.0003","72.614","0.002","70.176","0.002","67.102","0.002","1743.52","0.07","150","2","149.98","0.16","","","","","","","","7","P -1","-P 1","2","","","","- C34 H55 Cl2 Li N2 O Zr -","- C34 H55 Cl2 Li N2 O Zr -","- C68 H110 Cl4 Li2 N4 O2 Zr2 -","2","1","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","","1.5418","CuKα","","0.0213","0.0208","","","0.0535","0.0539","","","","","","1.035","","","","has coordinates,has disorder","266068","2021-06-05","18:48:44",""
"7706875","9.8414","0.0005","11.4573","0.0005","11.9108","0.0005","114.746","0.004","92.331","0.004","98.792","0.004","1197.13","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 O4 Zr -","- C28 H32 O4 Zr -","- C56 H64 O8 Zr2 -","2","1","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","","1.54184","CuKα","","0.0242","0.0224","","","0.0553","0.0564","","","","","","1.045","","","","has coordinates","266068","2021-06-05","18:48:44",""
"7706876","10.6046","0.0006","12.2355","0.0005","17.2888","0.0008","75.85","0.004","87.114","0.004","67.084","0.004","2001","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 Cl O Zr -","- C22 H27 Cl O Zr -","- C88 H108 Cl4 O4 Zr4 -","4","2","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","","1.54184","CuKα","","0.0311","0.0253","","","0.0583","0.0616","","","","","","1.056","","","","has coordinates","266068","2021-06-05","18:48:44",""
"7706877","8.9476","0.0002","10.3488","0.0003","16.0319","0.0004","92.631","0.002","92.145","0.002","115.499","0.002","1335.8","0.06","150","2","149.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H42 O Zr -","- C32 H42 O Zr -","- C64 H84 O2 Zr2 -","2","1","","Turner, Zoë R; Lamb, Jessica V.; Robinson, Thomas P.; Mandal, Dipa; Buffet, Jean-Charles; O Hare, Dermot","Ring-opening polymerisation of l- and rac-lactide using group 4 permethylpentalene aryloxides and alkoxides.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4805","4818","10.1039/d1dt00252j","","x-ray","1.54184","CuKα","","0.0374","0.0344","","","0.0885","0.0914","","","","","","1.099","","","","has coordinates","266068","2021-06-05","18:48:44",""
"7706878","12.786","0.0003","19.1015","0.0005","29.4531","0.0008","90","","96.062","0.001","90","","7153.2","0.3","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H104 Cl3 Ge K2 N4 O13 Si2 Y -","- C52 H104 Cl3 Ge K2 N4 O13 Si2 Y -","- C208 H416 Cl12 Ge4 K8 N16 O52 Si8 Y4 -","4","1","","Liu, Jingjing; Singh, Kalyan; Dutta, Sayan; Feng, Zhongtao; Koley, Debasis; Tan, Gengwen; Wang, Xinping","Yttrium germole dianion complexes with Y-Ge bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5552","5556","10.1039/d1dt00798j","","","0.71073","MoKα","","0.0612","0.0381","","","0.084","0.0905","","","","","","1.031","","","","has coordinates","266029","2021-06-05","18:37:31",""
"7706879","11.6017","0.0007","19.7402","0.0011","11.7109","0.0008","90","","114.748","0.002","90","","2435.7","0.3","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 Ge2 Si4 Y2 -","- C44 H78 Ge2 Si4 Y2 -","- C88 H156 Ge4 Si8 Y4 -","2","0.5","","Liu, Jingjing; Singh, Kalyan; Dutta, Sayan; Feng, Zhongtao; Koley, Debasis; Tan, Gengwen; Wang, Xinping","Yttrium germole dianion complexes with Y-Ge bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5552","5556","10.1039/d1dt00798j","","","0.71073","MoKα","","0.0556","0.0434","","","0.1165","0.1241","","","","","","1.078","","","","has coordinates","266029","2021-06-05","18:37:32",""
"7706880","19.7531","0.0006","18.6849","0.0005","22.8277","0.0006","90","","95.222","0.001","90","","8390.4","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H112 Ge4 K2 Si8 Y2 -","- C62 H112 Ge4 K2 Si8 Y2 -","- C248 H448 Ge16 K8 Si32 Y8 -","4","0.5","","Liu, Jingjing; Singh, Kalyan; Dutta, Sayan; Feng, Zhongtao; Koley, Debasis; Tan, Gengwen; Wang, Xinping","Yttrium germole dianion complexes with Y-Ge bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5552","5556","10.1039/d1dt00798j","","","0.71073","MoKα","","0.0577","0.0448","","","0.1379","0.1451","","","","","","1.071","","","","has coordinates,has disorder","266029","2021-06-05","18:37:32",""
"7706881","8.06366","0.00015","16.5756","0.0003","12.1507","0.0002","90","","103.532","0.0019","90","","1578.98","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 F9 N2 O Pt -","- C29 H45 F9 N2 O Pt -","- C58 H90 F18 N4 O2 Pt2 -","2","1","","Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil","Hydrogen bonding to metals as a probe for an inverted ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5465","5472","10.1039/d1dt00597a","","","0.71073","MoKα","","0.0333","0.0303","","","0.0678","0.071","","","","","","1.025","","","","has coordinates","266024","2021-06-05","18:36:30",""
"7706882","13.6093","0.0005","10.2974","0.0003","14.3695","0.0004","90","","98.813","0.003","90","","1989.97","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Au F9 N O2 -","- C16 H17 Au F9 N O2 -","- C64 H68 Au4 F36 N4 O8 -","4","1","","Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil","Hydrogen bonding to metals as a probe for an inverted ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5465","5472","10.1039/d1dt00597a","","","0.71073","MoKα","","0.0373","0.0285","","","0.0575","0.062","","","","","","1.045","","","","has coordinates","266024","2021-06-05","18:36:31",""
"7706883","11.52074","0.00016","15.3869","0.0002","8.23755","0.00013","90","","96.5705","0.0013","90","","1450.67","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Au F9 N -","- C13 H9 Au F9 N -","- C52 H36 Au4 F36 N4 -","4","1","","Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil","Hydrogen bonding to metals as a probe for an inverted ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5465","5472","10.1039/d1dt00597a","","","0.71073","MoKα","","0.0235","0.0204","","","0.0403","0.0413","","","","","","1.123","","","","has coordinates","266024","2021-06-05","18:36:31",""
"7706884","8.05265","0.00013","9.48577","0.00018","10.40797","0.00017","95.5252","0.0015","98.4507","0.0014","100.077","0.0015","768.16","0.02","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Au F9 N O2 -","- C12 H9 Au F9 N O2 -","- C24 H18 Au2 F18 N2 O4 -","2","1","","Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil","Hydrogen bonding to metals as a probe for an inverted ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5465","5472","10.1039/d1dt00597a","","","0.71073","MoKα","","0.0192","0.0186","","","0.0431","0.0434","","","","","","1.156","","","","has coordinates","266024","2021-06-05","18:36:31",""
"7706885","10.94396","0.00016","17.6147","0.0004","16.5747","0.0003","90","","101.576","0.0017","90","","3130.19","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 F9 N2 Pt -","- C29 H45 F9 N2 Pt -","- C116 H180 F36 N8 Pt4 -","4","1","","Pérez-Bitrián, Alberto; Baya, Miguel; Casas, José M; Martín, Antonio; Menjón, Babil","Hydrogen bonding to metals as a probe for an inverted ligand field.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5465","5472","10.1039/d1dt00597a","","","0.71073","MoKα","","0.0746","0.0654","","","0.1634","0.1697","","","","","","1.07","","","","has coordinates,has disorder","266024","2021-06-05","18:36:31",""
"7706886","16.274","0.0004","9.8889","0.0003","14.5937","0.0005","90","","103.215","0.001","90","","2286.4","0.12","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H26 Br Cl2 N3 Sn -","- C20 H26 Br Cl2 N3 Sn -","- C80 H104 Br4 Cl8 N12 Sn4 -","4","1","","Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš","Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5519","5529","10.1039/d1dt00704a","","","0.71073","MoKα","","0.0213","0.0183","","","0.039","0.0396","","","","","","0.942","","","","has coordinates,has disorder","264899","2021-05-05","08:38:46",""
"7706887","8.4177","0.0002","9.209","0.0003","15.3664","0.0005","94.2816","0.0012","90.6193","0.001","115.805","0.0009","1068.16","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.2 H28 Br0.8 N3.2 O0.5 Sn -","- C21.2 H28 Br0.8 N3.2 O0.5 Sn -","- C42.4 H56 Br1.6 N6.4 O Sn2 -","2","1","","Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš","Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5519","5529","10.1039/d1dt00704a","","","0.71073","MoKα","","0.0241","0.0201","","","0.0397","0.0403","","","","","","1.134","","","","has coordinates,has disorder","264899","2021-05-05","08:38:55",""
"7706888","45.281","0.0004","9.653","0.0003","29.112","0.0007","90","","107.087","0.003","90","","12163.1","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60.11 H75 Br2.89 N9.11 Sn3 -","- C60.11 H75 Br2.89 N9.11 Sn3 -","- C480.88 H600 Br23.12 N72.88 Sn24 -","8","1","","Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš","Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5519","5529","10.1039/d1dt00704a","","","0.71073","MoKα","","0.0696","0.04","","","0.07","0.0768","","","","","","1.126","","","","has coordinates,has disorder","264899","2021-05-05","08:38:57",""
"7706889","16.685","0.0006","8.606","0.002","18.354","0.0011","90","","109.413","0.006","90","","2485.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Br2 N2 Si4 Sn -","- C12 H36 Br2 N2 Si4 Sn -","- C48 H144 Br8 N8 Si16 Sn4 -","4","0.5","","Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš","Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5519","5529","10.1039/d1dt00704a","","","0.71073","MoKα","","0.0234","0.0176","","","0.0396","0.0413","","","","","","1.153","","","","has coordinates","264899","2021-05-05","08:38:57",""
"7706890","16.8435","0.0007","8.625","0.0003","18.3789","0.0008","90","","109.381","0.0015","90","","2518.7","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12.94 H36 Br1.06 N2.94 Si4 Sn -","- C12.94 H36 Br1.06 N2.94 Si4 Sn -","- C51.76 H144 Br4.24 N11.76 Si16 Sn4 -","4","0.5","","Švec, Petr; Samsonov, Maksim A.; RůŽičková, Zdeňka; Brus, Jiří; RůŽička, Aleš","Oxidative addition of cyanogen bromide to <i>C</i>,<i>N</i>-chelated and Lappert's stannylenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5519","5529","10.1039/d1dt00704a","","","0.71073","MoKα","","0.0255","0.021","","","0.0415","0.0427","","","","","","1.12","","","","has coordinates,has disorder","264899","2021-05-05","08:38:57",""
"7706891","7.2451","0.0001","11.8636","0.0001","20.2553","0.0002","90","","99.331","0.001","90","","1717.97","0.03","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cl2 N3 Pt -","- C19 H15 Cl2 N3 Pt -","- C76 H60 Cl8 N12 Pt4 -","4","1","","Pischedda, Sara; Stoccoro, Sergio; Zucca, Antonio; Sciortino, Giuseppe; Ortu, Fabrizio; Clarkson, Guy J.","Synthesis and characterization of new Pd(ii) and Pt(ii) complexes with 3-substituted 1-(2-pyridyl)imidazo[1,5-a]pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4859","4873","10.1039/d1dt00546d","","x-ray","1.54184","CuKα","","0.0254","0.0243","","","0.0654","0.0663","","","","","","1.046","","","","has coordinates","266065","2021-06-05","18:47:51",""
"7706892","7.48068","0.00013","18.9967","0.0003","11.6695","0.0002","90","","103.136","0.0019","90","","1614.94","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl2 N3 Pt -","- C18 H13 Cl2 N3 Pt -","- C72 H52 Cl8 N12 Pt4 -","4","1","","Pischedda, Sara; Stoccoro, Sergio; Zucca, Antonio; Sciortino, Giuseppe; Ortu, Fabrizio; Clarkson, Guy J.","Synthesis and characterization of new Pd(ii) and Pt(ii) complexes with 3-substituted 1-(2-pyridyl)imidazo[1,5-a]pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4859","4873","10.1039/d1dt00546d","","x-ray","0.71073","MoKα","","0.0308","0.0227","","","0.0436","0.0464","","","","","","1.04","","","","has coordinates","266065","2021-06-05","18:47:52",""
"7706893","8.6794","0.0007","10.7831","0.0009","10.8932","0.0009","73.015","0.008","80.802","0.007","85.043","0.007","961.65","0.14","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N3 Pd -","- C22 H22 Cl N3 Pd -","- C44 H44 Cl2 N6 Pd2 -","2","1","","Pischedda, Sara; Stoccoro, Sergio; Zucca, Antonio; Sciortino, Giuseppe; Ortu, Fabrizio; Clarkson, Guy J.","Synthesis and characterization of new Pd(ii) and Pt(ii) complexes with 3-substituted 1-(2-pyridyl)imidazo[1,5-a]pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4859","4873","10.1039/d1dt00546d","","x-ray","0.71073","MoKα","","0.0682","0.0434","","","0.0863","0.0926","","","","","","1.029","","","","has coordinates,has disorder","266065","2021-06-05","18:47:52",""
"7706894","6.7186","0.0005","18.0115","0.0011","14.8207","0.001","90","","101.194","0.007","90","","1759.4","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N3 Pd -","- C20 H18 Cl N3 Pd -","- C80 H72 Cl4 N12 Pd4 -","4","1","","Pischedda, Sara; Stoccoro, Sergio; Zucca, Antonio; Sciortino, Giuseppe; Ortu, Fabrizio; Clarkson, Guy J.","Synthesis and characterization of new Pd(ii) and Pt(ii) complexes with 3-substituted 1-(2-pyridyl)imidazo[1,5-a]pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4859","4873","10.1039/d1dt00546d","","x-ray","0.71073","MoKα","","0.0822","0.0541","","","0.0886","0.1027","","","","","","1.036","","","","has coordinates,has disorder","266065","2021-06-05","18:47:52",""
"7706895","6.6611","0.0003","17.917","0.0007","14.6855","0.0006","90","","101.376","0.004","90","","1718.24","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N3 Pt -","- C20 H18 Cl N3 Pt -","- C80 H72 Cl4 N12 Pt4 -","4","1","","Pischedda, Sara; Stoccoro, Sergio; Zucca, Antonio; Sciortino, Giuseppe; Ortu, Fabrizio; Clarkson, Guy J.","Synthesis and characterization of new Pd(ii) and Pt(ii) complexes with 3-substituted 1-(2-pyridyl)imidazo[1,5-a]pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4859","4873","10.1039/d1dt00546d","","x-ray","0.71073","MoKα","","0.0436","0.0318","","","0.0549","0.0586","","","","","","1.035","","","","has coordinates,has disorder","266065","2021-06-05","18:47:52",""
"7706896","15.3038","0.0015","16.5965","0.0016","13.8932","0.0014","90","","90.886","0.002","90","","3528.3","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Cl3 N2 Nb O4 -","- C10 H20 Cl3 N2 Nb O4 -","- C80 H160 Cl24 N16 Nb8 O32 -","8","2","","Bresciani, Giulio; Zacchini, Stefano; Marchetti, Fabio; Pampaloni, Guido","Non-precious metal carbamates as catalysts for the aziridine/CO<sub>2</sub> coupling reaction under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5351","5359","10.1039/d1dt00525a","","","0.71073","MoKα","","0.0325","0.0259","","","0.0536","0.0553","","","","","","1.089","","","","has coordinates","266083","2021-06-05","18:53:06",""
"7706897","7.4915","0.0014","12.296","0.002","9.6832","0.0018","90","","95.837","0.008","90","","887.3","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C10 H20 Br2.06 Cl0.94 N2 Nb O4 -","- C10 H20 Br2.049 Cl0.951 N2 Nb O4 -","- C20 H40 Br4.098 Cl1.902 N4 Nb2 O8 -","2","1","","Bresciani, Giulio; Zacchini, Stefano; Marchetti, Fabio; Pampaloni, Guido","Non-precious metal carbamates as catalysts for the aziridine/CO<sub>2</sub> coupling reaction under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5351","5359","10.1039/d1dt00525a","","","0.71073","MoKα","","0.0523","0.0427","","","0.0902","0.094","","","","","","1.018","","","","has coordinates","266083","2021-06-05","18:53:06",""
"7706898","17.5963","0.0008","17.8058","0.0008","18.944","0.0008","77.902","0.001","67.608","0.001","67.122","0.001","5043","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H118 Cl4 Cu4 N24 O28 S11 -","- C62 H118 Cl4 Cu4 N24 O28 S11 -","- C124 H236 Cl8 Cu8 N48 O56 S22 -","2","1","","Kamebuchi, Hajime; Murakami, Hiroki; Shiga, Ryosuke; Tadokoro, Makoto","Preparation of a magnetic metal-organic square and metal-organic cubes using 4,5-bis(2-imidazolinyl)imidazolate: slow magnetization relaxation behavior in mixed-valent octamanganese(ii/iii) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5452","5464","10.1039/d0dt04425c","","","0.71073","MoKα","","0.0883","0.0729","","","0.1888","0.2023","","","","","","1.05","","","","has coordinates,has disorder","266022","2021-06-05","18:36:10",""
"7706899","17.046","0.003","17.684","0.003","18.154","0.003","68.925","0.002","70.325","0.002","70.352","0.002","4661.8","1.4","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C122 H188 Cl8 Mn8 N72 O46 -","- C108 H132 Cl8 Mn8 N72 O32 -","- C108 H132 Cl8 Mn8 N72 O32 -","1","0.5","","Kamebuchi, Hajime; Murakami, Hiroki; Shiga, Ryosuke; Tadokoro, Makoto","Preparation of a magnetic metal-organic square and metal-organic cubes using 4,5-bis(2-imidazolinyl)imidazolate: slow magnetization relaxation behavior in mixed-valent octamanganese(ii/iii) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5452","5464","10.1039/d0dt04425c","","","0.71073","MoKα","","0.1231","0.0918","","","0.2982","0.3293","","","","","","1.181","","","","has coordinates,has disorder","266022","2021-06-05","18:36:11",""
"7706900","14.6815","0.0006","17.6981","0.0008","17.8221","0.0008","111.082","0.001","98.566","0.001","106.133","0.001","3987.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C117 H172 Cl4 N72 Ni8 O28.5 -","- C108 H132 Cl4 N72 Ni8 O16.5 -","- C108 H132 Cl4 N72 Ni8 O16.5 -","1","0.5","","Kamebuchi, Hajime; Murakami, Hiroki; Shiga, Ryosuke; Tadokoro, Makoto","Preparation of a magnetic metal-organic square and metal-organic cubes using 4,5-bis(2-imidazolinyl)imidazolate: slow magnetization relaxation behavior in mixed-valent octamanganese(ii/iii) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5452","5464","10.1039/d0dt04425c","","","0.71073","MoKα","","0.1263","0.0765","","","0.1995","0.2393","","","","","","1.039","","","","has coordinates","266022","2021-06-05","18:36:11",""
"7706901","11.0129","0.0002","12.4615","0.0002","13.574","0.0003","90","","104.732","0.002","90","","1801.62","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N,N'-Ethylene-bis(salicylideneiminato))-cyanomethyl-cobalt(iii) benzene solvate","","- C21 H19 Co N3 O2 -","- C21 H19 Co N3 O2 -","- C84 H76 Co4 N12 O8 -","4","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.0375","0.0302","","","0.0721","0.0762","","","","","","1.05","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706902","10.0428","0.0001","13.7874","0.0001","13.33","0.0001","90","","97.79","0.001","90","","1828.69","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N,N'-Ethylene-bis(salicylideneiminato))-nitromethyl-cobalt(iii) nitromethane solvate","","- C18 H19 Co N4 O6 -","- C18 H19 Co N4 O6 -","- C72 H76 Co4 N16 O24 -","4","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.034","0.033","","","0.0934","0.0943","","","","","","1.051","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706903","7.5754","0.0002","11.5841","0.0005","11.853","0.0004","110.095","0.003","103.433","0.002","94.087","0.003","937.02","0.06","295.1","0.5","293","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Ethylene-bis(salicylideneiminato))-acetonyl-cobalt(iii) benzene solvate","","- C22 H22 Co N2 O3 -","- C22 H22 Co N2 O3 -","- C44 H44 Co2 N4 O6 -","2","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.0305","0.0275","","","0.074","0.0762","","","","","","1.024","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706904","7.5674","0.0002","19.9473","0.0005","12.5497","0.0003","90","","99.379","0.003","90","","1869.04","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N,N'-Ethylene-bis(salicylideneiminato))-acetonyl-cobalt(iii) methanol solvate","","- C20 H23 Co N2 O4 -","- C20 H23 Co N2 O4 -","- C80 H92 Co4 N8 O16 -","4","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.0541","0.042","","","0.1189","0.122","","","","","","1.048","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706905","9.3662","0.0002","11.922","0.0003","13.0281","0.0002","105.961","0.002","102.924","0.001","109.03","0.002","1241.2","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","(N,N'-Ethylene-bis(salicylideneiminato))-(2,2,2-trifluoroethoxy)-cobalt(iii) 2,2,2-trifluoroethanol solvate","","- C22 H22 Co F9 N2 O5 -","- C22 H22 Co F9 N2 O5 -","- C44 H44 Co2 F18 N4 O10 -","2","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","x-ray","1.54184","CuKα","","0.0374","0.0327","","","0.0826","0.0849","","","","","","1.036","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706906","10.907","0.0002","14.9544","0.0002","13.0565","0.0002","90","","111.878","0.002","90","","1976.24","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N,N'-Ethylene-bis(salicylideneiminato))-benzoylmethyl-cobalt(iii)","","- C24 H21 Co N2 O3 -","- C24 H21 Co N2 O3 -","- C96 H84 Co4 N8 O12 -","4","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.0316","0.0277","","","0.0672","0.0695","","","","","","1.045","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706907","13.7674","0.0009","6.5594","0.0003","17.6429","0.001","90","","93.879","0.006","90","","1589.61","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N,N'-Ethylene-bis(salicylideneiminato))-nitro-cobalt(iii)-aqua","","- C16 H16 Co N3 O5 -","- C16 H16 Co N3 O5 -","- C64 H64 Co4 N12 O20 -","4","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.0749","0.0701","","","0.1842","0.1923","","","","","","1.056","","","","has coordinates,has disorder","266066","2021-06-05","18:48:04",""
"7706908","7.7899","0.0002","8.7278","0.0002","13.7362","0.0003","72.008","0.002","74.808","0.002","79.89","0.002","852.63","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Ethylene-bis(salicylideneiminato))-nitro-cobalt(iii)","","- C16 H14 Co N3 O4 -","- C16 H14 Co N3 O4 -","- C32 H28 Co2 N6 O8 -","2","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.0418","0.0397","","","0.1056","0.1073","","","","","","1.058","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706909","9.143","0.0008","9.8383","0.0008","11.1689","0.0007","115.062","0.007","100.862","0.007","93.188","0.008","883.35","0.14","293","2","292","2","","","","","","","","5","P -1","-P 1","2","","(N,N'-Ethylene-bis(salicylideneiminato))-acetonyl-cobalt(iii)-aqua","","- C19 H21 Co N2 O4 -","- C19 H21 Co N2 O4 -","- C38 H42 Co2 N4 O8 -","2","1","","Møller, Mads Sondrup; Kongsted, Jacob; McKenzie, Christine J.","Preparation of organocobalt(iii) complexes via O<sub>2</sub> activation.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4819","4829","10.1039/d1dt00563d","","","1.54184","CuKα","","0.184","0.0993","","","0.2502","0.3481","","","","","","1.013","","","","has coordinates","266066","2021-06-05","18:48:04",""
"7706910","10.4002","0.0006","16.5542","0.0009","22.9563","0.0013","90","","95.379","0.002","90","","3934.9","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Fe K N2 O Si2 -","- C34 H62 Fe K N2 O Si2 -","- C136 H248 Fe4 K4 N8 O4 Si8 -","4","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","","0.71073","MoKα","","0.0299","0.0299","","","0.0296","0.0296","","","","","","1.057","","","","has coordinates","264903","2021-05-05","08:41:33",""
"7706911","20.857","0.003","13.086","0.002","19.863","0.003","90","","117.192","0.01","90","","4822.1","1.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C176 H288 Fe4 K4 N24 Si8 -","- C176 H288 Fe4 K4 N24 Si8 -","- C176 H288 Fe4 K4 N24 Si8 -","1","0.125","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0848","0.0634","","","0.1572","0.1679","","","","","","0.938","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706912","22.775","0.0014","22.3023","0.0013","17.1996","0.001","90","","90","","90","","8736.3","0.9","100","","99.99","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H76 Cr K N2 Si2 -","- C42 H76 Cr K N2 Si2 -","- C336 H608 Cr8 K8 N16 Si16 -","8","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","","0.71073","MoKα","","0.0895","0.0562","","","0.1031","0.1112","","","","","","1.044","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706913","10.7553","0.0006","19.9389","0.0008","22.5989","0.0011","90","","90","","90","","4846.3","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C184 H352 Co4 N12 Si8 -","- C184 H352 Co4 N12 Si8 -","- C184 H352 Co4 N12 Si8 -","1","0.25","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0317","0.0286","","","0.072","0.0731","","","","","","1.041","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706914","11.8776","0.0006","14.0736","0.0007","14.4037","0.0007","115.309","0.002","91.001","0.002","110.473","0.002","1999.11","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Fe K N2 Si2 -","- C30 H52 Fe K N2 Si2 -","- C60 H104 Fe2 K2 N4 Si4 -","2","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.034","0.0296","","","0.0835","0.0851","","","","","","1.07","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706915","24.6815","0.0011","25.6246","0.0011","15.9053","0.0007","90","","128.381","0.001","90","","7885.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H60 Co K N2 Si2 -","- C37 H60 Co K N2 Si2 -","- C296 H480 Co8 K8 N16 Si16 -","8","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","","0.71073","MoKα","","0.0508","0.0399","","","0.0788","0.0817","","","","","","1.211","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706916","18.298","0.002","13.827","0.001","21.446","0.003","90","","114.323","0.01","90","","4944.4","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C184 H352 Fe4 N12 Si8 -","- C184 H352 Fe4 N12 Si8 -","- C184 H352 Fe4 N12 Si8 -","1","0.25","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0807","0.0405","","","0.0789","0.0887","","","","","","1.013","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706917","10.3333","0.0007","34.0397","0.0014","15.5254","0.0009","90","","95.062","0.005","90","","5439.6","0.5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C184 H344 Fe4 K4 N8 O28 Si8 -","- C184 H344 Fe4 K4 N8 O28 Si8 -","- C184 H344 Fe4 K4 N8 O28 Si8 -","1","0.25","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0648","0.0422","","","0.107","0.1171","","","","","","1.045","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706918","11.886","0.002","14.19","0.002","17.464","0.003","93.33","0.005","95.457","0.005","97.74","0.005","2897.9","0.8","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H98 Cr K N2 O3 Si2 -","- C54 H98 Cr K N2 O3 Si2 -","- C108 H196 Cr2 K2 N4 O6 Si4 -","2","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.1333","0.1314","","","0.277","0.2779","","","","","","1.182","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7706919","12.392","0.003","13.002","0.003","18.053","0.003","71.086","0.015","76.889","0.016","70.636","0.015","2572.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H86 Fe N2 Na O7 Si2 -","- C46 H86 Fe N2 Na O7 Si2 -","- C92 H172 Fe2 N4 Na2 O14 Si4 -","2","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.1415","0.0828","","","0.2018","0.2306","","","","","","0.909","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7706920","17.649","0.0009","18.4355","0.0009","19.6687","0.0011","90","","93.54","0.002","90","","6387.4","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H70 K2 Mn2 O2 -","- C78 H70 K2 Mn2 O2 -","- C312 H280 K8 Mn8 O8 -","4","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","","0.71073","MoKα","","0.1366","0.0829","","","0.1868","0.2107","","","","","","1.04","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7706921","12.905","0.011","13.215","0.008","14.36","0.009","104.35","0.05","107.84","0.06","105.11","0.06","2103","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H103 K2 Mn2 N2 O4 Si2 -","- C74 H103 K2 Mn2 N2 O4 Si2 -","- C74 H103 K2 Mn2 N2 O4 Si2 -","1","0.5","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.1224","0.0868","","","0.2314","0.2483","","","","","","0.949","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7706922","11.6888","0.0008","14.5127","0.001","16.4126","0.0012","70.55","0.002","83.481","0.002","77.315","0.002","2558.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H84 Fe Li N2 O8 Si2 -","- C46 H84 Fe Li N2 O8 Si2 -","- C92 H168 Fe2 Li2 N4 O16 Si4 -","2","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0979","0.0826","","","0.1912","0.1996","","","","","","1.098","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706923","11.0677","0.0006","13.4596","0.0007","22.132","0.0011","83.532","0.002","88.471","0.002","87.653","0.002","3272.4","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","GW12","","","- C64 H102 Fe K N2 O8 Si2 -","- C64 H102 Fe K N2 O8 Si2 -","- C128 H204 Fe2 K2 N4 O16 Si4 -","2","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0508","0.0367","","","0.0731","0.0773","","","","","","1.043","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706924","10.4506","0.0004","18.1974","0.0007","23.8299","0.0009","90","","97.112","0.001","90","","4497","0.3","100","2","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H40 Fe K -","- C56 H40 Fe K -","- C224 H160 Fe4 K4 -","4","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0572","0.0411","","","0.0897","0.0952","","","","","","1.045","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7706925","19.3467","0.0007","11.2945","0.0004","21.4705","0.0009","90","","102.473","0.0013","90","","4580.8","0.3","110","2","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 Fe K O -","- C60 H50 Fe K O -","- C240 H200 Fe4 K4 O4 -","4","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","","0.71073","MoKα","","0.047","0.0368","","","0.087","0.092","","","","","","1.029","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706926","17.2978","0.0007","23.0874","0.0009","34.2506","0.0014","90","","90","","90","","13678.4","1","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C62 H116 Cr K N2 O8 Si2 -","- C61.999 H115.998 Cr K N2 O8 Si2 -","- C495.992 H927.984 Cr8 K8 N16 O64 Si16 -","8","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0544","0.0364","","","0.0723","0.0781","","","","","","1.054","","","","has coordinates,has disorder","264903","2021-05-05","08:41:34",""
"7706927","11.6778","0.0006","17.5423","0.0009","17.8495","0.0008","90","","108.652","0.002","90","","3464.5","0.3","100","","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 K Mn N2 Si2 -","- C30 H52 K Mn N2 Si2 -","- C120 H208 K4 Mn4 N8 Si8 -","4","1","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0509","0.0357","","","0.0767","0.0824","","","","","","1.0112","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706928","6.7905","0.0012","9.2047","0.0016","11.672","0.002","103.573","0.005","106.316","0.006","105.106","0.005","637.6","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H10 N6 O9 Zn -","- C6 H10 N6 O9 Zn -","- C12 H20 N12 O18 Zn2 -","2","1","","Wang, Dandan; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Zn(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>2</sub>·3H<sub>2</sub>O: the first single-<i>d</i><sup>10</sup> transition metal based ultraviolet hydroisocyanurate crystal with large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5617","5623","10.1039/d1dt00793a","","","0.71073","MoKα","","0.052","0.0392","","","0.0859","0.0936","","","","","","1.059","","","","has coordinates","266028","2021-06-05","18:37:19",""
"7706929","9.6059","0.0003","12.8591","0.0004","14.7624","0.0005","90","","93.313","0.001","90","","1820.45","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Fe O P -","- C23 H19 Fe O P -","- C92 H76 Fe4 O4 P4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0298","0.0254","","","0.0649","0.067","","","","","","1.049","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706930","9.7769","0.0005","12.7459","0.0007","12.9436","0.0007","111.318","0.002","111.032","0.002","94.681","0.002","1360.15","0.13","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H31 Cl Fe O2 P2 Pd -","- C28 H31 Cl Fe O2 P2 Pd -","- C56 H62 Cl2 Fe2 O4 P4 Pd2 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0202","0.0185","","","0.0467","0.0475","","","","","","1.067","","","","has coordinates,has disorder","266093","2021-06-05","18:56:47",""
"7706931","8.5435","0.0007","9.963","0.0009","14.3031","0.0012","108.712","0.003","92.984","0.003","98.23","0.003","1134.99","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H44 Cl2 Fe2 O4 P2 Pd2 -","- C46 H36 Cl2 Fe2 O2 P2 Pd2 -","- C46 H36 Cl2 Fe2 O2 P2 Pd2 -","1","0.5","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.037","0.0304","","","0.0776","0.081","","","","","","1.05","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706932","8.652","0.0004","9.995","0.0004","14.4343","0.0006","108.735","0.002","95.248","0.002","97.272","0.002","1160.93","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H44 Br2 Fe2 O2 P2 Pd2 -","- C46 H36 Br2 Fe2 O2 P2 Pd2 -","- C46 H36 Br2 Fe2 O2 P2 Pd2 -","1","0.5","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0374","0.0335","","","0.0833","0.0861","","","","","","1.06","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706933","9.7609","0.0003","9.8375","0.0003","15.1599","0.0004","91.105","0.001","101.835","0.001","102.583","0.001","1387.41","0.07","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H31 Fe I O2 P2 Pd -","- C28 H31 Fe I O2 P2 Pd -","- C56 H62 Fe2 I2 O4 P4 Pd2 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0156","0.0151","","","0.0359","0.0362","","","","","","1.07","","","","has coordinates,has disorder","266093","2021-06-05","18:56:47",""
"7706934","17.1059","0.0007","10.5682","0.0004","23.8749","0.0008","90","","106.82","0.001","90","","4131.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 Cl Fe O P2 Pd -","- C41 H33 Cl Fe O P2 Pd -","- C164 H132 Cl4 Fe4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0416","0.028","","","0.0586","0.0625","","","","","","1.016","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706935","9.7147","0.0003","8.3983","0.0002","22.3979","0.0007","90","","91.87","0.001","90","","1826.4","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Fe O2 P -","- C23 H19 Fe O2 P -","- C92 H76 Fe4 O8 P4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0265","0.0249","","","0.0635","0.0645","","","","","","1.064","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706936","9.5729","0.0006","24.3656","0.0015","9.351","0.0006","90","","116.444","0.002","90","","1952.9","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Fe O P Se -","- C23 H19 Fe O P Se -","- C92 H76 Fe4 O4 P4 Se4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0226","0.0215","","","0.0507","0.0512","","","","","","1.121","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706937","9.4321","0.0004","24.134","0.0008","9.3836","0.0003","90","","116.498","0.001","90","","1911.64","0.12","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Fe O P S -","- C23 H19 Fe O P S -","- C92 H76 Fe4 O4 P4 S4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0296","0.0263","","","0.0618","0.0631","","","","","","1.075","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706938","14.3362","0.0003","18.996","0.0004","19.306","0.0004","90","","104.219","0.001","90","","5096.54","0.19","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br Fe O P2 Pd -","- C26 H27 Br Fe O P2 Pd -","- C208 H216 Br8 Fe8 O8 P16 Pd8 -","8","2","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0262","0.0231","","","0.0578","0.0593","","","","","","1.047","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706939","10.4131","0.0005","13.2889","0.0006","13.9654","0.0006","98.02","0.002","96.468","0.002","103.875","0.002","1836.19","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H51 Cl Fe O P2 Pd -","- C41 H51 Cl Fe O P2 Pd -","- C82 H102 Cl2 Fe2 O2 P4 Pd2 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0274","0.0217","","","0.0498","0.0522","","","","","","1.038","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706940","11.161","0.002","12.7449","0.0019","17.603","0.003","90","","104.674","0.006","90","","2422.3","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Fe O3 P Pd -","- C28 H25 Fe O3 P Pd -","- C112 H100 Fe4 O12 P4 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0423","0.0366","","","0.0976","0.1032","","","","","","1.104","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706941","8.9972","0.0004","38.285","0.0016","9.9331","0.0004","90","","116.703","0.001","90","","3056.6","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C37 H30 Fe O3 P2 Pd -","- C37 H30 Fe O3 P2 Pd -","- C148 H120 Fe4 O12 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0165","0.0164","","","0.041","0.0411","","","","","","1.115","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706942","18.0418","0.0004","10.4741","0.0003","21.5596","0.0004","90","","90.629","0.001","90","","4073.91","0.17","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H48 Cl Fe N2 O P Pd -","- C47.5 H48 Cl Fe N2 O P Pd -","- C190 H192 Cl4 Fe4 N8 O4 P4 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0484","0.0339","","","0.0644","0.0703","","","","","","1.038","","","","has coordinates,has disorder","266093","2021-06-05","18:56:47",""
"7706943","15.5171","0.0005","16.0612","0.0005","10.5449","0.0004","90","","96.74","0.001","90","","2609.87","0.15","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl Fe N2 O P Pd -","- C30 H28 Cl Fe N2 O P Pd -","- C120 H112 Cl4 Fe4 N8 O4 P4 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.024","0.0232","","","0.0612","0.0618","","","","","","1.088","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706944","8.5645","0.0002","9.8056","0.0003","13.6065","0.0004","103.482","0.001","101.283","0.001","95.979","0.001","1076.19","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 Fe O P Pd -","- C26 H23 Fe O P Pd -","- C52 H46 Fe2 O2 P2 Pd2 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0223","0.0204","","","0.0485","0.0495","","","","","","1.071","","","","has coordinates,has disorder","266093","2021-06-05","18:56:47",""
"7706945","10.2842","0.0005","10.2936","0.0006","15.9676","0.0012","97.438","0.003","99.402","0.003","111.776","0.002","1514.96","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H34 Fe O P2 Pd -","- C35 H34 Fe O P2 Pd -","- C70 H68 Fe2 O2 P4 Pd2 -","2","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0318","0.0283","","","0.0637","0.0663","","","","","","1.089","","","","has coordinates,has disorder","266093","2021-06-05","18:56:47",""
"7706946","9.7651","0.0004","19.2606","0.0007","14.2575","0.0006","90","","108.071","0.002","90","","2549.3","0.18","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Fe O P2 Pd -","- C27 H30 Fe O P2 Pd -","- C108 H120 Fe4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0194","0.0187","","","0.0457","0.0461","","","","","","1.124","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706947","10.9479","0.0004","19.344","0.0007","13.8498","0.0005","90","","96.491","0.001","90","","2914.26","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Fe O P2 Pd -","- C33 H34 Fe O P2 Pd -","- C132 H136 Fe4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0257","0.0222","","","0.0517","0.0531","","","","","","1.059","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706948","8.5031","0.0003","28.5338","0.0009","13.2495","0.0005","90","","105.104","0.001","90","","3103.62","0.19","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Fe O P2 Pd -","- C35 H36 Fe O P2 Pd -","- C140 H144 Fe4 O4 P8 Pd4 -","4","1","","Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr","Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6232","6244","10.1039/d1dt00668a","","","0.71073","MoKα","","0.0555","0.0499","","","0.1116","0.1142","","","","","","1.226","","","","has coordinates","266093","2021-06-05","18:56:47",""
"7706949","8.6846","0.0002","11.2757","0.0003","28.9903","0.0006","90","","90","","90","","2838.87","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 B F5 O4 -","- C34 H28 B F5 O4 -","- C136 H112 B4 F20 O16 -","4","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","x-ray","1.54184","CuKα","","0.0656","0.0437","","","0.0927","0.1009","","","","","","0.99","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706950","11.5215","0.0017","14.608","0.002","14.677","0.002","62.145","0.002","87.982","0.002","66.868","0.002","1974.7","0.5","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- C105 H84 B2 N2 O6 -","- C105 H84 B2 N2 O6 -","- C105 H84 B2 N2 O6 -","1","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","0.71073","MoKα","","0.0515","0.0394","","","0.0806","0.0862","","","","","","1.03","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706951","10.0487","0.001","12.5685","0.0013","22.072","0.002","90","","90","","90","","2787.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 B F5 O3 P -","- C32 H27 B F5 O3 P -","- C128 H108 B4 F20 O12 P4 -","4","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","0.71073","MoKα","","0.027","0.0257","","","0.0644","0.0653","","","","","","1.026","","","","has coordinates","266059","2021-06-05","18:46:15",""
"7706952","15.525","0.003","11.785","0.002","23.532","0.005","90","","108.241","0.004","90","","4089.1","1.4","100","2","100.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C52 H24 B2 F10 O4 -","- C52 H24 B2 F10 O4 -","- C208 H96 B8 F40 O16 -","4","2","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","0.71073","MoKα","","0.0908","0.0598","","","0.1098","0.1221","","","","","","1.014","","","","has coordinates","266059","2021-06-05","18:46:15",""
"7706953","11.1617","0.0001","14.9858","0.0002","15.9416","0.0002","65.773","0.001","82.04","0.001","68.445","0.001","2261.36","0.05","99.9","0.4","99.9","0.4","","","","","","","","5","P 1","P 1","1","","","","- C114 H108 B2 N2 O14 -","- C114 H108 B2 N2 O14 -","- C114 H108 B2 N2 O14 -","1","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","x-ray","1.54184","CuKα","","0.0397","0.0367","","","0.0944","0.0966","","","","","","1.028","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706954","10.9371","0.0001","19.1375","0.0001","12.8579","0.0001","90","","92.182","0.001","90","","2689.32","0.04","100","0.2","100","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H62 B Cl4 N4 O4 P -","- C58.001 H62.002 B Cl4.002 N4 O4 P -","- C116.002 H124.004 B2 Cl8.004 N8 O8 P2 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","x-ray","1.54184","CuKα","","0.0366","0.0361","","","0.0931","0.0937","","","","","","1.007","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706955","7.58","0.0002","15.1022","0.0004","19.116","0.0004","98.515","0.002","97.647","0.002","92.998","0.002","2139.13","0.09","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H24 B2 F10 O4 -","- C52 H24 B2 F10 O4 -","- C104 H48 B4 F20 O8 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","1.54178","CuKα","","0.0615","0.0508","","","0.1382","0.1461","","","","","","1.051","","","","has coordinates","266059","2021-06-05","18:46:15",""
"7706956","26.418","0.003","26.418","0.003","47.872","0.005","90","","90","","120","","28934","6","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C1098 H855 Ag78 Br21 Cu12 F18 P48 -","- C1098 H855 Ag78 Br21 Cu12 F18 P48 -","- C1098 H855 Ag78 Br21 Cu12 F18 P48 -","1","0.111111","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.1002","0.0689","","","0.1842","0.2069","","","","","","1.119","","","","has coordinates","264898","2021-05-05","08:37:59",""
"7706957","19.005","0.008","19.005","","70.25","0.03","90","","90","","120","","21974","13","173","0.2","173","0.2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","20180728_mikami_R3c","","","- C966 H768 Ag36 B12 Cl72 Cu12 F48 P36 -","- C966 H768 Ag36 B12 Cl72 Cu12 F48 P36 -","- C966 H768 Ag36 B12 Cl72 Cu12 F48 P36 -","1","0.0277778","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0502","0.0419","","","0.1147","0.1237","","","","","","1.06","","","","has coordinates","264898","2021-05-05","08:38:09",""
"7706958","19.036","","19.036","","71.299","","90","","90","","120","","22375.1","","173","2","173","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C165 H138 Ag6 B2 Cl6 Cu2 F8 P6 -","- C165 H138 Ag6 B2 Cl6 Cu2 F8 P6 -","- C990 H828 Ag36 B12 Cl36 Cu12 F48 P36 -","6","0.166667","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0552","0.0451","","","0.1097","0.1224","","","","","","1.101","","","","has coordinates,has disorder","264898","2021-05-05","08:38:18",""
"7706959","26.339","0.004","26.339","","47.891","0.008","90","","90","","120","","28773","6","173","2","173","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C378 H309 Ag26 B3 Cl7 Cu4 F12 P15 -","- C378 H309 Ag26 B3.004 Cl7 Cu4 F12.016 P15 -","- C1134 H927 Ag78 B9.012 Cl21 Cu12 F36.048 P45 -","3","0.333333","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0828","0.0548","","","0.1308","0.1459","","","","","","1.07","","","","has coordinates,has disorder","264898","2021-05-05","08:38:21",""
"7706960","26.548","0.013","26.548","","48.43","0.02","90","","90","","120","","29560","19","173","2","173","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C383 H319 Ag26 Br17 Cu4 F18 P18 -","- C382.999 H318.998 Ag26 Br16.9984 Cu4 F18.006 P18.001 -","- C1149 H956.995 Ag78 Br50.9952 Cu12 F54.018 P54.003 -","3","0.333333","","Mikami, Kaiyu; Hui, Shen; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","The [Ag<sub>25</sub>Cu<sub>4</sub>H<sub>8</sub>Br<sub>6</sub>(CCPh)<sub>12</sub>(PPh<sub>3</sub>)<sub>12</sub>]<sup>3+</sup> : Ag<sub>13</sub>H<sub>8</sub> silver hydride core protected by [CuAg<sub>3</sub>(CCPh)<sub>3</sub>(PPh<sub>3</sub>)<sub>3</sub>]<sup>+</sup> motifs.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5659","5665","10.1039/d1dt00294e","","","0.71073","MoKa","","0.0742","0.0592","","","0.1715","0.1814","","","","","","1.005","","","","has coordinates,has disorder","264898","2021-05-05","08:38:31",""
"7706961","8.0272","0.0016","17.522","0.004","22.872","0.005","69.48","0.03","83.85","0.03","81.25","0.03","2972.8","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H48 N6 O2 S -","- C58 H48 N6 O2 S -","- C116 H96 N12 O4 S2 -","2","1","","Kumar, Sandeep; Acharyya, Jitendra Nath; Banerjee, Dipanjan; Soma, Venugopal Rao; Vijaya Prakash, G.; Sankar, Muniappan","Strong two-photon absorption and ultrafast dynamics of meso-functionalized ""push-pull""trans-A<sub>2</sub>BC porphyrins.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6256","6272","10.1039/d1dt00378j","","","0.71073","MoKα","","0.1632","0.1395","","","0.3656","0.3857","","","","","","1.533","","","","has coordinates,has disorder","266086","2021-06-05","18:53:47",""
"7706962","14.8849","0.0002","33.6403","0.0005","15.7252","0.0002","90","","98.895","0.002","90","","7779.42","0.19","120.3","0.6","120.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23.5 Cl2 Co N14.5 O8 -","- C27 H23.5 Cl2 Co N14.5 O8 -","- C216 H188 Cl16 Co8 N116 O64 -","8","2","","Palacios-Corella, M; García-López, V; Sánchez-Sánchez, C; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Insertion of single-ion magnets based on mononuclear Co(II) complexes into ferromagnetic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5931","5942","10.1039/d1dt00595b","","","0.71073","MoKα","","0.085","0.0542","","","0.129","0.1455","","","","","","1.043","","","","has coordinates,has disorder","266005","2021-06-05","18:31:48",""
"7706963","10.0029","0.0004","11.8949","0.0004","12.542","0.0004","65.515","0.003","78.397","0.003","82.037","0.003","1327.79","0.09","120","0.1","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cl2 Co N10 O9 -","- C19 H22 Cl2 Co N10 O9 -","- C38 H44 Cl4 Co2 N20 O18 -","2","1","","Palacios-Corella, M; García-López, V; Sánchez-Sánchez, C; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Insertion of single-ion magnets based on mononuclear Co(II) complexes into ferromagnetic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5931","5942","10.1039/d1dt00595b","","","0.71073","MoKα","","0.048","0.0375","","","0.0818","0.0884","","","","","","1.028","","","","has coordinates,has disorder","266005","2021-06-05","18:31:49",""
"7706964","27.6225","0.0011","15.5013","0.0003","28.2471","0.0012","90","","117.388","0.005","90","","10739.3","0.8","120","0.14","120","0.02","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H37 Co1.5 Cr3 Mn3 N21 O38 -","- C57 H37 Co1.5 Cr3 Mn3 N21 O38 -","- C228 H148 Co6 Cr12 Mn12 N84 O152 -","4","1","","Palacios-Corella, M; García-López, V; Sánchez-Sánchez, C; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Insertion of single-ion magnets based on mononuclear Co(II) complexes into ferromagnetic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5931","5942","10.1039/d1dt00595b","","","0.71073","MoKα","","0.2659","0.1445","","","0.3823","0.4658","","","","","","1.049","","","","has coordinates,has disorder","266005","2021-06-05","18:31:49",""
"7706965","19.4566","0.0008","15.5539","0.0006","22.9545","0.0009","90","","90","","90","","6946.6","0.5","120","2","120.15","","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C39 H25 Co Cr2 Mn2 N15 O33 -","- C38 H22 Co Cr2 Mn2 N14 O24 -","- C152 H88 Co4 Cr8 Mn8 N56 O96 -","4","0.5","","Palacios-Corella, M; García-López, V; Sánchez-Sánchez, C; Clemente-Juan, J M; Clemente-León, M; Coronado, E.","Insertion of single-ion magnets based on mononuclear Co(II) complexes into ferromagnetic oxalate-based networks.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5931","5942","10.1039/d1dt00595b","","","0.71073","MoKα","","0.2034","0.0846","","","0.2552","0.2988","","","","","","1.017","","","","has coordinates","266005","2021-06-05","18:31:49",""
"7706966","6.15132","0.00013","19.7189","0.0003","52.865","0.0009","90","","90","","90","","6412.4","0.2","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Co N3 O3 -","- C23 H26 Co N3 O3 -","- C276 H312 Co12 N36 O36 -","12","3","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0818","0.0611","","","0.1108","0.119","","","","","","1.098","","","","has coordinates","266043","2021-06-05","18:42:15",""
"7706967","10.46816","0.00018","10.86892","0.00015","11.7321","0.00018","90","","91.3805","0.0016","90","","1334.46","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Co N3 O2 S -","- C28 H31 Co N3 O2 S -","- C56 H62 Co2 N6 O4 S2 -","2","1","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.041","0.0328","","","0.073","0.0764","","","","","","1.038","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706968","11.83518","0.00011","11.45668","0.00012","16.88113","0.00015","90","","102.335","0.0009","90","","2236.1","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H26 Co I N3 O2 -","- C22 H26 Co I N3 O2 -","- C88 H104 Co4 I4 N12 O8 -","4","2","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0318","0.0271","","","0.0505","0.0522","","","","","","1.043","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706969","10.4793","0.0002","14.5506","0.0003","16.9441","0.0004","90","","91.139","0.002","90","","2583.13","0.09","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H35 Co N3 O3 Si -","- C25 H35 Co N3 O3 Si -","- C100 H140 Co4 N12 O12 Si4 -","4","2","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0674","0.047","","","0.1033","0.1131","","","","","","1.028","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706970","9.30263","0.00012","8.28334","0.00008","16.9709","0.0002","90","","103.224","0.0013","90","","1273.05","0.03","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H35 Co N3 O2 P -","- C25 H35 Co N3 O2 P -","- C50 H70 Co2 N6 O4 P2 -","2","1","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0309","0.0281","","","0.065","0.0662","","","","","","1.044","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706971","12.2841","0.0002","6.01267","0.00011","17.83","0.0003","90","","100.466","0.0019","90","","1295.02","0.04","120","1","120","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H30 Co F N3 O2 -","- C30 H30 Co F N3 O2 -","- C60 H60 Co2 F2 N6 O4 -","2","1","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0532","0.0403","","","0.0748","0.0801","","","","","","1.046","","","","has coordinates","266043","2021-06-05","18:42:16",""
"7706972","10.37052","0.00017","14.5624","0.0002","16.5891","0.0004","90","","90.6321","0.0017","90","","2505.13","0.08","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Co N3 O3 -","- C26 H35 Co N3 O3 -","- C104 H140 Co4 N12 O12 -","4","2","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0448","0.0367","","","0.0836","0.0879","","","","","","1.016","","","","has coordinates,has disorder","266043","2021-06-05","18:42:16",""
"7706973","6.913","0.0001","12.341","0.0002","12.639","0.0002","114.801","0.001","93.946","0.001","103.776","0.001","933.1","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H21 Cl N8 Ni O8 -","- C11 H21 Cl N8 Ni O8 -","- C22 H42 Cl2 N16 Ni2 O16 -","2","1","","Reczyński, Mateusz; Akaki, Mitsuru; Fukuda, Takamitsu; Sawada, Yuya; Nishii, Kengo; Hagiwara, Masayuki; Nitek, Wojciech; Sieklucka, Barbara; Nowicka, Beata","Hepta-coordinated Ni(II) assemblies - structure and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5251","5261","10.1039/d1dt00479d","","","0.71073","MoKα","","0.0231","0.0217","","","0.0523","0.0532","","","","","","1.031","","","","has coordinates","266076","2021-06-05","18:51:38",""
"7706974","7.974","0.006","16.537","0.013","15.153","0.012","90","","101.96","0.03","90","","1955","3","118","2","118","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N9 Ni O2 S2 -","- C13 H15 N9 Ni O2 S2 -","- C52 H60 N36 Ni4 O8 S8 -","4","1","","Reczyński, Mateusz; Akaki, Mitsuru; Fukuda, Takamitsu; Sawada, Yuya; Nishii, Kengo; Hagiwara, Masayuki; Nitek, Wojciech; Sieklucka, Barbara; Nowicka, Beata","Hepta-coordinated Ni(II) assemblies - structure and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5251","5261","10.1039/d1dt00479d","","","0.71073","MoKα","","0.0724","0.0429","","","0.092","0.1024","","","","","","1.015","","","","has coordinates","266076","2021-06-05","18:51:38",""
"7706975","10.816","0.0003","15.614","0.0004","15.705","0.0003","92.041","0.002","94.641","0.002","104.223","0.002","2558.32","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H56 N22 Ni2 O17 W -","- C30 H38 N22 Ni2 O17 W -","- C60 H76 N44 Ni4 O34 W2 -","2","1","","Reczyński, Mateusz; Akaki, Mitsuru; Fukuda, Takamitsu; Sawada, Yuya; Nishii, Kengo; Hagiwara, Masayuki; Nitek, Wojciech; Sieklucka, Barbara; Nowicka, Beata","Hepta-coordinated Ni(II) assemblies - structure and magnetic studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5251","5261","10.1039/d1dt00479d","","","0.71073","MoKα","","0.0585","0.0439","","","0.1041","0.1135","","","","","","1.055","","","","has coordinates,has disorder","266076","2021-06-05","18:51:38",""
"7706976","14.4819","0.0005","11.7216","0.0004","17.3304","0.0006","90","","92.816","0.001","90","","2938.3","0.18","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 B9 N2 Ni O P -","- C26 H38 B9 N2 Ni O P -","- C104 H152 B36 N8 Ni4 O4 P4 -","4","1","","Stogniy, Marina Yu; Erokhina, Svetlana A.; Suponitsky, Kirill Yu; Markov, Vitaliy Yu; Sivaev, Igor B.","Synthesis and crystal structures of nickel(ii) and palladium(ii) complexes with o-carboranyl amidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4967","4975","10.1039/d1dt00373a","","","0.71073","MoKα","","0.0487","0.0343","","","0.081","0.0887","","","","","","1.03","","","","has coordinates","266062","2021-06-05","18:47:06",""
"7706977","12.8393","0.0004","16.6197","0.0005","18.0013","0.0007","90","","109.295","0.001","90","","3625.5","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9.5 H27 B9 Cl N3 Ni -","- C9.5 H27 B9 Cl N3 Ni -","- C76 H216 B72 Cl8 N24 Ni8 -","8","1","","Stogniy, Marina Yu; Erokhina, Svetlana A.; Suponitsky, Kirill Yu; Markov, Vitaliy Yu; Sivaev, Igor B.","Synthesis and crystal structures of nickel(ii) and palladium(ii) complexes with o-carboranyl amidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4967","4975","10.1039/d1dt00373a","","","0.71073","MoKα","","0.0381","0.0299","","","0.0737","0.0785","","","","","","1.018","","","","has coordinates,has disorder","266062","2021-06-05","18:47:06",""
"7706978","10.1055","0.0002","9.5283","0.0002","17.8737","0.0004","90","","90.4805","0.0008","90","","1720.97","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H26 B9 N3 Pd -","- C9 H26 B9 N3 Pd -","- C36 H104 B36 N12 Pd4 -","4","1","","Stogniy, Marina Yu; Erokhina, Svetlana A.; Suponitsky, Kirill Yu; Markov, Vitaliy Yu; Sivaev, Igor B.","Synthesis and crystal structures of nickel(ii) and palladium(ii) complexes with o-carboranyl amidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4967","4975","10.1039/d1dt00373a","","","0.71073","MoKα","","0.0221","0.0193","","","0.0399","0.0407","","","","","","1.166","","","","has coordinates","266062","2021-06-05","18:47:06",""
"7706979","12.2603","0.0006","12.2603","0.0006","33.2599","0.0016","90","","90","","120","","4329.7","0.4","100","2","100","","","","","","","","","6","P 65","P 65","170","","Tris((1R,2R)-(+)-1,2-diaminocyclohexane)Chromium(III)ChloridePentahydrate","","- C18 H52 Cl3 Cr N6 O5 -","- C18 H52 Cl3 Cr N6 O5 -","- C108 H312 Cl18 Cr6 N36 O30 -","6","1","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.0608","0.0561","","","0.1251","0.1288","","","","","","1.081","","","","has coordinates,has disorder","266080","2021-06-05","18:52:31",""
"7706980","12.2492","0.0005","12.2492","0.0005","33.5991","0.0016","90","","90","","120","","4365.9","0.3","100","2","99.99","","","","","","","","","6","P 61","P 61","169","","Tris((1S,2S)-(+)-1,2-diaminocyclohexane)Chromium(III)ChloridePentahydrate","","- C18 H52 Cl3 Cr N6 O5 -","- C18 H52 Cl3 Cr N6 O5 -","- C108 H312 Cl18 Cr6 N36 O30 -","6","1","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.065","0.056","","","0.1362","0.1472","","","","","","1.097","","","","has coordinates","266080","2021-06-05","18:52:32",""
"7706981","28.4948","0.0019","12.0595","0.0007","14.7903","0.0008","90","","121.059","0.003","90","","4353.8","0.5","154.01","","154.01","","","","","","","","","6","C 1 c 1","C -2yc","9","","Tris(1,3-propanediamine)Chromium(III)Chloride","","- C9 H30 Cl3 Cr N6 O0.12 -","- C10 H37 Cl3 Cr N6 O2.5 -","- C80 H296 Cl24 Cr8 N48 O20 -","8","2","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.0878","0.0667","","","0.1877","0.2117","","","","","","1.077","","","","has coordinates,has disorder","266080","2021-06-05","18:52:32",""
"7706982","12.3901","0.0005","19.3151","0.0008","24.4122","0.0011","90","","104.287","0.002","90","","5661.5","0.4","100.02","","100.02","","","","","","","","","7","P 1 21 1","P 2yb","4","","Tris((1R,2R)-(-)-1,2-diphenylethylenediamine)Chromium(III)Chloride","","- C96 H138 Cl6 Cr2 N12 O9 S2 -","- C96 H138 Cl6 Cr2 N12 O9 S2 -","- C192 H276 Cl12 Cr4 N24 O18 S4 -","2","1","","Campanella, Anthony J.; Nguyen, Manh-Thuong; Zhang, Jun; Ngendahimana, Thacien; Antholine, William E.; Eaton, Gareth R.; Eaton, Sandra S.; Glezakou, Vassiliki-Alexandra; Zadrozny, Joseph M.","Ligand control of low-frequency electron paramagnetic resonance linewidth in Cr(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5342","5350","10.1039/d1dt00066g","","","0.71073","MoKα","","0.1009","0.0853","","","0.2412","0.2622","","","","","","1.04","","","","has coordinates,has disorder","266080","2021-06-05","18:52:32",""
"7706983","29.5012","0.0005","11.5356","0.0002","16.5203","0.0004","90","","91.12","0.001","90","","5621.02","0.19","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H45 Cl2 Cr N4 O -","- C25 H45 Cl2 Cr N4 O -","- C200 H360 Cl16 Cr8 N32 O8 -","8","1","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","0.71073","MoKα","","0.1341","0.0749","","","0.203","0.2457","","","","","","1.003","","","","has coordinates,has disorder","266074","2021-06-05","18:51:00",""
"7706984","11.3221","0.0005","13.1665","0.0006","14.2387","0.0007","64.22","0.002","69.482","0.003","72.759","0.003","1763.82","0.15","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H53 Cl Cr F3 N4 O4 S -","- C30.0018 H53.0044 Cl1.0001 Cr1.0001 F3 N4.0004 O4.0002 S -","- C60.0036 H106.009 Cl2.0002 Cr2.0002 F6 N8.0008 O8.0004 S2 -","2","1","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","1.54178","CuKα","","0.0926","0.0688","","","0.1971","0.2198","","","","","","1.078","","","","has coordinates,has disorder","266074","2021-06-05","18:51:00",""
"7706985","16.7207","0.0008","12.2764","0.0006","17.8968","0.0008","90","","110.33","0.002","90","","3444.8","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Cl Cr F3 N5 O3 S -","- C31 H46 Cl Cr F3 N5 O3 S -","- C124 H184 Cl4 Cr4 F12 N20 O12 S4 -","4","1","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","0.71073","MoKα","","0.0618","0.0399","","","0.0987","0.113","","","","","","1.02","","","","has coordinates,has disorder","266074","2021-06-05","18:51:00",""
"7706986","9.838","0.002","13.224","0.004","17.386","0.004","93.298","0.016","105.918","0.016","107.43","0.016","2051.1","0.9","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H45 Cl4 Cr F3 N5 O3 S -","- C35 H45 Cl4 Cr F3 N5 O3 S -","- C70 H90 Cl8 Cr2 F6 N10 O6 S2 -","2","1","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","0.71073","MoKα","","0.0496","0.0422","","","0.1187","0.1253","","","","","","1.032","","","","has coordinates","266074","2021-06-05","18:51:00",""
"7706987","15.3929","0.0015","13.5965","0.0012","22.0346","0.0016","90","","109.307","0.006","90","","4352.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Cr F3 N4 O3 S -","- C41 H62 Cr F3 N4 O3 S -","- C164 H248 Cr4 F12 N16 O12 S4 -","4","1","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","1.54178","CuKα","","0.1353","0.0754","","","0.1897","0.2331","","","","","","0.917","","","","has coordinates,has disorder","266074","2021-06-05","18:51:00",""
"7706988","24.2698","0.0006","24.2698","0.0006","11.2278","0.0004","90","","90","","120","","5727.4","0.3","150","2","150","2","","","","","","","","8","P -3","-P 3","147","","","","- C89 H150 Cl9 Cr3 F9 N13 O12 S3 -","- C89.0072 H150.003 Cl9.0024 Cr3 F9 N13 O12 S3 -","- C178.014 H300.007 Cl18.0048 Cr6 F18 N26 O24 S6 -","2","0.333333","","Schuman, Ashley J.; Robey, Sarah F. T.; Judkins, Eileen C.; Zeller, Matthias; Ren, Tong","A unique series of chromium(iii) mono-alkynyl complexes supported by tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4936","4943","10.1039/d1dt00707f","","","0.71073","MoKα","","0.0765","0.0553","","","0.1447","0.155","","","","","","1.041","","","","has coordinates,has disorder","266074","2021-06-05","18:51:00",""
"7706989","13.3361","0.0006","13.8643","0.0007","17.3381","0.0012","90","","90.34","","90","","3205.7","0.3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H96 Cl2 N4 Ni4 O17 -","- C52 H96 Cl2 N4 Ni4 O17 -","- C104 H192 Cl4 N8 Ni8 O34 -","2","0.5","","Woodhouse, Sidney S.; Dais, Tyson N.; Payne, Emily H.; Singh, Mukesh K.; Brechin, Euan K.; Plieger, Paul G.","The structural manipulation of a series of Ni<sub>4</sub> defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5318","5326","10.1039/d0dt04286b","","x-ray","1.54187","CuKα","","0.061","0.0584","","","0.1594","0.1681","","","","","","1.051","","","","has coordinates,has disorder","266079","2021-06-05","18:52:17",""
"7706990","9.5697","0.0008","21.0552","0.0014","26.071","0.002","90","","90.155","0.006","90","","5253.1","0.7","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 Cl2.8 F1.2 N4 Ni4 O13 -","- C42 H78 Cl2.8 F1.2 N4 Ni4 O13 -","- C168 H312 Cl11.2 F4.8 N16 Ni16 O52 -","4","1","","Woodhouse, Sidney S.; Dais, Tyson N.; Payne, Emily H.; Singh, Mukesh K.; Brechin, Euan K.; Plieger, Paul G.","The structural manipulation of a series of Ni<sub>4</sub> defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5318","5326","10.1039/d0dt04286b","","x-ray","1.54187","CuKα","","0.1133","0.059","","","0.1666","0.1934","","","","","","1.139","","","","has coordinates,has disorder","266079","2021-06-05","18:52:17",""
"7706991","10.1613","0.0011","20.497","0.002","25.796","0.003","90","","91.181","0.006","90","","5371.6","1","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H78 Cl4 N4 Ni4 O13 -","- C42 H78 Cl4 N4 Ni4 O13 -","- C168 H312 Cl16 N16 Ni16 O52 -","4","1","","Woodhouse, Sidney S.; Dais, Tyson N.; Payne, Emily H.; Singh, Mukesh K.; Brechin, Euan K.; Plieger, Paul G.","The structural manipulation of a series of Ni<sub>4</sub> defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5318","5326","10.1039/d0dt04286b","","x-ray","1.54187","CuKα","","0.2708","0.0941","","","0.1953","0.2527","","","","","","0.863","","","","has coordinates","266079","2021-06-05","18:52:17",""
"7706992","10.9472","0.0008","24.808","0.0006","10.1468","0.0003","90","","109.74","0.008","90","","2593.7","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H74 Cl2 N4 Ni4 O16 -","- C42 H74 Cl2 N4 Ni4 O16 -","- C84 H148 Cl4 N8 Ni8 O32 -","2","0.5","","Woodhouse, Sidney S.; Dais, Tyson N.; Payne, Emily H.; Singh, Mukesh K.; Brechin, Euan K.; Plieger, Paul G.","The structural manipulation of a series of Ni<sub>4</sub> defective dicubanes: Synthesis, X-ray Structures, Magnetic and Computational analyses.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5318","5326","10.1039/d0dt04286b","","x-ray","1.54178","CuKα","","0.082","0.0655","","","0.1751","0.2103","","","","","","1.152","","","","has coordinates","266079","2021-06-05","18:52:17",""
"7706993","8.1033","0.0002","8.7177","0.0002","13.9689","0.0004","97.798","0.001","92.906","0.001","105.175","0.001","939.73","0.04","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N Zr -","- C21 H29 N Zr -","- C42 H58 N2 Zr2 -","2","1","","Hamilton, Elizabeth A.; Kilpatrick, Alexander F. R.; Turner, Zoë R; Fraser, Duncan A. X.; Buffet, Jean-Charles; O'Hare, Dermot","CO<sub>2</sub> activation by permethylpentalene amido zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4494","4498","10.1039/d1dt00770j","","","0.71073","MoKα","","0.0515","0.0396","","","0.0953","0.1017","","","","","","1.087","","","","has coordinates","264900","2021-05-05","08:39:19",""
"7706994","7.3313","0.0001","19.9253","0.0003","20.0116","0.0004","90","","90","","90","","2923.26","0.08","150","2","150","2","","","","","","","","4","P c a n","-P 2n 2c","60","","","","- C38 H38 N2 Zr -","- C38 H38 N2 Zr -","- C152 H152 N8 Zr4 -","4","0.5","","Hamilton, Elizabeth A.; Kilpatrick, Alexander F. R.; Turner, Zoë R; Fraser, Duncan A. X.; Buffet, Jean-Charles; O'Hare, Dermot","CO<sub>2</sub> activation by permethylpentalene amido zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4494","4498","10.1039/d1dt00770j","","","0.71073","MoKα","","0.0653","0.0414","","","0.1099","0.1236","","","","","","1.038","","","","has coordinates","264900","2021-05-05","08:39:19",""
"7706995","8.1146","0.0002","10.0804","0.0003","16.0623","0.0005","82.184","0.002","75.558","0.001","70.826","0.001","1199.67","0.06","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","EH055","","","- C31 H33 N Zr -","- C31 H33 N Zr -","- C62 H66 N2 Zr2 -","2","1","","Hamilton, Elizabeth A.; Kilpatrick, Alexander F. R.; Turner, Zoë R; Fraser, Duncan A. X.; Buffet, Jean-Charles; O'Hare, Dermot","CO<sub>2</sub> activation by permethylpentalene amido zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4494","4498","10.1039/d1dt00770j","","","0.71073","MoKα","","0.0821","0.0517","","","0.1164","0.1286","","","","","","1.033","","","","has coordinates","264900","2021-05-05","08:39:19",""
"7706996","9.024","0.00019","21.6398","0.0005","18.9459","0.0005","90","","96.045","0.002","90","","3679.14","0.15","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N2 O4 Zr -","- C40 H38 N2 O4 Zr -","- C160 H152 N8 O16 Zr4 -","4","1","","Hamilton, Elizabeth A.; Kilpatrick, Alexander F. R.; Turner, Zoë R; Fraser, Duncan A. X.; Buffet, Jean-Charles; O'Hare, Dermot","CO<sub>2</sub> activation by permethylpentalene amido zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4494","4498","10.1039/d1dt00770j","","x-ray","1.54184","CuKα","","0.0838","0.0747","","","0.1949","0.1992","","","","","","1.134","","","","has coordinates","264900","2021-05-05","08:39:19",""
"7706997","9.9054","0.0003","11.1091","0.0003","18.3023","0.0007","90","","92.827","0.003","90","","2011.54","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 Eu N3 O3 -","- C21 H16 Cl2 Eu N3 O3 -","- C84 H64 Cl8 Eu4 N12 O12 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","x-ray","0.71073","MoKα","","0.0458","0.032","","","0.0608","0.068","","","","","","1.038","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7706998","9.8863","0.0006","11.0534","0.0014","18.1992","0.0012","90","","93.259","0.006","90","","1985.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 Er N3 O3 -","- C21 H16 Cl2 Er N3 O3 -","- C84 H64 Cl8 Er4 N12 O12 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","x-ray","0.71073","MoKα","","0.0495","0.0357","","","0.0711","0.0842","","","","","","1.088","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7706999","9.8801","0.0006","11.0521","0.0007","18.2125","0.0011","90","","93.202","0.002","90","","1985.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 Ho N3 O3 -","- C21 H16 Cl2 Ho N3 O3 -","- C84 H64 Cl8 Ho4 N12 O12 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","","0.71073","MoKα","","0.0265","0.0221","","","0.0501","0.0516","","","","","","1.075","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7707000","9.9116","0.0003","11.0963","0.0003","18.2882","0.0005","90","","92.574","0.002","90","","2009.35","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N3 O3 Sm -","- C21 H16 Cl2 N3 O3 Sm -","- C84 H64 Cl8 N12 O12 Sm4 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","x-ray","0.71073","MoKα","","0.0564","0.0372","","","0.0689","0.0781","","","","","","1.067","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7707001","9.8846","0.0006","11.0552","0.0006","18.2127","0.001","90","","93.014","0.002","90","","1987.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 Gd N3 O3 -","- C21 H16 Cl2 Gd N3 O3 -","- C84 H64 Cl8 Gd4 N12 O12 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","","0.71073","MoKα","","0.0215","0.0176","","","0.0558","0.0649","","","","","","1.048","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7707002","9.8681","0.0004","11.0471","0.0004","18.2005","0.0004","90","","93.009","0.003","90","","1981.37","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 Dy N3 O3 -","- C21 H16 Cl2 Dy N3 O3 -","- C84 H64 Cl8 Dy4 N12 O12 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","x-ray","0.71073","MoKα","","0.0494","0.0338","","","0.0733","0.0842","","","","","","1.117","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7707003","9.87834","0.00018","11.02546","0.00019","18.1528","0.0003","90","","93.2424","0.0015","90","","1973.92","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl2 N3 O3 Yb -","- C21 H16 Cl2 N3 O3 Yb -","- C84 H64 Cl8 N12 O12 Yb4 -","4","1","","Yang, Yan; Zhou, Zhen; Wei, Zu-Zhuang; Qin, Qi-Pin; Yang, Lin; Liang, Hong","High anticancer activity and apoptosis- and autophagy-inducing properties of novel lanthanide(III) complexes bearing 8-hydroxyquinoline-<i>N</i>-oxide and 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5828","5834","10.1039/d1dt00450f","","x-ray","0.71073","MoKα","","0.045","0.0315","","","0.0617","0.0689","","","","","","1.041","","","","has coordinates","266010","2021-06-05","18:33:13",""
"7707004","11.3909","0.0012","8.1489","0.0008","13.2933","0.0014","90","","93.862","0.002","90","","1231.1","0.2","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 As F8 Mn N4 O2 -","- C22 H26 As F8 Mn N4 O2 -","- C44 H52 As2 F16 Mn2 N8 O4 -","2","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0365","0.0293","","","0.0718","0.0754","","","","","","1.075","","","","has coordinates","265999","2021-06-05","18:30:36",""
"7707005","11.5522","0.0011","8.1697","0.0008","13.4202","0.0011","90","","94.453","0.002","90","","1262.7","0.2","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 As F8 Mn N4 O2 -","- C22 H26 As F8 Mn N4 O2 -","- C44 H52 As2 F16 Mn2 N8 O4 -","2","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0948","0.0521","","","0.1304","0.1625","","","","","","1.047","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707006","8.5204","0.0011","16.1865","0.0019","17.696","0.002","90","","90","","90","","2440.6","0.5","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 F2 I Mn N4 O2 -","- C22 H26 F2 I Mn N4 O2 -","- C88 H104 F8 I4 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.069","0.0414","","","0.1023","0.1222","","","","","","1.045","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707007","9.5085","0.001","17.3942","0.0018","14.6462","0.0015","90","","104.778","0.002","90","","2342.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B F6 Mn N4 O2 -","- C22 H26 B F6 Mn N4 O2 -","- C88 H104 B4 F24 Mn4 N16 O8 -","4","1","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0322","0.0287","","","0.0687","0.0708","","","","","","1.041","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707008","7.6696","0.0013","16.176","0.003","17.944","0.003","90","","90","","90","","2226.2","0.7","100","2","100.05","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Br0.71 Cl0.29 F2 Mn N4 O2 -","- C22 H26 Br0.711 Cl0.289 F2 Mn N4 O2 -","- C88 H104 Br2.844 Cl1.156 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0362","0.0272","","","0.066","0.0701","","","","","","1.076","","","","has coordinates,has disorder","265999","2021-06-05","18:30:37",""
"7707009","7.867","0.0009","16.136","0.002","17.6938","0.0019","90","","90","","90","","2246.1","0.4","298","2","298","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Cl F2 Mn N4 O2 -","- C22 H26 Cl F2 Mn N4 O2 -","- C88 H104 Cl4 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0952","0.0463","","","0.0892","0.1102","","","","","","1.068","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707010","11.3518","0.0016","8.0856","0.0011","13.2427","0.0018","90","","93.667","0.003","90","","1213","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 F8 Mn N4 O2 P -","- C22 H26 F8 Mn N4 O2 P -","- C44 H52 F16 Mn2 N8 O4 P2 -","2","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0264","0.024","","","0.059","0.0602","","","","","","1.064","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707011","7.9166","0.0016","16.279","0.003","18.585","0.004","90","","90","","90","","2395.1","0.8","100","2","100","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 F2 I Mn N4 O2 -","- C22 H26 F2 I Mn N4 O2 -","- C88 H104 F8 I4 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.1017","0.0759","","","0.1709","0.1845","","","","","","1.182","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707012","7.665","0.003","16.221","0.006","17.762","0.005","90","","90","","90","","2208.4","1.3","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Cl F2 Mn N4 O2 -","- C22 H26 Cl F2 Mn N4 O2 -","- C88 H104 Cl4 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0459","0.0333","","","0.0831","0.0902","","","","","","1.052","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707013","9.7586","0.0015","17.613","0.002","14.82","0.002","90","","106.582","0.003","90","","2441.3","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 B F6 Mn N4 O2 -","- C22 H26 B F6 Mn N4 O2 -","- C88 H104 B4 F24 Mn4 N16 O8 -","4","1","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0476","0.037","","","0.0977","0.1153","","","","","","1.143","","","","has coordinates,has disorder","265999","2021-06-05","18:30:37",""
"7707014","9.6711","0.0013","17.599","0.002","14.657","0.002","90","","106.072","0.003","90","","2397.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl F2 Mn N4 O6 -","- C22 H26 Cl F2 Mn N4 O6 -","- C88 H104 Cl4 F8 Mn4 N16 O24 -","4","1","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0375","0.0333","","","0.0806","0.084","","","","","","1.064","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707015","11.554","0.006","8.271","0.004","13.523","0.006","90","","94.08","0.011","90","","1289","1.1","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 F8 Mn N4 O2 Sb -","- C22 H26 F8 Mn N4 O2 Sb -","- C44 H52 F16 Mn2 N8 O4 Sb2 -","2","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0456","0.041","","","0.1459","0.1513","","","","","","1.088","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707016","11.6715","0.0009","8.2695","0.0006","13.5489","0.001","90","","94.836","0.002","90","","1303.05","0.17","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 F8 Mn N4 O2 Sb -","- C22 H26 F8 Mn N4 O2 Sb -","- C44 H52 F16 Mn2 N8 O4 Sb2 -","2","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0545","0.0332","","","0.0718","0.0788","","","","","","1.053","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707017","9.831","0.004","17.819","0.007","14.782","0.006","90","","106.738","0.009","90","","2479.8","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl F2 Mn N4 O6 -","- C22 H26 Cl F2 Mn N4 O6 -","- C88 H104 Cl4 F8 Mn4 N16 O24 -","4","1","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0712","0.0484","","","0.1259","0.1452","","","","","","1.031","","","","has coordinates","265999","2021-06-05","18:30:37",""
"7707018","11.53","0.004","8.107","0.003","13.414","0.004","90","","94.156","0.009","90","","1250.6","0.7","298","2","298","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C22 H26 F8 Mn N4 O2 P -","- C22 H26 F8 Mn N4 O2 P -","- C44 H52 F16 Mn2 N8 O4 P2 -","2","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0607","0.0485","","","0.1269","0.1342","","","","","","1.044","","","","has coordinates,has disorder","265999","2021-06-05","18:30:37",""
"7707019","8.0357","0.0008","16.0975","0.0015","17.7115","0.0017","90","","90","","90","","2291.1","0.4","298","2","298","","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C22 H26 Br0.72 Cl0.28 F2 Mn N4 O2 -","- C22 H26 Br0.722 Cl0.278 F2 Mn N4 O2 -","- C88 H104 Br2.888 Cl1.112 F8 Mn4 N16 O8 -","4","0.5","","Qin, Chun-Yan; Zhao, Sheng-Ze; Wu, Hua-Yu; Li, Yong-Hua; Wang, Zi-Kun; Wang, Zheng; Wang, Shi","The dynamic interplay between intramolecular and intermolecular interactions in mononuclear manganese(III) SCO complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5899","5910","10.1039/d0dt04109b","","","0.71073","MoKα","","0.0585","0.0368","","","0.0834","0.0934","","","","","","1.08","","","","has coordinates,has disorder","265999","2021-06-05","18:30:37",""
"7707020","16.628","0.005","16.628","0.005","17.139","0.01","90","","90","","90","","4739","3","296","2","296.15","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- Ba4 F3 Ga S4 -","- Ba4 F3 Ga S4 -","- Ba64 F48 Ga16 S64 -","16","1","","Gao, Hongbo; Chen, Ruijiao; Zhang, Kewang; Abudurusuli, Ailijiang; Lai, Kangrong; Li, Junjie","Synthesis, characterization and theoretical investigation of a new chalcohalide, Ba<sub>4</sub>GaS<sub>4</sub>F<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6315","6320","10.1039/d1dt00800e","","","0.71073","MoKα","","0.0291","0.0218","","","0.0385","0.0409","","","","","","1.036","","","","has coordinates","266087","2021-06-05","18:53:54",""
"7707021","11.9194","0.0005","14.9993","0.0005","16.549","0.0005","106.505","0.003","105.512","0.003","95.595","0.003","2684.81","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C96 H98 Cl4 F12 Fe2 N6 P6 Ru -","- C96 H98 Cl4 F12 Fe2 N6 P6 Ru -","- C96 H98 Cl4 F12 Fe2 N6 P6 Ru -","1","0.5","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","x-ray","0.71073","MoKα","","0.1001","0.0747","","","0.196","0.2123","","","","","","1.047","","","","has coordinates","266089","2021-06-05","18:55:10",""
"7707022","17.219","0.004","14.916","0.003","20.604","0.005","90","","112.212","0.004","90","","4899.2","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96 H97 F24 Fe2 N7 P8 Ru -","- C96 H97 F24 Fe2 N7 P8 Ru -","- C192 H194 F48 Fe4 N14 P16 Ru2 -","2","0.5","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","","0.71073","MoKα","","0.0689","0.0624","","","0.1573","0.1632","","","","","","1.029","","","","has coordinates,has disorder","266089","2021-06-05","18:55:11",""
"7707023","21.111","0.005","15.961","0.003","34.384","0.008","90","","90","","90","","11586","4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C98 H102 F12 Fe2 N6 P6 Ru -","- C98 H102 F12 Fe2 N6 P6 Ru -","- C392 H408 F48 Fe8 N24 P24 Ru4 -","4","1","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","","0.71073","MoKα","","0.0906","0.0832","","","0.2227","0.231","","","","","","1.054","","","","has coordinates","266089","2021-06-05","18:55:11",""
"7707024","15.54011","0.00005","20.78264","0.00009","33.67197","0.00016","107.885","0.0004","95.1931","0.0003","90.3443","0.0003","10300.3","0.08","110.6","0.3","110.6","0.3","","","","","","","","9","P -1","-P 1","2","","","","- C398 H420 Cl12 F72 Fe8 N24 O3 P28 Ru4 -","- C398 H420 Cl12 F72 Fe8 N24 O3 P28 Ru4 -","- C398 H420 Cl12 F72 Fe8 N24 O3 P28 Ru4 -","1","0.5","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","x-ray","1.3405","GaKα","","0.063","0.0601","","","0.1611","0.1634","","","","","","1.047","","","","has coordinates,has disorder","266089","2021-06-05","18:55:11",""
"7707025","13.159","0.003","28.16","0.006","36.422","0.007","90","","97.758","0.005","90","","13373","5","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C198 H208 Cl4 F48 Fe4 N12 O5 P16 Ru2 -","- C198 H208 Cl4 F48 Fe4 N12 O5 P16 Ru2 -","- C396 H416 Cl8 F96 Fe8 N24 O10 P32 Ru4 -","2","0.5","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","","0.71073","MoKα","","0.1074","0.0904","","","0.245","0.267","","","","","","0.999","","","","has coordinates,has disorder","266089","2021-06-05","18:55:11",""
"7707026","23.186","0.002","24.5526","0.0019","25.215","0.002","113.495","0.008","113.588","0.009","90.261","0.007","11832","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C188 H188 F42 Fe4 N12 O1.25 P15 Ru2 -","- C188 H188 F42 Fe4 N12 O1.25 P15 Ru2 -","- C376 H376 F84 Fe8 N24 O2.5 P30 Ru4 -","2","1","","Xu, Qing-Dou; Zeng, Chen; Su, Shao-Dong; Yang, Yu-Ying; Hu, Sheng-Min; Li, Ting-Ya; Wu, Xin-Tao; Sheng, Tian-Lu","Tuning metal to metal charge transfer properties in cyanidometal-bridged complexes by changing the auxiliary ligand on the bridge.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6161","6169","10.1039/d1dt00157d","","","1.3405","GaKα","","0.3088","0.2318","","","0.5523","0.6001","","","","","","1.018","","","","has coordinates","266089","2021-06-05","18:55:11",""
"7707027","7.7879","0.0004","18.4219","0.0011","24.4619","0.0012","90","","90","","90","","3509.5","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Ge N6 -","- C20 H16 Ge N6 -","- C160 H128 Ge8 N48 -","8","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0821","0.0473","","","0.074","0.0821","","","","","","1.057","","","","has coordinates","266085","2021-06-05","18:53:34",""
"7707028","7.9626","0.0005","9.3447","0.0005","17.4878","0.001","90","","95.358","0.002","90","","1295.55","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl Ge N3 -","- C12 H12 Cl Ge N3 -","- C48 H48 Cl4 Ge4 N12 -","4","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0391","0.0301","","","0.0607","0.0633","","","","","","1.086","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707029","11.4993","0.0005","21.159","0.0008","9.1723","0.0004","90","","92.591","0.002","90","","2229.46","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N6 Sn -","- C24 H24 N6 Sn -","- C96 H96 N24 Sn4 -","4","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0273","0.0225","","","0.0519","0.0541","","","","","","1.138","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707030","19.4667","0.0012","19.4667","0.0012","15.686","0.0012","90","","90","","120","","5147.9","0.6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H36 Li N9 Pb -","- C36 H36 Li N9 Pb -","- C216 H216 Li6 N54 Pb6 -","6","0.333333","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0465","0.0352","","","0.0793","0.0841","","","","","","1.061","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707031","12.0113","0.0009","12.0113","0.0009","41.778","0.003","90","","90","","120","","5219.9","0.7","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C36 H36 Ge Li N9 -","- C36 H36 Ge Li N9 -","- C216 H216 Ge6 Li6 N54 -","6","0.333333","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0301","0.025","","","0.0659","0.0681","","","","","","1.02","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707032","12.1232","0.0012","12.1232","0.0012","41.793","0.004","90","","90","","120","","5319.5","0.9","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C36 H36 Li N9 Sn -","- C36 H36 Li N9 Sn -","- C216 H216 Li6 N54 Sn6 -","6","0.333333","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0609","0.0398","","","0.0964","0.1036","","","","","","1.116","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707033","8.2653","0.0005","9.9478","0.0006","12.611","0.0007","91.91","0.003","92.733","0.003","91.899","0.003","1034.51","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl Ge N3 -","- C10 H8 Cl Ge N3 -","- C40 H32 Cl4 Ge4 N12 -","4","2","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0413","0.0295","","","0.0676","0.0726","","","","","","1.025","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707034","11.1572","0.0004","11.5648","0.0004","19.6657","0.0007","79.294","0.002","76.67","0.002","62.192","0.002","2174.94","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H48 Li4 N12 -","- C48 H48 Li4 N12 -","- C96 H96 Li8 N24 -","2","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","1.54178","CuKα","","0.2008","0.1095","","","0.2443","0.2939","","","","","","1.297","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707035","11.8487","0.0006","9.2747","0.0004","16.9821","0.0009","90","","104.129","0.002","90","","1809.76","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 Sn -","- C20 H16 N6 Sn -","- C80 H64 N24 Sn4 -","4","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0283","0.0226","","","0.053","0.0564","","","","","","1.147","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707036","8.8339","0.0005","12.1659","0.0006","12.3964","0.0006","111.554","0.002","96.379","0.002","110.358","0.002","1117.25","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Ge N6 -","- C24 H24 Ge N6 -","- C48 H48 Ge2 N12 -","2","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0302","0.0258","","","0.0644","0.0666","","","","","","1.035","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707037","17.1415","0.0008","8.3019","0.0004","14.9727","0.0006","90","","90","","90","","2130.72","0.17","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H16 Cl2 N6 Sn2 -","- C20 H16 Cl2 N6 Sn2 -","- C80 H64 Cl8 N24 Sn8 -","4","1","","Zechovský, Jan; Mrózek, Ondřej; Samsonov, Maksim; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Coordination capabilities of bis-(2-pyridyl)amides in the field of divalent germanium, tin and lead compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6321","6332","10.1039/d1dt00717c","","","0.71073","MoKα","","0.0577","0.0373","","","0.0793","0.0867","","","","","","1.027","","","","has coordinates","266085","2021-06-05","18:53:35",""
"7707038","6.6721","0.0013","11.701","0.002","12.113","0.002","96.337","0.008","104.603","0.008","103.407","0.008","875.7","0.3","101","","101","","","","","","","","see text","4","P -1","-P 1","2","","","","- C38 H40 O10 Ru2 -","- C38 H40 O10 Ru2 -","- C38 H40 O10 Ru2 -","1","0.5","","Heinz, Werner R.; Staude, Dominik; Mayer, David; Bunzen, Hana; Fischer, Roland A.","Scrutinizing ligand exchange reactions in the formation of the precious group metal-organic framework Ru<sup>II,II</sup>-HKUST-1: the impact of diruthenium tetracarboxylate precursor and modulator choice.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5226","5235","10.1039/d1dt00118c","","x-ray","0.71073","MoKα","","0.0487","0.0425","","","0.1172","0.1218","","","","","","1.034","","","","has coordinates","266081","2021-06-05","18:52:42",""
"7707039","24.3485","0.0018","9.9212","0.0007","23.6907","0.0017","90","","117.401","0.002","90","","5080.8","0.6","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C12.67 H13.33 O4.67 Ru0.67 -","- C38 H40 O14 Ru2 -","- C152 H160 O56 Ru8 -","4","0.5","","Heinz, Werner R.; Staude, Dominik; Mayer, David; Bunzen, Hana; Fischer, Roland A.","Scrutinizing ligand exchange reactions in the formation of the precious group metal-organic framework Ru<sup>II,II</sup>-HKUST-1: the impact of diruthenium tetracarboxylate precursor and modulator choice.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5226","5235","10.1039/d1dt00118c","","x-ray","0.71073","MoKα","","0.069","0.0574","","","0.119","0.1258","","","","","","1.203","","","","has coordinates","266081","2021-06-05","18:52:43",""
"7707040","9.6301","0.0005","11.295","0.0006","12.4945","0.0006","99.576","0.002","107.789","0.002","97.983","0.002","1249.72","0.11","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C48 H60 O20 Ru2 -","- C48 H60 O20 Ru2 -","- C48 H60 O20 Ru2 -","1","0.5","","Heinz, Werner R.; Staude, Dominik; Mayer, David; Bunzen, Hana; Fischer, Roland A.","Scrutinizing ligand exchange reactions in the formation of the precious group metal-organic framework Ru<sup>II,II</sup>-HKUST-1: the impact of diruthenium tetracarboxylate precursor and modulator choice.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5226","5235","10.1039/d1dt00118c","","x-ray","0.71073","MoKα","","0.0224","0.0198","","","0.0529","0.0544","","","","","","1.037","","","","has coordinates,has disorder","266081","2021-06-05","18:52:43",""
"7707041","29.179","0.01","18.4","0.007","17.212","0.006","90","","113.27","0.011","90","","8489","5","100","","100","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 F4 O10 Ru2 -","- C34 H28 F4 O10 Ru2 -","- C272 H224 F32 O80 Ru16 -","8","1","","Heinz, Werner R.; Staude, Dominik; Mayer, David; Bunzen, Hana; Fischer, Roland A.","Scrutinizing ligand exchange reactions in the formation of the precious group metal-organic framework Ru<sup>II,II</sup>-HKUST-1: the impact of diruthenium tetracarboxylate precursor and modulator choice.","Dalton transactions (Cambridge, England : 2003)","2021","50","15","5226","5235","10.1039/d1dt00118c","","x-ray","0.71073","MoKα","","0.0843","0.0773","","","0.2202","0.232","","","","","","1.139","","","","has coordinates","266081","2021-06-05","18:52:43",""
"7707042","18.4065","0.0004","18.4065","0.0004","5.29289","0.00015","90","","90","","90","","1793.23","0.07","294.4","0.6","294.4","0.6","","","","","","","","6","I 4","I 4","79","","","","- C3 H8 N O5 P Zn -","- C3 H8 N O5 P Zn -","- C24 H64 N8 O40 P8 Zn8 -","8","1","","Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5442","5445","10.1039/d1dt00939g","","x-ray","1.54184","CuKα","","0.0659","0.0634","","","0.1734","0.179","","","","","","1.123","","","","has coordinates","266023","2021-06-05","18:36:20",""
"7707043","18.4078","0.0002","18.4078","0.0002","5.29562","0.0001","90","","90","","90","","1794.41","0.04","296.4","0.2","296.4","0.2","","","","","","","","6","I 4","I 4","79","","","","- C3 H8 N O5 P Zn -","- C3 H8 N O5 P Zn -","- C24 H64 N8 O40 P8 Zn8 -","8","1","","Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5442","5445","10.1039/d1dt00939g","","x-ray","1.54184","CuKα","","0.0612","0.0593","","","0.167","0.1714","","","","","","1.1","","","","has coordinates","266023","2021-06-05","18:36:20",""
"7707044","9.3318","0.0003","5.2246","0.0002","15.4277","0.0009","90","","95.095","0.004","90","","749.2","0.06","295","0.3","295","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N O5 P Zn -","- C3 H8 N O5 P Zn -","- C12 H32 N4 O20 P4 Zn4 -","4","1","","Mao, Yumei; Dong, Xuehua; Deng, Yuandan; Li, Jing; Huang, Ling; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Amino acid-templated zinc phosphites: low-dimensional structures, fluorescence, and nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5442","5445","10.1039/d1dt00939g","","x-ray","0.71073","MoKα","","0.0508","0.0419","","","0.1087","0.1155","","","","","","1.094","","","","has coordinates","266023","2021-06-05","18:36:20",""
"7707045","10.3859","0.0008","10.3859","0.0008","24.7964","0.0019","90","","90","","120","","2316.4","0.3","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C30 H18 Cl N9 S3 Zn2 -","- C30 H18 Cl N9 S3 Zn2 -","- C90 H54 Cl3 N27 S9 Zn6 -","3","0.333333","","Kobayashi, Daiya; Hamakawa, Akira; Yamaguchi, Yuki; Takahashi, Toshiaki; Yanagita, Mitsuhiro; Arai, Shigebumi; Minoura, Mao","Broadened bioactivity and enhanced durability of two structurally distinct metal-organic frameworks containing Zn<sup>2+</sup> ions and thiabendazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7176","7180","10.1039/d1dt00733e","","","0.4118","synchrotron","","0.0143","0.0143","","","0.0369","0.0369","","","","","","1.087","","","","has coordinates","266099","2021-06-05","18:59:58",""
"7707046","7.2558","0.0002","20.6091","0.0006","11.1997","0.0004","90","","96.739","0.001","90","","1663.18","0.09","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 N3 O4 S Zn -","- C18 H10 N3 O4 S Zn -","- C72 H40 N12 O16 S4 Zn4 -","4","1","","Kobayashi, Daiya; Hamakawa, Akira; Yamaguchi, Yuki; Takahashi, Toshiaki; Yanagita, Mitsuhiro; Arai, Shigebumi; Minoura, Mao","Broadened bioactivity and enhanced durability of two structurally distinct metal-organic frameworks containing Zn<sup>2+</sup> ions and thiabendazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7176","7180","10.1039/d1dt00733e","","","0.71073","MoKα","","0.0449","0.0338","","","0.0723","0.079","","","","","","1.091","","","","has coordinates","266099","2021-06-05","19:00:00",""
"7707047","12.8708","0.0003","13.1238","0.0003","15.2393","0.0004","107.87","0.002","112.612","0.002","100.095","0.002","2131.9","0.11","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H36 Fe N12 O6 P -","- C46 H36 Fe N12 O6 P -","- C92 H72 Fe2 N24 O12 P2 -","2","1","","Ouyang, Zhi-Jian; Mo, Xiao-Ying; Ye, Jia-Qi; Yu, Xiao-Xuan; Huang, Shu-Yuan; Liu, Xiao-Ling; Chen, Wen-Bin; Gao, Song; Dong, Wen","High temperature anionic Fe(III) spin crossover behavior in a mixed-valence Fe(II)/Fe(III) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5960","5967","10.1039/d1dt00111f","","x-ray","1.54184","CuKα","","0.0927","0.0682","","","0.16","0.1935","","","","","","1.059","","","","has coordinates","266000","2021-06-05","18:30:50",""
"7707048","16.2038","0.0004","16.8009","0.0003","17.1213","0.0003","82.518","0.002","74.902","0.002","84.267","0.002","4451.26","0.16","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C184 H164 Fe6 N66 O29 -","- C184 H164 Fe6 N66 O29 -","- C184 H164 Fe6 N66 O29 -","1","0.5","","Ouyang, Zhi-Jian; Mo, Xiao-Ying; Ye, Jia-Qi; Yu, Xiao-Xuan; Huang, Shu-Yuan; Liu, Xiao-Ling; Chen, Wen-Bin; Gao, Song; Dong, Wen","High temperature anionic Fe(III) spin crossover behavior in a mixed-valence Fe(II)/Fe(III) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5960","5967","10.1039/d1dt00111f","","x-ray","1.54184","CuKα","","0.0596","0.0498","","","0.1355","0.1412","","","","","","1.102","","","","has coordinates,has disorder","266000","2021-06-05","18:30:50",""
"7707049","36.107","0.005","18.725","0.003","20.875","0.003","90","","121.819","0.002","90","","11993","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H62 Cl Mn N2 O1.5 -","- C72 H62 Cl Mn N2 O1.5 -","- C576 H496 Cl8 Mn8 N16 O12 -","8","1","","Scharf, Austin B.; Zheng, Shao-Liang; Betley, Theodore A.","Luminescence from open-shell, first-row transition metal dipyrrin complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6418","6422","10.1039/d1dt00945a","","","0.71073","MoKα","","0.0851","0.0485","","","0.1213","0.1413","","","","","","1.022","","","","has coordinates,has disorder","266016","2021-06-05","18:34:47",""
"7707050","7.8674","0.0011","12.6283","0.0019","16.991","0.003","90","","90","","90","","1688.1","0.5","223","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl Mn N3 O2 -","- C18 H17 Cl Mn N3 O2 -","- C72 H68 Cl4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.1414","0.0701","","","0.1157","0.1391","","","","","","0.9422","","","","has coordinates","266030","2021-06-05","18:37:58",""
"7707051","7.9237","0.0004","12.7678","0.0005","17.3798","0.001","90","","90","","90","","1758.28","0.15","223","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Mn N3 O2 -","- C18 H17 Br Mn N3 O2 -","- C72 H68 Br4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0558","0.0418","","","0.0661","0.0691","","","","","","1.0272","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707052","7.8303","0.0003","12.6301","0.0006","17.0111","0.0009","90","","90","","90","","1682.35","0.14","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl Mn N3 O2 -","- C18 H17 Cl Mn N3 O2 -","- C72 H68 Cl4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0627","0.0456","","","0.0876","0.0937","","","","","","1.0078","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707053","9.5006","0.0004","10.4519","0.0004","17.3947","0.0006","90","","90","","90","","1727.28","0.11","223","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I Mn N3 O2 -","- C18 H17 I Mn N3 O2 -","- C72 H68 I4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0201","0.0191","","","0.049","0.0494","","","","","","1.0394","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707054","9.5303","0.0003","10.3905","0.0003","17.3403","0.0005","90","","90","","90","","1717.12","0.09","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I Mn N3 O2 -","- C18 H17 I Mn N3 O2 -","- C72 H68 I4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0247","0.022","","","0.0416","0.0424","","","","","","1.037","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707055","7.8656","0.0007","12.7295","0.0006","17.3852","0.001","90","","90","","90","","1740.7","0.2","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Mn N3 O2 -","- C18 H17 Br Mn N3 O2 -","- C72 H68 Br4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0462","0.0392","","","0.0747","0.0767","","","","","","1.0455","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707056","31.92","0.004","21.654","0.003","39.071","0.005","90","","90.011","0.002","90","","27006","6","190","1","190","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Complex-1","","- C172 H167 N6 Nd14 O80 -","- C172 H167 N6 Nd14 O80 -","- C688 H668 N24 Nd56 O320 -","4","1","","Hao, Wenxin; Yang, Xiaoping; Ma, Yanan; Niu, Mengyu; Shi, Dongliang; Schipper, Desmond","Construction of a high-nuclearity Nd(III) nanoring for the NIR luminescent detection of antibiotics.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5865","5870","10.1039/d1dt00230a","","","0.71073","MoKα","","0.168","0.0703","","","0.1791","0.203","","","","","","0.879","","","","has coordinates","266002","2021-06-05","18:31:19",""
"7707057","12.069","0.002","21.876","0.004","12.218","0.002","90","","117.47","0.03","90","","2862.1","1.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- B40 H0 N2 Na6 Ni2 O127.52 V12 -","- B40 N2 Na6 Ni2 O127.52 V12 -","- B40 N2 Na6 Ni2 O127.52 V12 -","1","0.25","","Zhang, Le; Liu, Xinxin; Shang, Mingyu; Sun, Fuxing; Jian, Juan; Bu, Ke; Zeng, Decheng; Yuan, Hongming","Efficient proton conductivity of a novel 3D open-framework vanadoborate with [V<sub>6</sub>B<sub>20</sub>] architectures.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3240","3246","10.1039/d0dt04426a","","","0.71073","MoKα","","0.0951","0.0798","","","0.1766","0.1839","","","","","","1.142","","","","has coordinates,has disorder","263607","2021-04-04","21:54:47",""
"7707058","38.907","0.003","38.907","0.003","44.043","0.003","90","","90","","120","","57738","7","293","2","293","2","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C66 H116 Br0 Cl2 Cu3 N8 O22 -","- C50 H60 Cl Cu3 N4 O10 -","- C900 H1080 Cl18 Cu54 N72 O180 -","18","0.5","","Li, Yang; Yang, Jin; Ma, Jian-Fang","A copper(ii)-based porous metal-organic framework for the efficient and rapid capture of toxic oxo-anion pollutants from water.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3832","3840","10.1039/d0dt04252h","","","0.71073","MoKα","","0.2224","0.1076","","","0.3014","0.3465","","","","","","0.969","","","","has coordinates","263608","2021-04-04","21:57:04",""
"7707059","14.9579","0.0013","10.8069","0.0007","20.2117","0.0018","90","","90","","90","","3267.2","0.5","283","2","283","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cd F N4 S3 -","- C11 H17 Cd F N4 S3 -","- C88 H136 Cd8 F8 N32 S24 -","8","1","","Wang, Yu-Zhen; Zhang, Zhi-Xu; Su, Chang-Yuan; Zhang, Tie; Fu, Da-Wei; Zhang, Yi","A-site cation with high vibrational motion in ABX<sub>3</sub> perovskite effectively induces dielectric phase transition.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3841","3847","10.1039/d0dt04415f","","","0.71073","MoKα","","0.0329","0.0233","","","0.0541","0.0559","","","","","","1.074","","","","has coordinates","263609","2021-04-04","22:02:29",""
"7707060","16.4557","0.0013","10.7894","0.0005","19.3242","0.0019","90","","90","","90","","3431","0.5","333","2","333","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H0 Cd F N4 S3 -","- C11 Cd F N4 S3 -","- C88 Cd8 F8 N32 S24 -","8","1","","Wang, Yu-Zhen; Zhang, Zhi-Xu; Su, Chang-Yuan; Zhang, Tie; Fu, Da-Wei; Zhang, Yi","A-site cation with high vibrational motion in ABX<sub>3</sub> perovskite effectively induces dielectric phase transition.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","3841","3847","10.1039/d0dt04415f","","","0.71073","MoKα","","0.1832","0.1446","","","0.4167","0.4452","","","","","","1.094","","","","has coordinates,has disorder","263609","2021-04-04","22:02:29",""
"7707061","33.9069","0.0011","12.6916","0.0002","16.8395","0.0006","90","","125.738","0.005","90","","5882","0.5","93","2","93","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H72 N6 -","- C72 H72 N6 -","- C288 H288 N24 -","4","0.5","","Nishimura, Tsubasa; Sakurai, Takahiro; Shinokubo, Hiroshi; Miyake, Yoshihiro","Iron hexamesityl-5,15-diazaporphyrin: synthesis, structure and catalytic use for direct oxidation of sp<sup>3</sup> C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6343","6348","10.1039/d1dt00893e","","","0.71073","MoKα","","0.0951","0.0623","","","0.1597","0.219","","","","","","1.188","","","","has coordinates,has disorder","266090","2021-06-05","18:55:34",""
"7707062","11.887","0.0008","13.2939","0.001","23.5461","0.0016","78.373","0.002","89.739","0.002","65.489","0.002","3303","0.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H74 Fe2 N12 O -","- C78 H74 Fe2 N12 O -","- C156 H148 Fe4 N24 O2 -","2","1","","Nishimura, Tsubasa; Sakurai, Takahiro; Shinokubo, Hiroshi; Miyake, Yoshihiro","Iron hexamesityl-5,15-diazaporphyrin: synthesis, structure and catalytic use for direct oxidation of sp<sup>3</sup> C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6343","6348","10.1039/d1dt00893e","","","0.71073","MoKα","","0.0457","0.0402","","","0.0995","0.1029","","","","","","1.054","","","","has coordinates","266090","2021-06-05","18:55:35",""
"7707063","21.0219","0.0006","26.3677","0.0006","13.5664","0.0004","90","","95.128","0.002","90","","7489.7","0.4","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H89 Fe N6 O -","- C80 H89 Fe N6 O -","- C320 H356 Fe4 N24 O4 -","4","0.5","","Nishimura, Tsubasa; Sakurai, Takahiro; Shinokubo, Hiroshi; Miyake, Yoshihiro","Iron hexamesityl-5,15-diazaporphyrin: synthesis, structure and catalytic use for direct oxidation of sp<sup>3</sup> C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6343","6348","10.1039/d1dt00893e","","","0.71073","MoKα","","0.0954","0.0754","","","0.2192","0.2346","","","","","","1.08","","","","has coordinates,has disorder","266090","2021-06-05","18:55:35",""
"7707064","14.9484","0.0004","5.51968","0.00013","23.7152","0.0005","90","","95.4112","0.0018","90","","1948.03","0.08","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 Cd O8 P2 -","- C18 Cd O8 P2 -","- C72 Cd4 O32 P8 -","4","1","","Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P.","Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6539","6548","10.1039/d1dt00104c","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.06502","","2.66","","","","","","","has coordinates","266017","2021-06-05","18:34:58",""
"7707065","9.39192","0.00024","23.4056","0.0006","10.51984","0.00025","90","","95.5626","0.0019","90","","2301.62","0.1","298","","298","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C36 Co4 O24 P4 -","- C36 Co4 O24 P4 -","- C72 Co8 O48 P8 -","2","0.5","","Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P.","Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6539","6548","10.1039/d1dt00104c","powder diffraction","x-ray","0.4124","synchrotron","","","","","","","","0.15531","","11.53","","","","","","","has coordinates","266017","2021-06-05","18:34:58",""
"7707066","14.4949","0.0007","5.76901","0.00027","12.9059","0.0005","90","","113.432","0.0023","90","","990.2","0.08","298","","298","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C18 Ca O8 P2 -","- C18 Ca O8 P2 -","- C36 Ca2 O16 P4 -","2","1","","Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P.","Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6539","6548","10.1039/d1dt00104c","powder diffraction","x-ray","0.7093","MoKα~1~","","","","","","","","0.08885","","3.45","","","","","","","has coordinates","266017","2021-06-05","18:34:58",""
"7707067","8.5189","0.0011","9.5568","0.0012","16.277","0.002","104.178","0.005","91.95","0.005","106.855","0.004","1221.7","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Mn2 N6 O8 -","- C20 H20 Mn2 N6 O8 -","- C40 H40 Mn4 N12 O16 -","2","1","","Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz","Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5911","5920","10.1039/d1dt00444a","","x-ray","0.71073","MoKα","","0.1053","0.0569","","","0.1015","0.1126","","","","","","1.022","","","","has coordinates","266009","2021-06-05","18:32:56",""
"7707068","12.2841","0.0006","16.224","0.0008","13.1914","0.0006","90","","103.688","0.002","90","","2554.3","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 Mn2 N6 O8 -","- C22 H24 Mn2 N6 O8 -","- C88 H96 Mn8 N24 O32 -","4","1","","Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz","Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5911","5920","10.1039/d1dt00444a","","x-ray","0.71073","MoKα","","0.1593","0.0591","","","0.1378","0.1667","","","","","","0.95","","","","has coordinates,has disorder","266009","2021-06-05","18:32:56",""
"7707069","23.155","0.0019","14.0329","0.0012","19.7444","0.0018","90","","103.759","0.003","90","","6231.5","0.9","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Br Cl2 Mn N6 O3 -","- C56 H60 Br2 Cl4 Mn2 N12 O6 -","- C224 H240 Br8 Cl16 Mn8 N48 O24 -","4","1","","Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz","Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5911","5920","10.1039/d1dt00444a","","x-ray","0.71073","MoKα","","0.1614","0.1127","","","0.1721","0.1845","","","","","","1.185","","","","has coordinates","266009","2021-06-05","18:32:56",""
"7707070","14.5175","0.0008","10.1261","0.0008","19.369","0.001","90","","90","","90","","2847.4","0.3","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H20 Mn2 N6 O8 -","- C28 H20 Mn2 N6 O8 -","- C112 H80 Mn8 N24 O32 -","4","0.5","","Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz","Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5911","5920","10.1039/d1dt00444a","","x-ray","0.71073","MoKα","","0.146","0.0907","","","0.1567","0.1697","","","","","","1.138","","","","has coordinates","266009","2021-06-05","18:32:56",""
"7707071","11.7228","0.0019","13.508","0.002","14.793","0.002","90.963","0.006","98.57","0.005","101.111","0.005","2270.4","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H51 Br Mn N7 O3 P2 -","- C50 H51 Br Mn N7 O3 P2 -","- C100 H102 Br2 Mn2 N14 O6 P4 -","2","1","","Friães, Sofia; Realista, Sara; Gomes, Clara S. B.; Martinho, Paulo N.; Veiros, Luis F.; Albrecht, Martin; Royo, Beatriz","Manganese complexes with chelating and bridging di-triazolylidene ligands: synthesis and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5911","5920","10.1039/d1dt00444a","","x-ray","0.71073","MoKα","","0.1929","0.1111","","","0.3019","0.342","","","","","","1.138","","","","has coordinates","266009","2021-06-05","18:32:56",""
"7707072","7.7659","0.0001","11.6599","0.0001","11.8575","0.0001","83.073","0.001","81.07","0.001","85.135","0.001","1050.54","0.019","173.01","0.1","173.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H17 F6 N4 O P Pd -","- C20 H17 F6 N4 O P Pd -","- C40 H34 F12 N8 O2 P2 Pd2 -","2","1","","Ó Máille, Gearóid M; Dall'Anese, Anna; Grossenbacher, Philipp; Montini, Tiziano; Milani, Barbara; Albrecht, Martin","Modulation of N^N'-bidentate chelating pyridyl-pyridylidene amide ligands offers mechanistic insights into Pd-catalysed ethylene/methyl acrylate copolymerisation.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6133","6145","10.1039/d1dt00389e","","x-ray","1.54184","CuKα","","0.0332","0.0329","","","0.0822","0.0824","","","","","","1.05","","","","has coordinates","266088","2021-06-05","18:54:01",""
"7707073","16.2609","0.0002","13.8629","0.0001","17.0202","0.0002","90","","90","","90","","3836.75","0.07","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Cl2 N4 Ru -","- C18 H24 Cl2 N4 Ru -","- C144 H192 Cl16 N32 Ru8 -","8","1","","Fandzloch, Marzena; Jędrzejewski, Tomasz; Dobrzańska, Liliana; Esteban-Parra, Ginés M; Wiśniewska, Joanna; Paneth, Agata; Paneth, Piotr; Sitkowski, Jerzy","New organometallic ruthenium(ii) complexes with purine analogs - a wide perspective on their biological application.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5557","5573","10.1039/d0dt03974h","","","0.71073","MoKα","","0.0361","0.0323","","","0.0838","0.0875","","","","","","1.06","","","","has coordinates","266027","2021-06-05","18:37:12",""
"7707074","7.6438","0.0002","9.8677","0.0003","14.0374","0.0004","78.921","0.002","81.651","0.002","83.732","0.002","1024.44","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cl2 N4 Ru -","- C19 H26 Cl2 N4 Ru -","- C38 H52 Cl4 N8 Ru2 -","2","1","","Fandzloch, Marzena; Jędrzejewski, Tomasz; Dobrzańska, Liliana; Esteban-Parra, Ginés M; Wiśniewska, Joanna; Paneth, Agata; Paneth, Piotr; Sitkowski, Jerzy","New organometallic ruthenium(ii) complexes with purine analogs - a wide perspective on their biological application.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5557","5573","10.1039/d0dt03974h","","","0.71073","MoKα","","0.0403","0.0373","","","0.0962","0.1002","","","","","","1.066","","","","has coordinates","266027","2021-06-05","18:37:13",""
"7707075","15.246","0.003","4.5479","0.0009","10.688","0.002","90","","117.2","0.03","90","","659.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium gadolinium manganese telluride (2-0.667-2-5)","","- Ba2 Gd0.67 Mn2 Te5 -","- Ba2 Gd0.6667 Mn2 Te5 -","- Ba4 Gd1.3334 Mn4 Te10 -","2","0.25","","Panigrahi, Gopabandhu; Jana, Subhendu; Ishtiyak, Mohd; Narayanswamy, S.; Bhattacharjee, Pinaki P.; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai","Ba<sub>2</sub>Ln<sub>1-x</sub>Mn<sub>2</sub>Te<sub>5</sub> (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6688","6701","10.1039/d1dt00057h","","","0.71073","MoKα","","0.0318","0.0296","","","0.0732","0.0742","","","","","","1.118","","","","has coordinates","266015","2021-06-05","18:34:35",""
"7707076","15.266","0.003","4.5784","0.0009","10.664","0.002","90","","116.92","0.03","90","","664.6","0.3","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium ytterbium manganese telluride (2-0.7448-2-5)","","- Ba2 Mn2 Te5 Yb0.7448 -","- Ba2 Mn2 Te5 Yb0.745 -","- Ba4 Mn4 Te10 Yb1.49 -","2","0.25","","Panigrahi, Gopabandhu; Jana, Subhendu; Ishtiyak, Mohd; Narayanswamy, S.; Bhattacharjee, Pinaki P.; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai","Ba<sub>2</sub>Ln<sub>1-x</sub>Mn<sub>2</sub>Te<sub>5</sub> (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6688","6701","10.1039/d1dt00057h","","","0.71073","MoKα","","0.0288","0.0281","","","0.0669","0.0673","","","","","","1.154","","","","has coordinates","266015","2021-06-05","18:34:36",""
"7707077","15.268","0.003","4.5817","0.0009","10.737","0.002","90","","117.23","0.03","90","","667.9","0.3","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Barium praseodomium manganese telluride (2-0.667-2-5)","","- Ba2 Mn2 Pr0.66 Te5 -","- Ba2 Mn2 Pr0.6667 Te5 -","- Ba4 Mn4 Pr1.3334 Te10 -","2","0.25","","Panigrahi, Gopabandhu; Jana, Subhendu; Ishtiyak, Mohd; Narayanswamy, S.; Bhattacharjee, Pinaki P.; Ramanujachary, K. V.; Niranjan, Manish K.; Prakash, Jai","Ba<sub>2</sub>Ln<sub>1-x</sub>Mn<sub>2</sub>Te<sub>5</sub> (Ln = Pr, Gd, and Yb; x = Ln vacancy): syntheses, crystal structures, optical, resistivity, and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6688","6701","10.1039/d1dt00057h","","","0.71073","MoKα","","0.0352","0.0315","","","0.0779","0.0798","","","","","","1.108","","","","has coordinates","266015","2021-06-05","18:34:36",""
"7707078","17.2276","0.0005","11.643","0.0003","12.716","0.0004","90","","90","","90","","2550.59","0.13","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H26 B2 Cl4 N2 P2 -","- C24 H26 B2 Cl4 N2 P2 -","- C96 H104 B8 Cl16 N8 P8 -","4","1","","Panova, Yulia; Khristolyubova, Alexandra; Zolotareva, Natalia; Sushev, Vyacheslav; Galperin, Vadim; Rumyantcev, Roman; Fukin, Georgy; Kornev, Alexander","Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5890","5898","10.1039/d1dt00747e","","","0.71073","MoKα","","0.0636","0.0588","","","0.1304","0.1326","","","","","","1.047","","","","has coordinates,has disorder","266008","2021-06-05","18:32:37",""
"7707079","13.6969","0.0005","12.2887","0.0004","18.2101","0.0006","90","","110.009","0.001","90","","2880.06","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 B4 N4 P4 -","- C24 H42 B4 N4 P4 -","- C96 H168 B16 N16 P16 -","4","1","","Panova, Yulia; Khristolyubova, Alexandra; Zolotareva, Natalia; Sushev, Vyacheslav; Galperin, Vadim; Rumyantcev, Roman; Fukin, Georgy; Kornev, Alexander","Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5890","5898","10.1039/d1dt00747e","","","0.71073","MoKα","","0.0783","0.052","","","0.1193","0.128","","","","","","1.032","","","","has coordinates,has disorder","266008","2021-06-05","18:32:37",""
"7707080","9.3112","0.0004","11.7738","0.0005","16.1431","0.0006","97.599","0.001","100.642","0.001","110.419","0.001","1592.42","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H19 B Cl F15 N2 O P2 -","- C30.5 H19 B Cl F15 N2 O P2 -","- C61 H38 B2 Cl2 F30 N4 O2 P4 -","2","1","","Panova, Yulia; Khristolyubova, Alexandra; Zolotareva, Natalia; Sushev, Vyacheslav; Galperin, Vadim; Rumyantcev, Roman; Fukin, Georgy; Kornev, Alexander","Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5890","5898","10.1039/d1dt00747e","","","0.71073","MoKα","","0.065","0.0467","","","0.096","0.1012","","","","","","1.05","","","","has coordinates,has disorder","266008","2021-06-05","18:32:37",""
"7707081","9.8192","0.0004","13.9606","0.0006","26.3145","0.001","90","","95.7722","0.0016","90","","3589","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 B F15 N2 P2 -","- C39 H25 B F15 N2 P2 -","- C156 H100 B4 F60 N8 P8 -","4","1","","Panova, Yulia; Khristolyubova, Alexandra; Zolotareva, Natalia; Sushev, Vyacheslav; Galperin, Vadim; Rumyantcev, Roman; Fukin, Georgy; Kornev, Alexander","Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5890","5898","10.1039/d1dt00747e","","","0.71073","MoKα","","0.1188","0.0807","","","0.147","0.1601","","","","","","1.073","","","","has coordinates,has disorder","287906","2023-11-30","18:39:50",""
"7707082","5.965","0.0002","25.2125","0.001","5.8168","0.0002","90","","90","","90","","874.8","0.05","100","2","100","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- La P3 Si -","- La P3 Si -","- La8 P24 Si8 -","8","1","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0181","0.0171","","","0.0491","0.0493","","","","","","1.185","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707083","4.3162","0.0002","12.809","0.0007","7.8719","0.0005","90","","93.671","0.002","90","","434.31","0.04","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La P3 Si -","- La P3 Si -","- La4 P12 Si4 -","4","1","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0191","0.0157","","","0.0384","0.0389","","","","","","1.101","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707084","5.9078","0.0003","25.4382","0.001","5.7398","0.0002","90","","90","","90","","862.6","0.06","99","2","99","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- La P3 Si -","- La P3 Si -","- La8 P24 Si8 -","8","2","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0175","0.0167","","","0.0391","0.0395","","","","","","1.208","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707085","5.8961","0.0003","25.0987","0.0011","5.7747","0.0002","90","","90","","90","","854.57","0.06","200","2","200","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- Ce P3 Si -","- Ce P2.995 Si -","- Ce8 P23.96 Si8 -","8","1","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","","","0.0266","0.0238","","","0.0623","0.0637","","","","","","1.15","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707086","5.8633","0.0003","25.3141","0.0011","5.7097","0.0003","90","","90","","90","","847.46","0.07","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","CeSiP3(Pna21)","","- Ce P3 Si -","- Ce P3 Si -","- Ce8 P24 Si8 -","8","2","","Akopov, Georgiy; Mark, Justin; Viswanathan, Gayatri; Lee, Shannon J.; McBride, Brennan C.; Won, Juyeon; Perras, Frédéric A; Paterson, Alexander L.; Yuan, Bing; Sen, Sabyasachi; Adeyemi, Adedoyin N.; Zhang, Feng; Wang, Cai-Zhuang; Ho, Kai-Ming; Miller, Gordon J.; Kovnir, Kirill","Third time's the charm: intricate non-centrosymmetric polymorphism in <i>Ln</i>SiP<sub>3</sub> (<i>Ln</i> = La and Ce) induced by distortions of phosphorus square layers.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6463","6476","10.1039/d1dt00845e","","","0.71073","MoKα","","0.0139","0.0138","","","0.0347","0.0349","","","","","","1.318","","","","has coordinates","266021","2021-06-05","18:35:53",""
"7707087","11.3342","0.0013","20.425","0.002","18.117","0.002","90","","95.963","0.001","90","","4171.4","0.8","110","","110","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H53 Ag Al F3.5 N3 O3 P3 S -","- C34 H53 Ag Al F3.5 N3 O3 P3 S -","- C136 H212 Ag4 Al4 F14 N12 O12 P12 S4 -","4","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Formation of an Ag→Al dative bond is avoided in reactions of an alane/tris(phosphine) ligand with monovalent silver.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5776","5778","10.1039/d1dt01068a","","","0.71073","MoKα","","0.0422","0.0304","","","0.0617","0.0666","","","","","","1.071","","","","has coordinates,has disorder","266001","2021-06-05","18:31:03",""
"7707088","10.6286","0.001","15.2317","0.0015","21.256","0.002","105.088","0.001","102.965","0.001","103.394","0.001","3080.2","0.5","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C41.5 H64 Ag Al B11 Cl11 N3 P3 -","- C41.5 H64 Ag Al B11 Cl11 N3 P3 -","- C83 H128 Ag2 Al2 B22 Cl22 N6 P6 -","2","1","","Lai, Qingheng; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Formation of an Ag→Al dative bond is avoided in reactions of an alane/tris(phosphine) ligand with monovalent silver.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5776","5778","10.1039/d1dt01068a","","","0.71073","MoKα","","0.0434","0.0294","","","0.0624","0.0681","","","","","","1.035","","","","has coordinates,has disorder","266001","2021-06-05","18:31:06",""
"7707089","9.5691","0.0005","21.4898","0.0012","10.0298","0.0005","90","","116.955","0.002","90","","1838.44","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane-3,7-diylbis(phenylmethanone)","","- C38 H42 N6 O5 P2 -","- C38 H42 N6 O5 P2 -","- C76 H84 N12 O10 P4 -","2","0.5","","Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","A new amido-phosphane as ligand for copper and silver complexes. Synthesis, characterization and catalytic application for azide-alkyne cycloaddition in glycerol.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6109","6125","10.1039/d1dt00992c","","","0.71073","MoKα","","0.1528","0.1226","","","0.3516","0.3842","","","","","","1.113","","","","has coordinates","266092","2021-06-05","18:56:02",""
"7707090","5.9782","0.0014","8.5423","0.0019","8.728","0.002","69.92","0.02","70.932","0.014","72.958","0.015","387.35","0.16","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C4 H8 Cl4 N4 O4 P4 -","- C4 H8 Cl4 N4 O4 P4 -","- C4 H8 Cl4 N4 O4 P4 -","1","1","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap","Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6673","6681","10.1039/d1dt00386k","","","0.71073","MoKα","","0.166","0.1416","","","0.3547","0.3687","","","","","","1.336","","","","has coordinates","266018","2021-06-05","18:35:15",""
"7707091","14.982","0.003","12.1208","0.0017","8.5138","0.0011","90","","90","","90","","1546.1","0.4","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C8 H16 N4 O8 P4 -","- C8 H16 N4 O8 P4 -","- C32 H64 N16 O32 P16 -","4","0.5","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap","Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6673","6681","10.1039/d1dt00386k","","","0.71073","MoKα","","0.0371","0.0336","","","0.0821","0.0852","","","","","","1.094","","","","has coordinates,has disorder","266018","2021-06-05","18:35:15",""
"7707092","16.7844","0.001","16.1909","0.001","23.1012","0.0014","90","","90","","90","","6277.9","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H12 Cl2 N4 O6 P4 -","- C6 H12 Cl2 N4 O6 P4 -","- C96 H192 Cl32 N64 O96 P64 -","16","2","","Palabıyık, Duygu; Mutlu Balcı, Ceylan; Allen, Christopher W.; Beşli, Serap","Unexpected formation of ansa isomers enabled by phosphazene ring flexibility in the reactions of cyclotetraphosphazene with 1,2-ethanediol.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6673","6681","10.1039/d1dt00386k","","","0.71073","MoKα","","0.0526","0.0358","","","0.0878","0.1021","","","","","","1.078","","","","has coordinates","266018","2021-06-05","18:35:15",""
"7707093","9.5998","0.0008","16.0132","0.0012","24.1951","0.0019","90","","93.261","0.007","90","","3713.3","0.5","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Br2 Cl2 Dy2 N8 O10 -","- C28 H30 Br2 Cl2 Dy2 N8 O10 -","- C112 H120 Br8 Cl8 Dy8 N32 O40 -","4","1","","Ji, Xiao-Qin; Xiong, Jin; Sun, Rong; Ma, Fang; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Enhancing the magnetic performance of pyrazine-N-oxide bridged dysprosium chains through controlled variation of ligand coordination modes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7048","7055","10.1039/d1dt00635e","","x-ray","0.71073","MoKα","","0.0591","0.0407","","","0.0597","0.067","","","","","","1.014","","","","has coordinates","266046","2021-06-05","18:42:54",""
"7707094","8.5054","0.0001","10.29646","0.00012","12.8339","0.0011","68.629","0.01","84.789","0.008","66.328","0.011","956.56","0.14","100","20","100","20","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Br Cl Dy N5 O4 -","- C15 H14 Br Cl Dy N5 O4 -","- C30 H28 Br2 Cl2 Dy2 N10 O8 -","2","1","","Ji, Xiao-Qin; Xiong, Jin; Sun, Rong; Ma, Fang; Sun, Hao-Ling; Zhang, Yi-Quan; Gao, Song","Enhancing the magnetic performance of pyrazine-N-oxide bridged dysprosium chains through controlled variation of ligand coordination modes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7048","7055","10.1039/d1dt00635e","","x-ray","0.71073","MoKα","","0.0633","0.05","","","0.0929","0.1031","","","","","","1.04","","","","has coordinates","266046","2021-06-05","18:42:55",""
"7707095","48.525","0.003","12.692","0.0008","56.67","0.003","90","","109.593","0.002","90","","32881","3","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H61.5 Bi K6.17 N4 O96.67 P2 W22 -","- C16 H48 Bi K6.16667 N4 O96.6666 P2 W22 -","- C192 H576 Bi12 K74 N48 O1160 P24 W264 -","12","1.5","","Mukhacheva, Anna A.; Asanova, Tatiana; Ryzhikov, Maxim R.; Sukhikh, Taisiya S.; Kompankov, Nikolay B.; Yanshole, Vadim V.; Berezin, Alexey S.; Gushchin, Artem L.; Abramov, Pavel A.; Sokolov, Maxim N.","Keggin-type polyoxometalate 1 : 1 complexes of Pb(II) and Bi(III): experimental, theoretical and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6913","6922","10.1039/d1dt00499a","","","0.71073","MoKα","","0.0994","0.0722","","","0.1297","0.139","","","","","","1.131","","","","has coordinates,has disorder","266042","2021-06-05","18:41:36",""
"7707096","9.1654","0.0003","8.9841","0.0002","13.1605","0.0004","90","","97.185","0.002","90","","1075.16","0.05","170","0.1","170","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","0.71073","MoKα","","0.0376","0.0326","","","0.0811","0.0838","","","","","","1.061","","","","has coordinates","266026","2021-06-05","18:37:02",""
"7707097","9.1445","0.0005","9.0168","0.0004","13.2244","0.0007","90","","96.821","0.005","90","","1082.69","0.1","500","0.3","500","0.3","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","0.71073","MoKα","","0.0271","0.0234","","","0.0538","0.0557","","","","","","1.058","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707098","8.3846","0.0003","6.5898","0.0002","19.4181","0.0005","90","","90","","90","","1072.91","0.06","99.98","0.11","99.98","0.11","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C5 H8 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","0.5","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","1.54184","CuKα","","0.0938","0.0828","","","0.1975","0.2147","","","","","","1.046","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707099","9.17","0.0004","8.9919","0.0003","13.19","0.0006","90","","96.851","0.004","90","","1079.83","0.08","292.98","0.11","292.98","0.11","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C24 H40 Er4 N4 O32 -","4","1","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","0.71073","MoKα","","0.0343","0.0315","","","0.0697","0.0715","","","","","","1.068","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707100","8.5549","0.0007","6.6144","0.0004","19.1726","0.0007","90","","90","","90","","1084.89","0.12","460","0.2","460","0.2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C5 H8 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","0.5","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","1.54184","CuKα","","0.1023","0.0806","","","0.1864","0.2097","","","","","","1.106","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707101","8.4795","0.0004","6.6014","0.0002","19.2633","0.0005","90","","90","","90","","1078.29","0.07","309.99","0.1","309.99","0.1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C5 H8 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","0.5","","Burley, Lydia G.; Beecham-Lonsdale, James H; Srivastava, Anant Kumar; Collings, Ines E.; Saines, Paul J.","Enhancing the chemical flexibility of hybrid perovskites by introducing divalent ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5437","5441","10.1039/d1dt00878a","","x-ray","1.54184","CuKα","","0.097","0.0829","","","0.1959","0.2222","","","","","","1.023","","","","has coordinates","266026","2021-06-05","18:37:03",""
"7707102","13.5234","0.0003","11.1663","0.0003","20.6115","0.0005","90","","93.494","0.002","90","","3106.68","0.13","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 B N2 S -","- C37 H35 B N2 S -","- C148 H140 B4 N8 S4 -","4","1","","Sa, Shreenibasa; Mukundam, Vanga; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of pyrazole anchored three-coordinated organoboranes and their application in the detection of picric acid.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6204","6212","10.1039/d1dt00586c","","","0.71073","MoKα","","0.076","0.0474","","","0.1215","0.138","","","","","","1.029","","","","has coordinates","266084","2021-06-05","18:53:17",""
"7707103","8.2587","0.0004","30.5396","0.0017","11.9793","0.0007","90","","91.502","0.003","90","","3020.3","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 B N2 -","- C39 H37 B N2 -","- C156 H148 B4 N8 -","4","1","","Sa, Shreenibasa; Mukundam, Vanga; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","Synthesis of pyrazole anchored three-coordinated organoboranes and their application in the detection of picric acid.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6204","6212","10.1039/d1dt00586c","","","0.71073","MoKα","","0.0675","0.0491","","","0.115","0.1252","","","","","","1.038","","","","has coordinates","266084","2021-06-05","18:53:17",""
"7707104","5.455","0.006","2.836","0.012","5.662","0.008","90","","90","","90","","87.6","0.4","293","2","293","","","","52900000","","","","","2","P m n 21","P 2ac -2","31","","sodium pentazolate","","- N5 Na -","- N5 Na -","- N10 Na2 -","2","0.5","","Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.","Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7229","7237","10.1039/d1dt00722j","","x-ray","0.29521","synchrotron","","0.0583","0.0528","","","0.1465","0.1477","","","","","","1.235","","","","has coordinates","266100","2021-06-05","19:00:15",""
"7707105","10.321","0.003","8.672","0.003","11.0409","0.0017","90","","91.7","0.02","90","","987.8","0.5","293","2","293","2","","","52900000","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- N7 Na -","- N7 Na -","- N112 Na16 -","16","4","","Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.","Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7229","7237","10.1039/d1dt00722j","","x-ray","0.29521","synchrotron","","0.1308","0.0721","","","0.1799","0.2159","","","","","","0.983","","","","has coordinates","266100","2021-06-05","19:00:15",""
"7707106","4.781","0.01","2.5873","0.0007","4.934","0.012","90","","119.6","0.3","90","","53.1","0.2","293","2","293","2","","","50000000","","","","","2","P 1 m 1","P -2y","6","","sodium pentazolate","","- N5 Na2 -","- N5 Na2 -","- N5 Na2 -","1","0.5","","Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.","Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7229","7237","10.1039/d1dt00722j","","x-ray","0.29521","synchrotron","","0.0694","0.0566","","","0.1345","0.1397","","","","","","1.109","","","","has coordinates","266100","2021-06-05","19:00:15",""
"7707107","15.5612","0.0005","9.5156","0.0003","19.2931","0.0007","90","","105.92","0.004","90","","2747.24","0.17","93.15","","93.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 As2 I2 O12 Pt -","- C56 H66 As2 I2 O12 Pt -","- C112 H132 As4 I4 O24 Pt2 -","2","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","","0.71073","MoKα","","0.0524","0.0305","","","0.0592","0.0667","","","","","","0.998","","","","has coordinates,has disorder","266014","2021-06-05","18:34:27",""
"7707108","27.946","0.017","15.065","0.009","18.145","0.011","90","","107.168","0.006","90","","7299","8","93.15","","93.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C58 H70 As2 Cl6 F12 K2 O12 P2 Pt -","- C58 H70 As2 Cl6 F12 K2 O12 P2 Pt -","- C232 H280 As8 Cl24 F48 K8 O48 P8 Pt4 -","4","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","","0.71075","MoKα","","0.0784","0.0541","","","0.1013","0.117","","","","","","1.153","","","","has coordinates","266014","2021-06-05","18:34:28",""
"7707109","9.4839","0.0007","11.2922","0.0007","13.6685","0.001","92.689","0.005","96.897","0.006","108.594","0.006","1371.71","0.18","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 As2 Br2 O12 Pt -","- C56 H66 As2 Br2 O12 Pt -","- C56 H66 As2 Br2 O12 Pt -","1","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","","0.71073","MoKα","","0.1118","0.0794","","","0.1926","0.2245","","","","","","1.053","","","","has coordinates","266014","2021-06-05","18:34:28",""
"7707110","16.027","0.011","16.087","0.01","22.522","0.015","90","","90","","90","","5807","7","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C58 H74 As2 Cl2 O14 Pt -","- C58 H74 As2 Cl2 O14 Pt -","- C232 H296 As8 Cl8 O56 Pt4 -","4","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","","0.71075","MoKα","","0.0803","0.0606","","","0.1424","0.1533","","","","","","1.13","","","","has coordinates","266014","2021-06-05","18:34:28",""
"7707111","15.4501","0.0004","15.5883","0.0006","22.6136","0.0006","90","","90","","90","","5446.3","0.3","93.15","","93.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H66 As2 Cl2 O12 Pt -","- C56 H66 As2 Cl2 O12 Pt -","- C224 H264 As8 Cl8 O48 Pt4 -","4","0.5","","Sumida, Akifumi; Imoto, Hiroaki; Naka, Kensuke","Turn-on type sensing of methanol vapor by a luminescent platinum(II) dichloride complex with 21-dibenzoarsacrown-7.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6682","6687","10.1039/d1dt01133b","","x-ray","0.71073","MoKα","","0.0584","0.0392","","","0.092","0.104","","","","","","1.071","","","","has coordinates,has disorder","266014","2021-06-05","18:34:28",""
"7707112","12.471","0.006","16.294","0.008","10.405","0.005","90","","99.044","0.01","90","","2088","1.8","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C11 H24 Ag Cl2 F6 N2 P S2 -","- C11 H24 Ag Cl2 F6 N2 P S2 -","- C44 H96 Ag4 Cl8 F24 N8 P4 S8 -","4","0.5","","Johnson, Alice; Iffland, Linda; Singh, Kuldip; Apfel, Ulf-Peter; Suntharalingam, Kogularamanan","A dithiacyclam-coordinated silver(i) polymer with anti-cancer stem cell activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5779","5783","10.1039/d1dt01155c","","","0.71073","MoKα","","0.0974","0.0622","","","0.1234","0.1347","","","","","","0.953","","","","has coordinates","266004","2021-06-05","18:31:34",""
"7707113","33.2765","0.0011","10.1813","0.0003","32.2152","0.0011","90","","93.102","0.001","90","","10898.5","0.6","120","2","119.99","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H124 B2 Dy2 N12 O6 -","- C130 H124 B2 Dy2 N12 O6 -","- C520 H496 B8 Dy8 N48 O24 -","4","0.5","","Liu, Yang; Lyu, Bang-Heng; Du, Shan-Nan; Huang, Guo-Zhang; Ruan, Ze-Yu; Wu, Si-Guo; Liu, Jun-Liang; Tong, Ming-Liang","Tuning luminescence of didysprosium single-molecule magnets with a π-conjugated/non-conjugated bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6778","6783","10.1039/d1dt00908g","","","0.71073","MoKα","","0.0427","0.03","","","0.0542","0.0573","","","","","","1.028","","","","has coordinates","266048","2021-06-05","18:43:17",""
"7707114","16.4469","0.0008","18.6601","0.0011","20.429","0.0012","73.848","0.002","76.884","0.002","74.783","0.002","5730.4","0.6","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C134 H130 B2 Dy2 N12 O8 -","- C133.5 H128 B2 Dy2 N12 O7.5 -","- C267 H256 B4 Dy4 N24 O15 -","2","1","","Liu, Yang; Lyu, Bang-Heng; Du, Shan-Nan; Huang, Guo-Zhang; Ruan, Ze-Yu; Wu, Si-Guo; Liu, Jun-Liang; Tong, Ming-Liang","Tuning luminescence of didysprosium single-molecule magnets with a π-conjugated/non-conjugated bridging ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6778","6783","10.1039/d1dt00908g","","","0.71073","MoKα","","0.0687","0.035","","","0.0604","0.0688","","","","","","1.014","","","","has coordinates","266048","2021-06-05","18:43:18",""
"7707115","54.4788","0.0009","30.7508","0.0003","38.316","0.0008","90","","110.4","0.002","90","","60163.7","1.9","120","0.14","120","0.14","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C325 H374 Co30 N30 O92 S24 -","- C313 H336 Co30 N24 O92 S24 -","- C1252 H1344 Co120 N96 O368 S96 -","4","1","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","x-ray","1.3405","GaKα","","0.1286","0.074","","","0.195","0.2245","","","","","","0.997","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707116","65.4426","0.0005","35.1245","0.0003","59.0133","0.0005","90","","90","","90","","135650","1.9","110","2","110.6","0.4","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C935 H1283 Cl16 Co64 N87 O167 S64 -","- C749 H846 Cl16 Co64 N41 O167 S64 -","- C2996 H3384 Cl64 Co256 N164 O668 S256 -","4","1","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","","0.71073","MoKα","","0.1551","0.1037","","","0.2768","0.302","","","","","","0.954","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707117","37.3887","0.0002","37.3887","0.0002","37.3887","0.0002","90","","90","","90","","52266.2","0.5","110.3","0.2","110.3","0.2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C318 H366 Co30 N30 O90 S24 -","- C306 H318 Co30 N24 O90 S24 -","- C1224 H1272 Co120 N96 O360 S96 -","4","0.166667","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","x-ray","1.3405","GaKα","","0.2575","0.1571","","","0.441","0.4962","","","","","","1.505","","","","has coordinates","266094","2021-06-05","18:58:40",""
"7707118","66.638","0.002","51.3655","0.0004","36.3667","0.0012","90","","143.163","0.007","90","","74630","13","100","2","100.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C400 H464 Cl8 Co32 N24 O88 S32 -","- C400 H464 Cl8 Co32 N24 O88 S32 -","- C1600 H1856 Cl32 Co128 N96 O352 S128 -","4","0.5","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","","1.54184","CuKα","","0.1295","0.0779","","","0.2314","0.2634","","","","","","1.006","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707119","49.3116","0.001","26.6728","0.0004","56.2706","0.001","90","","97.979","0.002","90","","73295","2","110.9","0.5","110.9","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C532.73 H790.5 Cl8 Co32 N73.3 O136.83 S32 -","- C430.733 H548.5 Cl8 Co32 N39.3 O102.833 S32 -","- C1722.93 H2194 Cl32 Co128 N157.2 O411.333 S128 -","4","0.5","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","x-ray","1.3405","GaKα","","0.1356","0.1","","","0.2885","0.3256","","","","","","1.209","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707120","23.7232","0.0003","31.4851","0.0004","36.7204","0.0005","69.633","0.001","71.579","0.001","84.696","0.001","24390.5","0.6","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C680 H1023 Cl10 Co40 N97 O177 S40 -","- C521 H652 Cl10 Co40 N44 O124 S40 -","- C521 H652 Cl10 Co40 N44 O124 S40 -","1","0.5","","Zhang, Kai; Du, Shao-Wu","A novel series of giant cobalt-calixarene macrocycles: ring-expansion and modulation of pore apertures through recrystallization.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6181","6187","10.1039/d1dt00556a","","x-ray","1.3405","GaKα","","0.1295","0.0828","","","0.2551","0.2878","","","","","","1.03","","","","has coordinates,has disorder","266094","2021-06-05","18:58:40",""
"7707121","10.1568","0.0007","15.3486","0.001","15.3374","0.0009","60.695","0.005","84.54","0.005","84.295","0.006","2071.7","0.3","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H116 N28 Na2 Nb2 Ni3 O22 -","- C46 H116 N28 Na2 Nb2 Ni3 O22 -","- C46 H116 N28 Na2 Nb2 Ni3 O22 -","1","0.5","","Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata","Tuning of magnetic properties of the 2D CN-bridged Ni<sup>II</sup>-Nb<sup>IV</sup> framework by incorporation of guest cations of alkali and alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7537","7544","10.1039/d1dt00367d","","","0.71073","MoKα","","0.0848","0.0665","","","0.1581","0.1792","","","","","","1.038","","","","has coordinates","267151","2021-07-05","17:31:46",""
"7707122","26.199","0.005","15.628","0.003","10.235","0.002","90","","95.39","0.03","90","","4172.1","1.4","170","2","170","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C46 H122 Ca N28 Nb2 Ni3 O25 -","- C46 H72 Ca N28 Nb2 Ni3 O25 -","- C92 H144 Ca2 N56 Nb4 Ni6 O50 -","2","0.25","","Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata","Tuning of magnetic properties of the 2D CN-bridged Ni<sup>II</sup>-Nb<sup>IV</sup> framework by incorporation of guest cations of alkali and alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7537","7544","10.1039/d1dt00367d","","","0.71073","MoKα","","0.0577","0.0504","","","0.1291","0.1339","","","","","","1.071","","","","has coordinates,has disorder","267151","2021-07-05","17:31:55",""
"7707123","26.1052","0.0007","15.677","0.0004","10.3076","0.0003","90","","95.126","0.001","90","","4201.5","0.2","120","2","120","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C46 H118 N28 Nb2 Ni3 O23 Sr -","- C46 H72 N28 Nb2 Ni3 O23 Sr -","- C92 H144 N56 Nb4 Ni6 O46 Sr2 -","2","0.25","","Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata","Tuning of magnetic properties of the 2D CN-bridged Ni<sup>II</sup>-Nb<sup>IV</sup> framework by incorporation of guest cations of alkali and alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7537","7544","10.1039/d1dt00367d","","","0.71073","MoKα","","0.0847","0.0709","","","0.1956","0.2055","","","","","","1.091","","","","has coordinates","267151","2021-07-05","17:31:55",""
"7707124","10.2154","0.0003","15.6242","0.0004","26.2257","0.0008","90","","95.93","0.003","90","","4163.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H120 Mg N28 Nb2 Ni3 O24 -","- C46 H120 Mg N28 Nb2 Ni3 O24 -","- C92 H240 Mg2 N56 Nb4 Ni6 O48 -","2","0.5","","Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata","Tuning of magnetic properties of the 2D CN-bridged Ni<sup>II</sup>-Nb<sup>IV</sup> framework by incorporation of guest cations of alkali and alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7537","7544","10.1039/d1dt00367d","","","0.71073","MoKα","","0.0638","0.0428","","","0.0949","0.1018","","","","","","1.031","","","","has coordinates,has disorder","267151","2021-07-05","17:31:55",""
"7707125","26.4583","0.001","15.5934","0.0006","10.1748","0.0004","90","","96.078","0.002","90","","4174.3","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C46 H112 Li2 N28 Nb2 Ni3 O20 -","- C46 H112 Li2 N28 Nb2 Ni3 O20 -","- C92 H224 Li4 N56 Nb4 Ni6 O40 -","2","0.25","","Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata","Tuning of magnetic properties of the 2D CN-bridged Ni<sup>II</sup>-Nb<sup>IV</sup> framework by incorporation of guest cations of alkali and alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7537","7544","10.1039/d1dt00367d","","","0.71073","MoKα","","0.0496","0.0429","","","0.0948","0.0975","","","","","","1.135","","","","has coordinates,has disorder","267151","2021-07-05","17:31:55",""
"7707126","20.1987","0.0006","15.7904","0.0004","26.4099","0.0007","90","","95.166","0.001","90","","8389.1","0.4","120","2","120","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C46 H121 Ba N28 Nb2 Ni3 O24.5 -","- C46 H72 Ba N28 Nb2 Ni3 O24.5 -","- C184 H288 Ba4 N112 Nb8 Ni12 O98 -","4","1","","Heczko, Michał; Reczyński, Mateusz; Näther, Christian; Nowicka, Beata","Tuning of magnetic properties of the 2D CN-bridged Ni<sup>II</sup>-Nb<sup>IV</sup> framework by incorporation of guest cations of alkali and alkaline earth metals.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7537","7544","10.1039/d1dt00367d","","","0.71073","MoKα","","0.1186","0.0764","","","0.1355","0.1497","","","","","","1.147","","","","has coordinates","267151","2021-07-05","17:31:55",""
"7707127","13.171","0.003","13.363","0.003","15.858","0.003","92.79","0.03","108.39","0.03","110.92","0.03","2432.6","1.2","180.15","","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H70 Cu F I2 N8 Ni2 S2 -","- C42 H70 Cu F I2 N8 Ni2 S2 -","- C84 H140 Cu2 F2 I4 N16 Ni4 S4 -","2","1","","Schmorl, Sara; Naumov, Sergej; Abel, Bernd; Börner, Martin; Pöppl, Andreas; Kersting, Berthold","Metalloligands based on Robson-type amino-thiophenolato macrocycles for assembly of heterotrimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5784","5788","10.1039/d1dt00723h","","","0.71073","MoKα","","0.0379","0.0326","","","0.0873","0.0896","","","","","","1.017","","","","has coordinates","266003","2021-06-05","18:31:26",""
"7707128","10.74738","0.00014","8.18934","0.00009","9.6299","0.0002","90","","93.1531","0.0011","90","","846.28","0.02","295","","295","","","","","","","","","6","C 1 2/m 1","-C 2y","12","2THF Mg(SCN)2 2H2O","","","- C10 H20 Mg N2 O4 S2 -","- C10 Mg N2 O4 S2 -","- C20 Mg2 N4 O8 S4 -","2","0.25","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0185","","","","","","","","","has coordinates","266033","2021-06-05","18:38:47",""
"7707129","15.2136","0.0007","10.2054","0.0004","7.722","0.0003","90","","94.98","0.002","90","","1194.4","0.09","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","alpha 4THF Mg(SCN)","","?alpha","- C18 H32 Mg N2 O4 S2 -","- C18 Mg N2 O4 S2 -","- C36 Mg2 N4 O8 S4 -","2","0.5","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0152","","","","","","","","","has coordinates","266033","2021-06-05","18:38:48",""
"7707130","7.49473","0.00006","9.0296","0.00009","7.87213","0.00007","90","","113.65","0.0004","90","","487.997","0.008","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Mg(SCN)2 4H2O","","?MgSCN2-4H2O?","- C2 H8 Mg N2 O4 S2 -","- C2 Mg N2 O4 S2 -","- C4 Mg2 N4 O8 S4 -","2","0.5","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0198","","","","","","","","","has coordinates","266033","2021-06-05","18:38:48",""
"7707131","10.9189","0.0003","12.4373","0.0004","5.7363","0.00014","90","","105.144","0.0012","90","","751.95","0.04","448","","448","","","","","","","","","6","C 1 2/m 1","-C 2y","12","2THF Mg(SCN)","","","- C10 H16 Mg N2 O2 S2 -","- C10 Mg N2 O2 S2 -","- C20 Mg2 N4 O4 S4 -","2","0.25","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0483","","","","","","","","","has coordinates","266033","2021-06-05","18:38:48",""
"7707132","10.5624","0.0004","15.0999","0.0005","7.8918","0.0002","90","","96.5777","0.0014","90","","1250.39","0.07","433","","433","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","beta 4THF Mg(SCN)","","","- C18 H32 Mg N2 O4 S2 -","- C18 Mg N2 O4 S2 -","- C36 Mg2 N4 O8 S4 -","2","0.5","","Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian","Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6949","6961","10.1039/d1dt00469g","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0359","","","","","","","","","has coordinates","266033","2021-06-05","18:38:48",""
"7707133","18.1076","0.0004","18.6534","0.0004","24.5013","0.0006","90","","92.749","0.002","90","","8266.2","0.3","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H70 N8 Na4 O35 Re4 S8 -","- C60 H70 N8 Na4 O35 Re4 S8 -","- C240 H280 N32 Na16 O140 Re16 S32 -","4","1","","Capper, Miles S.; Enriquez Garcia, Alejandra; Lai, Barry; Wang, Baiwen O.; Gelfand, Benjamin S.; Shemanko, Carrie S.; Jalilehvand, Farideh","The effect of sodium thiosulfate on cytotoxicity of a diimine Re(I) tricarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5968","5977","10.1039/d1dt00517k","","","1.54178","CuKα","","0.0509","0.0441","","","0.1026","0.1056","","","","","","1.156","","","","has coordinates","266006","2021-06-05","18:32:03",""
"7707134","8.0914","0.0001","7.8966","0.0002","26.1412","0.0005","90","","98.602","0.001","90","","1651.49","0.06","173","","173","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H26 N4 O14 Re2 S2 -","- C26 H26 N4 O14 Re2 S2 -","- C52 H52 N8 O28 Re4 S4 -","2","1","","Capper, Miles S.; Enriquez Garcia, Alejandra; Lai, Barry; Wang, Baiwen O.; Gelfand, Benjamin S.; Shemanko, Carrie S.; Jalilehvand, Farideh","The effect of sodium thiosulfate on cytotoxicity of a diimine Re(I) tricarbonyl complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5968","5977","10.1039/d1dt00517k","","","1.54178","CuKα","","0.0286","0.0278","","","0.0715","0.0719","","","","","","1.077","","","","has coordinates","266006","2021-06-05","18:32:04",""
"7707135","15.13779","0.00002","15.13779","0.00002","15.13779","0.00002","90","","90","","90","","3468.86","0.008","293","","293","","","","","","","","","4","F 4 3 2","F 4 2 3","209","","Calcium Magnesium Gallium Oxide","","- Ca7 Ga6.06 Mg1.94 O18 -","- Ca7 Ga6.06 Mg1.94 O18 -","- Ca56 Ga48.48 Mg15.52 O144 -","8","0.0833333","","Li, Ju; Huang, Jinmei; Jiang, Pengfei; Gao, Wenliang; Cong, Rihong; Yang, Tao","Complex crystal structure and photoluminescence of Bi<sup>3+</sup>-doped and Bi<sup>3+</sup>/Eu<sup>3+</sup> co-doped Ca<sub>7</sub>Mg<sub>2</sub>Ga<sub>6</sub>O<sub>18</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6848","6856","10.1039/d1dt01087e","powder diffraction","x-ray","0.82599","SynchrotronRadiation","","0.0423","0.0397","","0.0371","0.0368","","","","1.18","","","","","","","has coordinates","266037","2021-06-05","18:39:43",""
"7707136","9.472","0.0004","29.1025","0.0013","11.8612","0.0007","90","","99.23","0.005","90","","3227.3","0.3","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Br3 N3 O2 -","- C36 H34 Br3 N3 O2 -","- C144 H136 Br12 N12 O8 -","4","1","","Pitarch-Jarque, Javier; Zaragozá, Ramón J; Ballesteros, Rafael; Abarca, Belen; Garcia-España, Enrique; Verdejo, Begoña; Ballesteros-Garrido, Rafael","About the relevance of anion-π interactions in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6834","6839","10.1039/d1dt00771h","","x-ray","0.71073","MoKα","","0.0682","0.0462","","","0.0984","0.1081","","","","","","1.048","","","","has coordinates","266045","2021-06-05","18:42:46",""
"7707137","20.7951","0.0004","30.5457","0.0006","14.9217","0.0003","90","","90","","90","","9478.3","0.3","120","0.1","120","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C90 H98 Br9 N27 O4 -","- C90 H98 Br9 N27 O4 -","- C360 H392 Br36 N108 O16 -","4","1","","Pitarch-Jarque, Javier; Zaragozá, Ramón J; Ballesteros, Rafael; Abarca, Belen; Garcia-España, Enrique; Verdejo, Begoña; Ballesteros-Garrido, Rafael","About the relevance of anion-π interactions in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6834","6839","10.1039/d1dt00771h","","x-ray","0.71073","MoKα","","0.0661","0.045","","","0.101","0.1128","","","","","","0.975","","","","has coordinates,has disorder","266045","2021-06-05","18:42:46",""
"7707138","12.3635","0.0009","23.3233","0.0015","13.8839","0.0012","90","","113.41","0.01","90","","3674","0.6","119.9","0.3","119.9","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H66 Br6 N18 O3 -","- C78 H66 Br6 N18 O3 -","- C156 H132 Br12 N36 O6 -","2","0.5","","Pitarch-Jarque, Javier; Zaragozá, Ramón J; Ballesteros, Rafael; Abarca, Belen; Garcia-España, Enrique; Verdejo, Begoña; Ballesteros-Garrido, Rafael","About the relevance of anion-π interactions in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6834","6839","10.1039/d1dt00771h","","x-ray","0.71073","MoKα","","0.0924","0.0588","","","0.1135","0.1261","","","","","","1.105","","","","has coordinates,has disorder","266045","2021-06-05","18:42:46",""
"7707139","6.2711","0.0018","7.864","0.002","6.861","0.0019","90","","90.118","0.004","90","","338.36","0.16","300","2","300","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ga Li5 S4 -","- Ga Li5 S4 -","- Ga2 Li10 S8 -","2","0.5","","Balijapelly, Srikanth; Sandineni, Prashanth; Adhikary, Amit; Gerasimchuk, Nikolay N.; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Ternary alkali ion thiogallates, A<sub>5</sub>GaS<sub>4</sub> (A = Li and Na), with isolated tetrahedral building units and their ionic conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7372","7379","10.1039/d1dt00766a","","","0.71073","MoKα","","0.0501","0.0426","","","0.1085","0.1148","","","","","","1.089","","","","has coordinates","266111","2021-06-05","19:02:56",""
"7707140","12.0454","0.0015","7.0212","0.0009","21.535","0.003","90","","90","","90","","1821.3","0.4","220","2","220","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- Ga Na5 S4 -","- Ga Na5 S4 -","- Ga8 Na40 S32 -","8","1","","Balijapelly, Srikanth; Sandineni, Prashanth; Adhikary, Amit; Gerasimchuk, Nikolay N.; Chernatynskiy, Aleksandr V.; Choudhury, Amitava","Ternary alkali ion thiogallates, A<sub>5</sub>GaS<sub>4</sub> (A = Li and Na), with isolated tetrahedral building units and their ionic conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7372","7379","10.1039/d1dt00766a","","","0.71073","MoKα","","0.0341","0.029","","","0.0733","0.0764","","","","","","1.059","","","","has coordinates","266111","2021-06-05","19:02:56",""
"7707141","18.161","0.001","12.38","0.001","24.609","0.002","90","","97.87","0.01","90","","5480.8","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H8 F36 -","- C79 H8 F36 -","- C316 H32 F144 -","4","1","","Tamm, Nadezhda B.; Markov, Vitaliy Yu; Troyanov, Sergey I.","Trifluoromethyl derivatives of pentagon-fused C<sub>60</sub>: <sup>1809</sup>C<sub>60</sub>(CF<sub>3</sub>)<sub>n</sub> (n = 10, 12, 14, 16).","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5765","5769","10.1039/d1dt00493j","","","0.8266","synchrotron","","0.2691","0.1146","","","0.2366","0.2729","","","","","","1.017","","","","has coordinates","266007","2021-06-05","18:32:21",""
"7707142","12.484","0.001","13.298","0.001","20.898","0.002","102.01","0.01","90.67","0.01","115.74","0.01","3036.1","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C79.5 H4 F48 -","- C79.5 H3.5 F48 -","- C159 H7 F96 -","2","1","","Tamm, Nadezhda B.; Markov, Vitaliy Yu; Troyanov, Sergey I.","Trifluoromethyl derivatives of pentagon-fused C<sub>60</sub>: <sup>1809</sup>C<sub>60</sub>(CF<sub>3</sub>)<sub>n</sub> (n = 10, 12, 14, 16).","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5765","5769","10.1039/d1dt00493j","","","0.8266","synchrotron","","0.1774","0.082","","","0.1852","0.214","","","","","","1.008","","","","has coordinates","266007","2021-06-05","18:32:21",""
"7707143","20.135","0.001","20.793","0.001","25.05","0.002","90","","90","","90","","10487.6","1.1","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C74 F42 -","- C74 F42.001 -","- C592 F336.008 -","8","1","","Tamm, Nadezhda B.; Markov, Vitaliy Yu; Troyanov, Sergey I.","Trifluoromethyl derivatives of pentagon-fused C<sub>60</sub>: <sup>1809</sup>C<sub>60</sub>(CF<sub>3</sub>)<sub>n</sub> (n = 10, 12, 14, 16).","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5765","5769","10.1039/d1dt00493j","","","0.8266","synchrotron","","0.1001","0.0733","","","0.1753","0.1856","","","","","","1.005","","","","has coordinates","266007","2021-06-05","18:32:21",""
"7707144","9.63257","0.00014","16.0028","0.0003","31.8147","0.0005","90","","90","","90","","4904.18","0.14","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H18 N6 O3 S Zn -","- C24 H18 N6 O3 S Zn -","- C192 H144 N48 O24 S8 Zn8 -","8","1","","Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6823","6833","10.1039/d1dt00657f","","x-ray","1.54184","CuKα","","0.0458","0.0418","","","0.1067","0.1089","","","","","","1.082","","","","has coordinates","266038","2021-06-05","18:39:56",""
"7707145","12.1163","0.0008","13.757","0.001","17.8138","0.0009","109.265","0.006","94.725","0.005","113.463","0.007","2491.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","JPL-176","","- C44 H42 N12 O9 S2 Zn2 -","- C44 H42 N12 O9 S2 Zn2 -","- C88 H84 N24 O18 S4 Zn4 -","2","1","","Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6823","6833","10.1039/d1dt00657f","","x-ray","0.71073","MoKα","","0.1163","0.0665","","","0.1697","0.1905","","","","","","1.099","","","","has coordinates","266038","2021-06-05","18:39:57",""
"7707146","9.5596","0.0007","30.0912","0.0014","9.0688","0.0005","90","","112.729","0.008","90","","2406.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","JPL-175","","- C26 H18 N6 O3 S Zn -","- C26 H18 N6 O3 S Zn -","- C104 H72 N24 O12 S4 Zn4 -","4","1","","Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6823","6833","10.1039/d1dt00657f","","","0.71073","MoKα","","0.0738","0.0567","","","0.1147","0.1246","","","","","","1.163","","","","has coordinates","266038","2021-06-05","18:39:57",""
"7707147","9.4903","0.0002","13.9811","0.0004","15.4215","0.0004","90","","104.862","0.003","90","","1977.75","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N6 O3 S Zn -","- C20 H14 N6 O3 S Zn -","- C80 H56 N24 O12 S4 Zn4 -","4","1","","Lobana, Tarlok S.; Indoria, Shikha; Sood, Henna; Arora, Daljit S.; Kaur, Manpreet; Jasinski, Jerry P.","Synthesis of (3-nitro-2-oxo-benzaldehyde thiosemicarbazonato)-zinc(II) complexes: the position of nitro group in phenyl ring alters antimicrobial activity against <i>K. pneumoniae</i> 1, <i>S. typhimurium</i> 2, MRSA and <i>C. albicans</i>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6823","6833","10.1039/d1dt00657f","","x-ray","1.54184","CuKα","","0.0473","0.0425","","","0.1092","0.1159","","","","","","1.037","","","","has coordinates","266038","2021-06-05","18:39:57",""
"7707148","12.731","0.002","21.255","0.004","15.501","0.003","90","","92.626","0.003","90","","4190.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H56 Cl2 N2 Si Zr -","- C45.5 H56 Cl2 N2 Si Zr -","- C182 H224 Cl8 N8 Si4 Zr4 -","4","1","","Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6170","6180","10.1039/d1dt00645b","","","0.71073","MoKα","","0.0385","0.0301","","","0.0784","0.0832","","","","","","1.009","","","","has coordinates","266091","2021-06-05","18:55:53",""
"7707149","13.6391","0.001","13.7468","0.001","15.4585","0.0012","88.4788","0.0013","75.8186","0.0013","63.3302","0.0012","2499.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 Cl2 N2 Si Zr -","- C62 H56 Cl2 N2 Si Zr -","- C124 H112 Cl4 N4 Si2 Zr2 -","2","1","","Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6170","6180","10.1039/d1dt00645b","","","0.71073","MoKα","","0.0489","0.0352","","","0.0812","0.0927","","","","","","1.064","","","","has coordinates","266091","2021-06-05","18:55:54",""
"7707150","11.9734","0.0006","37.063","0.0019","12.9008","0.0007","90","","91.4286","0.0013","90","","5723.2","0.5","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 N2 Si Zr -","- C74 H74 N2 Si Zr -","- C296 H296 N8 Si4 Zr4 -","4","1","","Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6170","6180","10.1039/d1dt00645b","","","0.71073","MoKα","","0.0917","0.0555","","","0.1257","0.1431","","","","","","1.015","","","","has coordinates,has disorder","266091","2021-06-05","18:55:54",""
"7707151","12.2494","0.0005","20.1522","0.0008","18.6075","0.0008","90","","91.781","0.001","90","","4591.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H54 N2 Si Zr -","- C59 H54 N2 Si Zr -","- C236 H216 N8 Si4 Zr4 -","4","1","","Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6170","6180","10.1039/d1dt00645b","","","0.71073","MoKα","","0.0406","0.0301","","","0.0756","0.083","","","","","","1.012","","","","has coordinates,has disorder","266091","2021-06-05","18:55:54",""
"7707152","11.8095","0.0009","12.3878","0.0009","16.4897","0.0013","77.496","0.002","85.801","0.002","81.266","0.002","2325.8","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H58 N2 Si Zr -","- C59 H58 N2 Si Zr -","- C118 H116 N4 Si2 Zr2 -","2","1","","Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6170","6180","10.1039/d1dt00645b","","","0.71073","MoKα","","0.0791","0.051","","","0.1196","0.1338","","","","","","1.012","","","","has coordinates","266091","2021-06-05","18:55:54",""
"7707153","13.9493","0.0006","24.3226","0.001","19.1054","0.0008","90","","109.861","0.001","90","","6096.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70.5 H85 N2 Si Zr -","- C64 H74 N2 Si Zr -","- C256 H296 N8 Si4 Zr4 -","4","1","","Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Goryunov, Georgy P.; Sharikov, Mikhail I.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Canich, Jo Ann M.; Voskoboynikov, Alexander Z.","Multisubstituted <i>C</i><sub>2</sub>-symmetric <i>ansa</i>-metallocenes bearing nitrogen heterocycles: influence of substituents on catalytic properties in propylene polymerization at higher temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","18","6170","6180","10.1039/d1dt00645b","","","0.71073","MoKα","","0.076","0.0447","","","0.1018","0.115","","","","","","1.01","","","","has coordinates,has disorder","266091","2021-06-05","18:55:54",""
"7707154","16.3951","0.0013","7.6405","0.0006","16.1518","0.0012","90","","113.604","0.002","90","","1854","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zinc-Organic Compound","","","- C18 H13 N3 O5 S2 Zn -","- C18 H13 N3 O5 S2 Zn -","- C72 H52 N12 O20 S8 Zn4 -","4","1","","Daga, Pooja; Manna, Priyanka; Majee, Prakash; Singha, Debal Kanti; Hui, Sayani; Ghosh, Ananta Kumar; Mahata, Partha; Mondal, Sudip Kumar","Response of a Zn(II)-based metal-organic coordination polymer towards trivalent metal ions (Al<sup>3+</sup>, Fe<sup>3+</sup> and Cr<sup>3+</sup>) probed by spectroscopic methods.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7388","7399","10.1039/d1dt00729g","","","0.71073","MoKα","","0.0571","0.0502","","","0.1355","0.1418","","","","","","1.091","","","","has coordinates","266106","2021-06-05","19:01:29",""
"7707155","17.5141","0.0015","15.645","0.0014","21.5767","0.0019","90","","90","","90","","5912.2","0.9","185","2","185","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C72 H80 N4 Ni -","- C72 H80 N4 Ni -","- C288 H320 N16 Ni4 -","4","0.5","","Xu, Shuyun; Chen, Xuemeng; Luo, Gen; Gao, Wei","Nickel complexes based on BIAN ligands: transformation and catalysis on ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7356","7363","10.1039/d1dt00649e","","","0.71073","MoKα","","0.0908","0.0504","","","0.1059","0.1216","","","","","","1.034","","","","has coordinates","266110","2021-06-05","19:02:48",""
"7707156","14.7275","0.0008","17.4047","0.001","20.479","0.0012","89.104","0.001","73.498","0.001","79.131","0.001","4938.8","0.5","184","2","184.65","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H80 B F20 N4 Ni -","- C96 H80 B F20 N4 Ni -","- C192 H160 B2 F40 N8 Ni2 -","2","1","","Xu, Shuyun; Chen, Xuemeng; Luo, Gen; Gao, Wei","Nickel complexes based on BIAN ligands: transformation and catalysis on ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7356","7363","10.1039/d1dt00649e","","","0.71073","MoKα","","0.1186","0.0743","","","0.1314","0.1519","","","","","","0.992","","","","has coordinates","266110","2021-06-05","19:02:49",""
"7707157","13.2628","0.0009","29.492","0.002","19.388","0.0014","90","","102.498","0.002","90","","7403.8","0.9","240","2","239.98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H80 N4 Ni2 O2 -","- C72 H80 N4 Ni2 O2 -","- C288 H320 N16 Ni8 O8 -","4","1","","Xu, Shuyun; Chen, Xuemeng; Luo, Gen; Gao, Wei","Nickel complexes based on BIAN ligands: transformation and catalysis on ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7356","7363","10.1039/d1dt00649e","","","0.71073","MoKα","","0.0742","0.0515","","","0.1283","0.1411","","","","","","1.019","","","","has coordinates","266110","2021-06-05","19:02:49",""
"7707158","32.3409","0.0004","32.3409","0.0004","8.6837","0.0002","90","","90","","90","","9082.6","0.3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C124 H68 Fe2 N20 P -","- C124 H68 Fe2 N20 P -","- C496 H272 Fe8 N80 P4 -","4","0.25","","Yamaguchi, Masayuki; Iwamura, Sayaka; Mine, Kosuke; Murakawa, Hiroshi; Hanasaki, Noriaki; Matsuda, Masaki","An electrically conducting molecular crystal composed of a magnetic iron(iii) complex (S = 1/2) with a large aromatic ligand, 1,2-naphthlalocyanine (C<sub>4h</sub> isomer): towards the development of molecular spintronics.","Dalton transactions (Cambridge, England : 2003)","2021","50","17","5789","5794","10.1039/d1dt00588j","","","0.71073","MoKα","","0.0624","0.0448","","","0.1385","0.15","","","","","","1.079","","","","has coordinates","265998","2021-06-05","18:30:15",""
"7707159","12.07717","0.00009","23.7428","0.0002","24.7043","0.0002","90","","90","","90","","7083.86","0.1","149.99","0.1","149.99","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H89 Er F6 N8 O18 S2 -","- C53 H89 Er F6 N8 O18 S2 -","- C212 H356 Er4 F24 N32 O72 S8 -","4","1","","Golesorkhi, Bahman; Taarit, Inès; Bolvin, Hélène; Nozary, Homayoun; Jiménez, Juan-Ramón; Besnard, Céline; Guénée, Laure; Fürstenberg, Alexandre; Piguet, Claude","Molecular light-upconversion: we have had a problem! When excited state absorption (ESA) overcomes energy transfer upconversion (ETU) in Cr(III)/Er(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7955","7968","10.1039/d1dt01079d","","x-ray","1.54184","CuKα","","0.0399","0.0365","","","0.0932","0.0948","","","","","","1.039","","","","has coordinates,has disorder","267194","2021-07-05","17:44:15",""
"7707160","12.67503","0.00012","12.92128","0.00015","26.7999","0.0002","90","","93.2566","0.0008","90","","4382.14","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Er N3 O24 -","- C33 H39 Cl2.9999 Er N3 O23.9996 -","- C132 H156 Cl11.9996 Er4 N12 O95.9984 -","4","1","","Golesorkhi, Bahman; Taarit, Inès; Bolvin, Hélène; Nozary, Homayoun; Jiménez, Juan-Ramón; Besnard, Céline; Guénée, Laure; Fürstenberg, Alexandre; Piguet, Claude","Molecular light-upconversion: we have had a problem! When excited state absorption (ESA) overcomes energy transfer upconversion (ETU) in Cr(III)/Er(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7955","7968","10.1039/d1dt01079d","","x-ray","1.54184","CuKα","","0.038","0.0333","","","0.0892","0.0921","","","","","","1.063","","","","has coordinates,has disorder","267194","2021-07-05","17:44:16",""
"7707161","23.27946","0.00012","12.89607","0.0001","36.97997","0.00019","90","","91.595","0.0004","90","","11097.6","0.12","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H69 Cl3 Er N9 O18 -","- C45 H69 Cl3 Er N9 O18 -","- C360 H552 Cl24 Er8 N72 O144 -","8","1","","Golesorkhi, Bahman; Taarit, Inès; Bolvin, Hélène; Nozary, Homayoun; Jiménez, Juan-Ramón; Besnard, Céline; Guénée, Laure; Fürstenberg, Alexandre; Piguet, Claude","Molecular light-upconversion: we have had a problem! When excited state absorption (ESA) overcomes energy transfer upconversion (ETU) in Cr(III)/Er(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7955","7968","10.1039/d1dt01079d","","x-ray","1.54184","CuKα","","0.0333","0.0317","","","0.079","0.08","","","","","","1.038","","","","has coordinates,has disorder","267194","2021-07-05","17:44:16",""
"7707162","5.11214","0.00016","14.49212","0.00094","12.0453","0.0011","90","","115.308","0.0095","90","","806.74","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","oxo-bis-titanium (iv) bis-phosphate dihydrate","","- H4 O11 P2 Ti2 -","- H2 O11 P2 Ti2 -","- H8 O44 P8 Ti8 -","4","1","","Babaryk, Artem A.; Adawy, Alaa; García, Inés; Trobajo, Camino; Amghouz, Zakariae; P Colodrero, Rosario M; Cabeza, Aurelio; Olivera-Pastor, Pascual; Bazaga-García, Montse; Dos Santos-Gómez, Lucía","Structural and proton conductivity studies of fibrous π-Ti<sub>2</sub>O(PO<sub>4</sub>)<sub>2</sub>·2H<sub>2</sub>O: application in chitosan-based composite membranes.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7667","7677","10.1039/d1dt00735a","powder diffraction","x-ray","0.457904","","","","","","","","","","0.015","1.347","","","","","","","has coordinates","267157","2021-07-05","17:33:38",""
"7707163","5.1187","0.0013","11.06","0.0021","14.4556","0.0026","90","","107.645","0.017","90","","779.9","0.3","773","","773","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","oxo-bis-titanium (iv) bis-phosphate","","- O9 P2 Ti2 -","- O9 P2 Ti2 -","- O36 P8 Ti8 -","4","1","","Babaryk, Artem A.; Adawy, Alaa; García, Inés; Trobajo, Camino; Amghouz, Zakariae; P Colodrero, Rosario M; Cabeza, Aurelio; Olivera-Pastor, Pascual; Bazaga-García, Montse; Dos Santos-Gómez, Lucía","Structural and proton conductivity studies of fibrous π-Ti<sub>2</sub>O(PO<sub>4</sub>)<sub>2</sub>·2H<sub>2</sub>O: application in chitosan-based composite membranes.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7667","7677","10.1039/d1dt00735a","powder diffraction","x-ray","1.54178","CuKα","","","","","","","","","0.011","1.377","","","","","","","has coordinates","267157","2021-07-05","17:33:47",""
"7707164","22.2814","0.0007","7.8139","0.0003","20.3486","0.001","90","","122.038","0.001","90","","3003.2","0.2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 B Cu F3 N4 -","- C13 H19 B Cu F3 N4 -","- C104 H152 B8 Cu8 F24 N32 -","8","1","","Zacharias, Adway O.; Mao, James X.; Nam, Kwangho; Dias, H. V. Rasika","Copper(I) and silver(I) chemistry of vinyltrifluoroborate supported by a bis(pyrazolyl)methane ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7621","7632","10.1039/d1dt00974e","","","0.71073","MoKα","","0.0524","0.0381","","","0.0844","0.0892","","","","","","1.04","","","","has coordinates","267161","2021-07-05","17:34:33",""
"7707165","26.933","0.003","13.0976","0.0015","39.297","0.005","90","","101.425","0.002","90","","13588","3","153","2","153.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H153 Fe3 Gd2 N34 Ni2 O33 -","- C80 H93 Fe3 Gd2 N30 Ni2 O14 -","- C320 H372 Fe12 Gd8 N120 Ni8 O56 -","4","0.5","","Zeng, Min; Hu, Kong-Qiu; Liu, Cai-Ming; Kou, Hui-Zhong","Heterotrimetallic Ni<sub>2</sub>Ln<sub>2</sub>Fe<sub>3</sub> chain complexes based on [Fe(1-CH<sub>3</sub>im)(CN)<sub>5</sub>]<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6427","6431","10.1039/d1dt00693b","","","0.71073","MoKα","","0.0949","0.0931","","","0.2067","0.2076","","","","","","1.19","","","","has coordinates,has disorder","266013","2021-06-05","18:34:12",""
"7707166","26.924","0.005","13.097","0.003","39.319","0.008","90","","100.35","0.03","90","","13639","5","153","2","153.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H147 Dy2 Fe3 N34 Ni2 O30 -","- C80 H93 Dy2 Fe3 N30 Ni2 O14 -","- C320 H372 Dy8 Fe12 N120 Ni8 O56 -","4","0.5","","Zeng, Min; Hu, Kong-Qiu; Liu, Cai-Ming; Kou, Hui-Zhong","Heterotrimetallic Ni<sub>2</sub>Ln<sub>2</sub>Fe<sub>3</sub> chain complexes based on [Fe(1-CH<sub>3</sub>im)(CN)<sub>5</sub>]<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6427","6431","10.1039/d1dt00693b","","","0.71073","MoKα","","0.0706","0.0664","","","0.1585","0.1611","","","","","","1.105","","","","has coordinates,has disorder","266013","2021-06-05","18:34:12",""
"7707167","31.8006","0.0017","31.8006","0.0017","31.382","0.0013","90","","90","","90","","31736","3","110","2","110","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","gaz1_sq (Sreenath)","","","- C56 H55 Cu4 In N8 O12 -","- C56 H55 Cu4 In N8 O12 -","- C896 H880 Cu64 In16 N128 O192 -","16","1","","Pappuru, Sreenath; Idrees, Karam B.; Chen, Zhijie; Shpasser, Dina; Gazit, Oz M.","A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6631","6636","10.1039/d1dt00764e","","","0.71073","MoKα","","0.1396","0.0654","","","0.1601","0.2081","","","","","","1.023","","","","has coordinates","266019","2021-06-05","18:35:30",""
"7707168","11.982","0.003","16.944","0.004","19.081","0.005","90","","90","","90","","3873.9","1.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Oz4b (Sreenath)","","","- C30 H37 Cl2 Cu2 N4 O16 -","- C30 H37 Cl2 Cu2 N4 O16 -","- C120 H148 Cl8 Cu8 N16 O64 -","4","1","","Pappuru, Sreenath; Idrees, Karam B.; Chen, Zhijie; Shpasser, Dina; Gazit, Oz M.","A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6631","6636","10.1039/d1dt00764e","","","0.71073","MoKα","","0.1014","0.0707","","","0.1825","0.1952","","","","","","1.037","","","","has coordinates","266019","2021-06-05","18:35:33",""
"7707169","14.4585","0.0004","20.3696","0.0006","22.7805","0.0007","90","","90","","90","","6709.2","0.3","173","2","173","2","","","","","","","","6","P n n m","-P 2 2n","58","","TbPCF","","- C96 H90 N4 O49 P6 Tb7 -","- C98.0012 H88.798 N4 O47.8004 P6 Tb6.5 -","- C196.002 H177.596 N8 O95.6008 P12 Tb13 -","2","0.25","","Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming","Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7380","7387","10.1039/d1dt01052b","","Helios Multi--layer Optic","1.34139","","","0.0837","0.0562","","","0.1531","0.1703","","","","","","1.031","","","","has coordinates,has disorder","266097","2021-06-05","18:59:30",""
"7707170","14.4962","0.0006","20.3758","0.0008","22.8688","0.0011","90","","90","","90","","6754.8","0.5","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","GdPCF","","- C96 H76 Gd7 N4 O49 P6 -","- C98.002 H70 Gd6.5 N4 O48 P6 -","- C196.004 H140 Gd13 N8 O96 P12 -","2","0.25","","Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming","Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7380","7387","10.1039/d1dt01052b","","","1.34139","GaKα","","0.0789","0.0567","","","0.1571","0.1742","","","","","","1.048","","","","has coordinates,has disorder","266097","2021-06-05","18:59:32",""
"7707171","14.5138","0.0005","20.4301","0.0008","22.9139","0.0009","90","","90","","90","","6794.4","0.4","172","2","172","2","","","","","","","","6","P n n m","-P 2 2n","58","","EuPCF","","- C96 H70 Eu7 N4 O49 P6 -","- C96 H70 Eu6.5 N4 O47.818 P6 -","- C192 H140 Eu13 N8 O95.636 P12 -","2","0.25","","Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming","Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7380","7387","10.1039/d1dt01052b","","","1.34139","GaKα","","0.0617","0.055","","","0.1519","0.1585","","","","","","1.109","","","","has coordinates,has disorder","266097","2021-06-05","18:59:32",""
"7707172","11.8921","0.0004","17.7132","0.0006","18.9516","0.0007","90","","96.951","0.003","90","","3962.8","0.2","298.15","","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu12 O21 S12 -","- C12 H30 Cu12 O21 S12 -","- C48 H120 Cu48 O84 S48 -","4","1","","Li, Jia-Ming; Xu, Tian-Yang; Zhao, Ya-Li; Hu, Xing-Liang; He, Kun-Huan","Two 6/10-connected Cu<sub>12</sub>S<sub>6</sub> cluster-based organic frameworks: crystal structure and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7484","7495","10.1039/d1dt00782c","","","0.71073","MoKα","","0.0421","0.0317","","","0.0746","0.0787","","","","","","1.047","","","","has coordinates,has disorder","266108","2021-06-05","19:02:17",""
"7707173","12.4249","0.0007","12.5351","0.0009","19.7599","0.0009","72.31","0.005","82.128","0.004","60.367","0.007","2548.2","0.3","298.15","","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H56 Cu12 O28 S12 -","- C18 H56 Cu12 O28 S12 -","- C36 H112 Cu24 O56 S24 -","2","1","","Li, Jia-Ming; Xu, Tian-Yang; Zhao, Ya-Li; Hu, Xing-Liang; He, Kun-Huan","Two 6/10-connected Cu<sub>12</sub>S<sub>6</sub> cluster-based organic frameworks: crystal structure and proton conduction.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7484","7495","10.1039/d1dt00782c","","x-ray","0.71073","MoKα","","0.042","0.0337","","","0.0841","0.0884","","","","","","1.019","","","","has coordinates,has disorder","266108","2021-06-05","19:02:17",""
"7707174","5.2548","0.0002","12.0864","0.0005","21.0937","0.001","90","","90","","90","","1339.69","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- F O15 Pb2 Se3 V3 -","- F O15 Pb2 Se3 V3 -","- F4 O60 Pb8 Se12 V12 -","4","1","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","First chiral fluorinated lead vanadate selenite Pb<sub>2</sub>(V<sub>2</sub>O<sub>4</sub>F)(VO<sub>2</sub>)(SeO<sub>3</sub>)<sub>3</sub> with five asymmetric motifs and large optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7238","7245","10.1039/d1dt00536g","","","0.71073","MoKα","","0.0465","0.0347","","","0.0654","0.0687","","","","","","0.995","","","","has coordinates","266102","2021-06-05","19:00:34",""
"7707175","19.6279","0.0004","7.76","0.0002","26.5705","0.0006","90","","95.245","0.002","90","","4030.07","0.16","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C36 H32 Fe N6 O6 S4 -","- C36 H32 Fe N6 O6 S4 -","- C144 H128 Fe4 N24 O24 S16 -","4","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.0408","0.0361","","","0.0891","0.0924","","","","","","1.032","","","","has coordinates,has disorder","267159","2021-07-05","17:34:18",""
"7707176","13.5275","0.0006","28.0006","0.0013","27.7775","0.0016","90","","90","","90","","10521.5","0.9","90","2","90","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H24 Fe N6 O4 S4 -","- C42 H24 Fe N6 O4 S4 -","- C336 H192 Fe8 N48 O32 S32 -","8","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.0908","0.0552","","","0.1344","0.1534","","","","","","0.983","","","","has coordinates","267159","2021-07-05","17:34:18",""
"7707177","19.7511","0.0006","7.8183","0.0002","26.7494","0.0007","90","","96.254","0.002","90","","4106.1","0.2","120","2","120","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H32 Fe N6 O6 S2 Se2 -","- C36 H32 Fe N6 O6 S2 Se2 -","- C144 H128 Fe4 N24 O24 S8 Se8 -","4","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.0497","0.0387","","","0.0908","0.0968","","","","","","1.05","","","","has coordinates,has disorder","267159","2021-07-05","17:34:18",""
"7707178","13.6023","0.0007","28.4252","0.0015","28.374","0.0013","90","","90","","90","","10970.8","1","200","2","200","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C42 H24 Fe N6 O4 S4 -","- C42 H24 Fe N6 O4 S4 -","- C336 H192 Fe8 N48 O32 S32 -","8","0.5","","Ghosh, Subrata; Kamilya, Sujit; Pramanik, Titas; Mohanty, Ashutosh; Rouzières, Mathieu; Herchel, Radovan; Mehta, Sakshi; Mondal, Abhishake","Thermo- and photoinduced spin state switching in an iron(II) 2D coordination network associated with large light-induced thermal hysteresis and tuning of dimensionality <i>via</i> ligand modulation.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7725","7735","10.1039/d1dt00212k","","","0.71073","MoKα","","0.1166","0.0643","","","0.1565","0.1833","","","","","","0.958","","","","has coordinates","267159","2021-07-05","17:34:18",""
"7707179","12.778","0.003","13.899","0.003","16.116","0.003","90","","112.11","0.03","90","","2651.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cu F6 N6 P -","- C26 H22 Cu F6 N6 P -","- C104 H88 Cu4 F24 N24 P4 -","4","1","","Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja","A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6444","6462","10.1039/d1dt00832c","","","0.71073","MoKα","","0.0697","0.0448","","","0.1077","0.1195","","","","","","1.034","","","","has coordinates","266012","2021-06-05","18:33:52",""
"7707180","11.375","0.002","11.866","0.002","12.42","0.003","107.92","0.03","106.74","0.03","101.25","0.03","1451.5","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 Cl N5 -","- C36 H26 Cl N5 -","- C72 H52 Cl2 N10 -","2","1","","Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja","A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6444","6462","10.1039/d1dt00832c","","","0.71073","MoKα","","0.1011","0.06","","","0.1385","0.1606","","","","","","1.008","","","","has coordinates","266012","2021-06-05","18:33:52",""
"7707181","11.931","0.002","15.931","0.003","21.581","0.004","89.59","0.03","76.64","0.03","87.33","0.03","3986.6","1.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C79 H64 Cl8 Cu2 F12 N12 P2 -","- C79 H64 Cl8 Cu2 F12 N12 P2 -","- C158 H128 Cl16 Cu4 F24 N24 P4 -","2","1","","Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja","A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6444","6462","10.1039/d1dt00832c","","x-ray","1.54186","CuKα","","0.1502","0.0823","","","0.2177","0.2393","","","","","","0.978","","","","has coordinates","266012","2021-06-05","18:33:52",""
"7707182","11.707","0.004","21.831","0.007","11.757","0.004","90","","113.371","0.007","90","","2758.3","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N6 -","- C35 H28 N6 -","- C140 H112 N24 -","4","1","","Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja","A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6444","6462","10.1039/d1dt00832c","","","0.71073","MoKα","","0.1097","0.0506","","","0.1054","0.1157","","","","","","0.792","","","","has coordinates","266012","2021-06-05","18:33:52",""
"7707183","11.877","0.002","18.917","0.004","18.418","0.004","90","","96.14","0.03","90","","4114.4","1.4","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H60 Cl12 Cu2 F12 N12 P2 -","- C74 H60 Cl12 Cu2 F12 N12 P2 -","- C148 H120 Cl24 Cu4 F24 N24 P4 -","2","0.5","","Thomas, Fabian; Oster, Matthias; Schön, Florian; Göbgen, Kai C; Amarouch, Benedikt; Steden, Dominik; Hoffmann, Alexander; Herres-Pawlis, Sonja","A new generation of terminal copper nitrenes and their application in aromatic C-H amination reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6444","6462","10.1039/d1dt00832c","","x-ray","0.71073","MoKα","","0.1335","0.0503","","","0.0972","0.1073","","","","","","0.811","","","","has coordinates","266012","2021-06-05","18:33:52",""
"7707184","11.1222","0.0008","7.8437","0.0008","21.7183","0.0017","90","","90","","90","","1894.7","0.3","173","","173","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7843","7853","10.1039/d1dt01069g","","x-ray","0.71073","MoKα","","0.0665","0.0554","","","0.1202","0.124","","","","","","1.237","","","","has coordinates","267163","2021-07-05","17:34:49",""
"7707185","10.7848","0.0018","7.5554","0.0018","21.527","0.004","90","","90","","90","","1754.1","0.6","250","","250","","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Co N4 O2 -","- C20 H18 Cl2 Co N4 O2 -","- C80 H72 Cl8 Co4 N16 O8 -","4","0.5","","Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7843","7853","10.1039/d1dt01069g","","x-ray","0.71073","MoKα","","0.1678","0.0891","","","0.2017","0.2397","","","","","","1.012","","","","has coordinates","267163","2021-07-05","17:34:49",""
"7707186","8.6789","0.0005","13.8285","0.0005","10.2562","0.0006","90","","113.332","0.007","90","","1130.25","0.12","173","","173","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H14 Cl2 Co N4 -","- C22 H14 Cl2 Co N4 -","- C44 H28 Cl4 Co2 N8 -","2","0.5","","Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7843","7853","10.1039/d1dt01069g","","x-ray","0.71073","MoKα","","0.0453","0.0314","","","0.0715","0.0763","","","","","","1.031","","","","has coordinates,has disorder","267163","2021-07-05","17:34:49",""
"7707187","8.377","0.002","13.222","0.003","9.678","0.003","90","","114.06","0.04","90","","978.8","0.5","123","","123","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C22 H16 Cl2 Co N4 O3 -","- C22 H16 Cl2 Co N4 O3 -","- C44 H32 Cl4 Co2 N8 O6 -","2","0.5","","Zenno, Hikaru; Kobayashi, Fumiya; Nakamura, Masaaki; Sekine, Yoshihiro; Lindoy, Leonard F.; Hayami, Shinya","Hydrogen bond-induced abrupt spin crossover behaviour in 1-D cobalt(II) complexes - the key role of solvate water molecules.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7843","7853","10.1039/d1dt01069g","","x-ray","0.71073","MoKα","","0.1256","0.0558","","","0.1108","0.1372","","","","","","0.995","","","","has coordinates,has disorder","267163","2021-07-05","17:34:49",""
"7707188","19.0882","0.0003","23.0497","0.0004","25.0491","0.0006","114.402","0.002","100.742","0.002","101.388","0.002","9385.3","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Na6.4 Nb12 O81.75 Ru4 V -","- C24 H24 Na6.4 Nb12 O81.75 Ru4 V -","- C96 H96 Na25.6 Nb48 O327 Ru16 V4 -","4","2","","Mukhacheva, Anna A.; Volcheck, Victoria V.; Sheven, Dmitry G.; Yanshole, Vadim V.; Kompankov, Nikolay B.; Haouas, Mohamed; Abramov, Pavel A.; Sokolov, Maxim N.","Coordination capacity of Keggin anions as polytopic ligands: case study of [VNb<sub>12</sub>O<sub>40</sub>]<sup>15</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7078","7084","10.1039/d1dt00765c","","x-ray","0.71073","MoKα","","0.0972","0.053","","","0.0992","0.1134","","","","","","0.995","","","","has coordinates,has disorder","266035","2021-06-05","18:39:10",""
"7707189","14.1141","0.0007","16.3111","0.001","22.4722","0.0009","92.167","0.004","93.075","0.004","114.998","0.005","4671.6","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 Na4.55 Nb12 O64.25 Ru5 V -","- C30 H30 Na4.55 Nb12 O64.25 Ru5 V -","- C60 H60 Na9.1 Nb24 O128.5 Ru10 V2 -","2","1","","Mukhacheva, Anna A.; Volcheck, Victoria V.; Sheven, Dmitry G.; Yanshole, Vadim V.; Kompankov, Nikolay B.; Haouas, Mohamed; Abramov, Pavel A.; Sokolov, Maxim N.","Coordination capacity of Keggin anions as polytopic ligands: case study of [VNb<sub>12</sub>O<sub>40</sub>]<sup>15</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7078","7084","10.1039/d1dt00765c","","x-ray","0.71073","MoKα","","0.1746","0.0784","","","0.1625","0.1928","","","","","","0.942","","","","has coordinates","266035","2021-06-05","18:39:11",""
"7707190","8.3711","0.0002","9.4395","0.0002","16.1734","0.0004","90","","90","","90","","1278.01","0.05","293","2","293","2","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H12 Br Hg I2 N -","- C4 H11.25 Br Hg I2 N -","- C16 H45 Br4 Hg4 I8 N4 -","4","1","","Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei","Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7563","7570","10.1039/d1dt01085a","","","0.71073","MoKα","","0.1229","0.0836","","","0.2083","0.2316","","","","","","1.103","","","","has coordinates,has disorder","267148","2021-07-05","17:30:27",""
"7707191","8.3889","0.0019","9.4194","0.0017","16.052","0.003","90","","90","","90","","1268.4","0.4","273.15","","273.15","","","","","","","","","6","P m c 21","P 2c -2","26","","","","- C4 H12 Cl0.45 Hg I2.55 N -","- C4 H12 Cl0.445 Hg I2.555 N0.75 -","- C16 H48 Cl1.78 Hg4 I10.22 N3 -","4","1","","Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei","Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7563","7570","10.1039/d1dt01085a","","","0.71073","MoKα","","0.1964","0.0932","","","0.2195","0.2576","","","","","","0.995","","","","has coordinates,has disorder","267148","2021-07-05","17:30:32",""
"7707192","7.6895","0.0005","15.8557","0.0007","8.957","0.0004","90","","93.905","0.005","90","","1089.52","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H24 Br4.73 Cl1.26 Hg2 N2 -","- C8 H24 Br4.73 Cl1.27 Hg2 N2 -","- C16 H48 Br9.46 Cl2.54 Hg4 N4 -","2","1","","Yang, Can; Liu, Xian; Teng, Chunlin; Wu, Qi; Liang, Fei","Syntheses, structure and properties of a new series of organic-inorganic Hg-based halides: adjusting halogens resulted in huge performance mutations.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7563","7570","10.1039/d1dt01085a","","","0.71073","MoKα","","0.0759","0.0659","","","0.1797","0.1871","","","","","","1.046","","","","has coordinates,has disorder","267148","2021-07-05","17:30:32",""
"7707193","24.8742","0.001","17.6602","0.0008","26.6397","0.0011","90","","96.624","0.004","90","","11624.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H139 B4 N13 Ni2 -","- C134 H139 B4 N13 Ni2 -","- C536 H556 B16 N52 Ni8 -","4","1","","Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7984","7994","10.1039/d0dt03887c","","","0.71073","MoKα","","0.1909","0.0942","","","0.2271","0.2901","","","","","","1.02","","","","has coordinates","267185","2021-07-05","17:41:54",""
"7707194","11.7462","0.0007","15.1861","0.0009","25.956","0.0016","90","","90","","90","","4630","0.5","290.9","0.4","290.9","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(mu2-carbonatato)-diaqua-bis(1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1,4-diazepane-N,N',N"")-di-nickel(II) diperchlorate acetone solvate dihydrate","(mu2-carbonatato)-diaqua-bis(1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1,4-diazepane-N,N',N"")-di-nickel(II) diperchlorate acetone solvate dihydrate","","- C34 H64 Cl2 N6 Ni2 O18 -","- C34 H64 Cl2 N6 Ni2 O18 -","- C136 H256 Cl8 N24 Ni8 O72 -","4","1","","Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7984","7994","10.1039/d0dt03887c","","x-ray","0.71073","MoKα","","0.0648","0.0522","","","0.1178","0.1285","","","","","","1.006","","","","has coordinates,has disorder","267185","2021-07-05","17:41:54",""
"7707195","31.3574","0.0016","11.0783","0.0005","21.4842","0.001","90","","90","","90","","7463.3","0.6","291.19","0.18","291.19","0.18","","","","","","","","6","P n a 21","P 2c -2n","33","(mu2-carbonatato)-bis(acetonitrile)-bis[1-methyl-4-(2-pyridin-2-ylethyl)-1,4-diazepane-N,N',N""]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate (1:2)","(mu2-carbonatato)-bis(acetonitrile)-bis[1-methyl-4-(2-pyridin-2-ylethyl)-1,4-diazepane-N,N',N""]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate (1:2)","","- C83 H94 B2 N10 Ni2 O3 -","- C83 H94 B2 N10 Ni2 O3 -","- C332 H376 B8 N40 Ni8 O12 -","4","1","","Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7984","7994","10.1039/d0dt03887c","","x-ray","0.71073","MoKα","","0.0572","0.0396","","","0.062","0.0708","","","","","","1.02","","","","has coordinates","267185","2021-07-05","17:41:55",""
"7707196","13.9721","0.0005","14.2148","0.0005","20.9208","0.0007","92.908","0.003","106.598","0.003","113.393","0.003","3590.4","0.3","291.3","0.2","291.3","0.2","","","","","","","","6","P -1","-P 1","2","(mu2-carbonatato)-acetonitrile-aqua-bis[1-methyl-4-(2-pyridin-2-ylmethyl)-1,4-diazepane-N,N',N""]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate hydrate","(mu2-carbonatato)-acetonitrile-aqua-bis[1-methyl-4-(2-pyridin-2-ylmethyl)-1,4-diazepane-N,N',N""]-di-nickel(II) bis(tetraphenylborate) acetonitrile solvate hydrate","","- C77 H86 B2 N8 Ni2 O4 -","- C77 H86 B2 N8 Ni2 O4 -","- C154 H172 B4 N16 Ni4 O8 -","2","1","","Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7984","7994","10.1039/d0dt03887c","","x-ray","0.71073","MoKα","","0.0781","0.0494","","","0.103","0.1228","","","","","","1.06","","","","has coordinates","267185","2021-07-05","17:41:55",""
"7707197","17.0748","0.0009","7.2456","0.0004","21.3863","0.001","90","","90","","90","","2645.9","0.2","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 Co N2 O8 -","- C11 H14 Co N2 O8 -","- C88 H112 Co8 N16 O64 -","8","1","","Liang, Shuai; Ge, Fa-Yuan; Ren, Shuang-Shuang; Lei, Ming-Yuan; Gao, Xiang-Jing; Zheng, He-Gen","Molecular engineering in a family of pillared-layered metal-organic frameworks for tuning gas adsorption behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7409","7416","10.1039/d1dt00431j","","","0.71073","MoKα","","0.0484","0.0305","","","0.0641","0.0701","","","","","","1.036","","","","has coordinates","266095","2021-06-05","18:59:03",""
"7707198","15.5398","0.0013","10.0374","0.0009","19.0268","0.0019","90","","90.593","0.003","90","","2967.6","0.5","296.15","","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25 H16 Co N6 O4 -","- C25 H16 Co N6 O4 -","- C100 H64 Co4 N24 O16 -","4","1","","Liang, Shuai; Ge, Fa-Yuan; Ren, Shuang-Shuang; Lei, Ming-Yuan; Gao, Xiang-Jing; Zheng, He-Gen","Molecular engineering in a family of pillared-layered metal-organic frameworks for tuning gas adsorption behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7409","7416","10.1039/d1dt00431j","","","0.71073","MoKα","","0.0877","0.0617","","","0.154","0.1699","","","","","","1.039","","","","has coordinates,has disorder","266095","2021-06-05","18:59:04",""
"7707199","19.079","0.004","10.058","0.002","31.296","0.006","90","","92.92","0.03","90","","5998","2","190.07","","190.07","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C54 H36 Co2 N8 O8 -","- C54 Co2 N8 O8 -","- C216 Co8 N32 O32 -","4","1","","Liang, Shuai; Ge, Fa-Yuan; Ren, Shuang-Shuang; Lei, Ming-Yuan; Gao, Xiang-Jing; Zheng, He-Gen","Molecular engineering in a family of pillared-layered metal-organic frameworks for tuning gas adsorption behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7409","7416","10.1039/d1dt00431j","","","1.34139","GaKα","","0.0882","0.0679","","","0.187","0.2024","","","","","","1.044","","","","has coordinates,has disorder","266095","2021-06-05","18:59:04",""
"7707200","31.3666","0.001","20.0379","0.0007","19.0191","0.0006","90","","94.392","0.001","90","","11918.8","0.7","296.15","","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 Co2 F4 N8 O8 -","- C54 H32 Co2 F4 N8 O8 -","- C432 H256 Co16 F32 N64 O64 -","8","1","","Liang, Shuai; Ge, Fa-Yuan; Ren, Shuang-Shuang; Lei, Ming-Yuan; Gao, Xiang-Jing; Zheng, He-Gen","Molecular engineering in a family of pillared-layered metal-organic frameworks for tuning gas adsorption behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7409","7416","10.1039/d1dt00431j","","","0.71073","MoKα","","0.1233","0.0805","","","0.2255","0.2723","","","","","","1.035","","","","has coordinates,has disorder","266095","2021-06-05","18:59:04",""
"7707201","15.4162","0.0015","18.938","0.0017","21.0858","0.0019","63.501","0.002","71.908","0.003","84.15","0.003","5232.1","0.8","150","2","149.98","","","","","","","","","9","P -1","-P 1","2","","","","- C42 H44 Cu4 K N14 Nb9 O42 Te V2 -","- C42 H44 Cu4 K N14 Nb9 O42 Te V2 -","- C84 H88 Cu8 K2 N28 Nb18 O84 Te2 V4 -","2","1","","Yang, Zongfei; Shang, Jingjing; Yang, Yuanyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Synthesis, structures and stability of three V-substituted polyoxoniobate clusters based on [TeNb<sub>9</sub>O<sub>33</sub>]<sup>17-</sup> units.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7610","7620","10.1039/d1dt00223f","","","0.71073","MoKα","","0.1415","0.0694","","","0.1633","0.2055","","","","","","0.985","","","","has coordinates","267158","2021-07-05","17:34:00",""
"7707202","12.824","0.004","12.873","0.005","27.492","0.014","79.58","0.016","82.368","0.016","60.151","0.009","3867","3","150","2","150","","","","","","","","","10","P -1","-P 1","2","","","","- C6 H24 Cu3 K5 N6 Na2.5 Nb9 O60.5 Te V3 -","- C6 H24 Cu3 K5 N6 Na2.5 Nb9 O60.5 Te V3 -","- C12 H48 Cu6 K10 N12 Na5 Nb18 O121 Te2 V6 -","2","1","","Yang, Zongfei; Shang, Jingjing; Yang, Yuanyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Synthesis, structures and stability of three V-substituted polyoxoniobate clusters based on [TeNb<sub>9</sub>O<sub>33</sub>]<sup>17-</sup> units.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7610","7620","10.1039/d1dt00223f","","","0.71073","MoKα","","0.0561","0.0457","","","0.1068","0.1136","","","","","","1.041","","","","has coordinates,has disorder","267158","2021-07-05","17:34:00",""
"7707203","12.7909","0.0006","12.8502","0.0005","24.5446","0.0011","92.939","0.002","90.728","0.002","119.948","0.001","3487.6","0.3","150","2","149.98","","","","","","","","","10","P -1","-P 1","2","","","","- C9 H30 Cu3 K3 N6 Na5 Nb9 O62 Te V3 -","- C9 H30 Cu3 K3 N6 Na5 Nb9 O62 Te V3 -","- C18 H60 Cu6 K6 N12 Na10 Nb18 O124 Te2 V6 -","2","1","","Yang, Zongfei; Shang, Jingjing; Yang, Yuanyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Synthesis, structures and stability of three V-substituted polyoxoniobate clusters based on [TeNb<sub>9</sub>O<sub>33</sub>]<sup>17-</sup> units.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7610","7620","10.1039/d1dt00223f","","","0.71073","MoKα","","0.0593","0.0396","","","0.0817","0.0925","","","","","","1.04","","","","has coordinates","267158","2021-07-05","17:34:00",""
"7707204","15.7142","0.0011","11.0458","0.0008","12.8792","0.0009","90","","107.916","0.003","90","","2127.1","0.3","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B2 N2 O4 -","- C20 H30 B2 N2 O4 -","- C80 H120 B8 N8 O16 -","4","1","","Gao, Liuzhou; Zhang, Hanyin; Liu, Xueting; Wang, Guoqiang; Li, Shuhua","Mechanistic insights into the dearomative diborylation of pyrazines: a radical or non-radical process?","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6982","6990","10.1039/d1dt00921d","","","1.34139","GaKα","","0.0466","0.0424","","","0.1152","0.1199","","","","","","1.061","","","","has coordinates","266031","2021-06-05","18:38:08",""
"7707205","11.3617","0.0004","11.4387","0.0004","25.1626","0.0009","87.128","0.001","82.543","0.001","82.497","0.001","3213","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C74 H55.54 Cl6 Ir N4 O6.27 S -","- C74 H55.54 Cl6 Ir N4 O6.27 S -","- C148 H111.08 Cl12 Ir2 N8 O12.54 S2 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0531","0.0427","","","0.0986","0.1028","","","","","","1.043","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707206","14.6748","0.0009","15.3911","0.0008","15.5092","0.001","93.94","0.002","107.762","0.002","106.996","0.002","3141.9","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C70.3 H45.6 Cl4.6 Ir N4 O4 S -","- C70.3 H45.6 Cl4.6 Ir N4 O4 S -","- C140.6 H91.2 Cl9.2 Ir2 N8 O8 S2 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0934","0.0699","","","0.1847","0.2006","","","","","","1.046","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707207","24.51","0.003","22.242","0.003","22.805","0.003","90","","115.06","0.002","90","","11262","3","150.15","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C116 H84 Cl2 Ir2 N8 O8 -","- C116 H84 Cl2 Ir2 N8 O8 -","- C464 H336 Cl8 Ir8 N32 O32 -","4","0.5","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0751","0.0502","","","0.1117","0.1197","","","","","","1.069","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707208","23.5656","0.0015","17.6138","0.0011","29.183","0.002","90","","98.663","0.002","90","","11975.1","1.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C70.5 H46 Cl3 F2 Ir N4 O4 S -","- C70.5 H46 Cl3 F2 Ir N4 O4 S -","- C564 H368 Cl24 F16 Ir8 N32 O32 S8 -","8","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.093","0.0733","","","0.2026","0.2188","","","","","","1.061","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707209","17.8595","0.0011","18.4756","0.001","19.4513","0.0011","69.415","0.002","64.151","0.002","79.109","0.002","5402.4","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C108 H64 Cl6 Ir2 N8 -","- C108 H64 Cl6 Ir2 N8 -","- C216 H128 Cl12 Ir4 N16 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0612","0.0485","","","0.1327","0.1405","","","","","","1.045","","","","has coordinates","266039","2021-06-05","18:40:52",""
"7707210","13.7602","0.0005","18.4965","0.0005","22.4727","0.0006","111.718","0.001","97.918","0.001","105.241","0.001","4947.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H39.5 Ir N4.5 O2 S0.5 -","- C62 H39.5 Ir N4.5 O2 S0.5 -","- C248 H158 Ir4 N18 O8 S2 -","4","2","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0537","0.0365","","","0.0793","0.0858","","","","","","1.014","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707211","15.7615","0.0004","19.7594","0.0006","21.2004","0.0006","84.982","0.001","68.235","0.001","77.228","0.001","5980.1","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C70.3 H46.95 Ir N4.65 O4 S -","- C70.3 H46.95 Ir N4.65 O4 S -","- C281.2 H187.8 Ir4 N18.6 O16 S4 -","4","2","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0727","0.0528","","","0.1554","0.1676","","","","","","1.066","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707212","29.578","0.01","24.131","0.008","20.493","0.008","90","","126.799","0.009","90","","11712","7","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H64 Cl2 F4 Ir2 N8 -","- C108 H64 Cl2 F4 Ir2 N8 -","- C432 H256 Cl8 F16 Ir8 N32 -","4","0.5","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0914","0.0544","","","0.1315","0.1488","","","","","","0.979","","","","has coordinates","266039","2021-06-05","18:40:52",""
"7707213","23.0818","0.0017","11.7771","0.0008","22.3446","0.0016","90","","90","","90","","6074.1","0.7","150","","150","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C73.45 H54.8 Ir N4 O8.45 S -","- C73.45 H54.8 Ir N4 O8.45 S -","- C293.8 H219.2 Ir4 N16 O33.8 S4 -","4","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0493","0.04","","","0.0964","0.101","","","","","","1.023","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707214","13.8139","0.0005","19.0358","0.0008","20.5748","0.0007","73.412","0.001","70.691","0.001","74.102","0.001","4796.1","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H76 Cl2 Ir2 N8 O4 -","- C112 H76 Cl2 Ir2 N8 O4 -","- C224 H152 Cl4 Ir4 N16 O8 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.046","0.0386","","","0.0928","0.0963","","","","","","1.027","","","","has coordinates","266039","2021-06-05","18:40:52",""
"7707215","12.202","0.003","20.438","0.005","21.092","0.006","99.336","0.008","101.46","0.009","102.695","0.008","4911","2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C126 H78 Cl4 Ir2 N10 O4 S -","- C126 H78 Cl4 Ir2 N10 O4 S -","- C252 H156 Cl8 Ir4 N20 O8 S2 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.1229","0.0531","","","0.0922","0.1154","","","","","","0.999","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707216","15.9214","0.001","19.4903","0.0012","20.824","0.0013","89.263","0.002","69.208","0.002","68.446","0.002","5567.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H49.5 Ir N6.5 O4 S0.5 -","- C68 H49.5 Ir N6.5 O4 S0.5 -","- C272 H198 Ir4 N26 O16 S2 -","4","2","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0598","0.0424","","","0.1041","0.1141","","","","","","1.023","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707217","14.2021","0.0015","19.393","0.002","23.025","0.002","105.08","0.003","101.124","0.003","90.032","0.004","5999.5","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C144 H113 Ir2 N15 O12 S -","- C144 H113 Ir2 N15 O12 S -","- C288 H226 Ir4 N30 O24 S2 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.051","0.0346","","","0.0648","0.0693","","","","","","1.036","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707218","17.471","0.002","17.75","0.002","18.145","0.002","104.068","0.004","107.253","0.004","93.552","0.004","5157.7","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C131 H85.5 F4 Ir2 N12.5 O4 S -","- C131 H85.5 F4 Ir2 N12.5 O4 S -","- C262 H171 F8 Ir4 N25 O8 S2 -","2","1","","Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.","Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6889","6900","10.1039/d1dt00820j","","x-ray","0.71073","MoKα","","0.0405","0.0297","","","0.0694","0.0748","","","","","","1.035","","","","has coordinates,has disorder","266039","2021-06-05","18:40:52",""
"7707219","8.7146","0.0004","6.1071","0.0003","8.9467","0.0005","90","","93.483","0.004","90","","475.27","0.04","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C H4 Be0.5 F N -","- C H4 Be0.5 F N -","- C8 H32 Be4 F8 N8 -","8","1","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0357","0.033","","","0.0846","0.0864","","","","","","1.134","","","","has coordinates","266105","2021-06-05","19:01:21",""
"7707220","13.9529","0.0002","14.0186","0.0003","48.6062","0.0007","90","","90.185","0.001","90","","9507.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H64 Be4 Cl N23 S7 -","- C23 H64 Be4 Cl N23 S7 -","- C184 H512 Be32 Cl8 N184 S56 -","8","2","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0775","0.0554","","","0.1331","0.1498","","","","","","1.031","","","","has coordinates,has disorder","266105","2021-06-05","19:01:21",""
"7707221","7.3971","0.0002","7.4939","0.0002","12.4382","0.0003","101.461","0.002","97.088","0.002","90.561","0.002","670.16","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H24 Be Cl2 N6 -","- C6 H24 Be Cl2 N6 -","- C12 H48 Be2 Cl4 N12 -","2","1","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0389","0.0358","","","0.0932","0.096","","","","","","1.071","","","","has coordinates","266105","2021-06-05","19:01:21",""
"7707222","10.503","0.0004","9.3016","0.0003","14.8498","0.0006","90","","105.734","0.003","90","","1396.39","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tris(Ethane-1,2-diamine)berylliumazide","","- C6 H24 Be N12 -","- C6 H24 Be N12 -","- C24 H96 Be4 N48 -","4","0.5","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0355","0.0308","","","0.0853","0.0883","","","","","","1.036","","","","has coordinates","266105","2021-06-05","19:01:21",""
"7707223","7.5193","0.0003","7.6801","0.0004","12.6503","0.0005","79.817","0.004","83.317","0.003","89.851","0.004","714.03","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H24 Be Br2 N6 -","- C6 H24 Be Br2 N6 -","- C12 H48 Be2 Br4 N12 -","2","1","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0238","0.0215","","","0.0543","0.0556","","","","","","1.067","","","","has coordinates","266105","2021-06-05","19:01:21",""
"7707224","10.5372","0.0003","11.0027","0.0003","13.3669","0.0003","104.35","0.002","109.886","0.002","97.482","0.002","1372.15","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H36 Be3 N12 O3 S4 -","- C12 H36 Be3 N12 O3 S4 -","- C24 H72 Be6 N24 O6 S8 -","2","1","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0403","0.0307","","","0.0727","0.0775","","","","","","1.013","","","","has coordinates","266105","2021-06-05","19:01:21",""
"7707225","11.5044","0.0003","8.3921","0.0001","15.9669","0.0004","90","","100.712","0.002","90","","1514.68","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H12 Be0.5 I N3 -","- C3 H12 Be0.5 I N3 -","- C24 H96 Be4 I8 N24 -","8","1","","Buchner, Magnus R.; Müller, Matthias","Ethylenediamine complexes of the beryllium halides and pseudo-halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7246","7255","10.1039/d1dt01154e","","","1.54178","CuKα","","0.0398","0.0392","","","0.1152","0.1165","","","","","","1.042","","","","has coordinates","266105","2021-06-05","19:01:21",""
"7707226","26.2183","0.0007","23.5289","0.001","15.3542","0.0005","90","","90","","90","","9471.8","0.6","100","2","100","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C36 H28 Co2 N2 O16 -","- C36 H28 Co2 N2 O16 -","- C288 H224 Co16 N16 O128 -","8","0.5","","Winterlich, Meghan; McHugh, Darragh; O'Toole, Evan; Skordi, Katerina; O'Malley, Ciaran; Sanii, Rana; Tasiopoulos, Anastasios; Erxleben, Andrea; Mayans, Júlia; Morrison, Liam; McArdle, Patrick; Zaworotko, Michael J.; Tylianakis, Emmanuel; Froudakis, George; Papatriantafyllopoulou, Constantina","Expanding the NUIG MOF family: synthesis and characterization of new MOFs for selective CO<sub>2</sub> adsorption, metal ion removal from aqueous systems, and drug delivery applications.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6997","7006","10.1039/d1dt00940k","","","1.54184","CuKα","","0.0832","0.0675","","","0.1973","0.2108","","","","","","1.078","","","","has coordinates","266041","2021-06-05","18:41:20",""
"7707227","25.025","0.002","4.8946","0.0004","6.9706","0.001","90","","93.901","0.01","90","","851.83","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PH2C(O)NHNH2","","- C H5 N2 O P -","- C H5 N2 O P -","- C8 H40 N16 O8 P8 -","8","2","","Faria, Erica N.; Jupp, Andrew R.; Goicoechea, Jose M.","Novel primary phosphinecarboxamides derived from diamines.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6991","6996","10.1039/d1dt01198g","","","1.54184","CuKα","","0.1063","0.0788","","","0.2102","0.2203","","","","","","1.127","","","","has coordinates","266047","2021-06-05","18:43:03",""
"7707228","13.9885","0.0002","11.7814","0.0001","14.7581","0.0002","90","","109.502","0.001","90","","2292.66","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PH2C(O)NHNH2*0.5(18-crown-6)","","- C7 H17 N2 O4 P -","- C7 H17 N2 O4 P -","- C56 H136 N16 O32 P8 -","8","2","","Faria, Erica N.; Jupp, Andrew R.; Goicoechea, Jose M.","Novel primary phosphinecarboxamides derived from diamines.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6991","6996","10.1039/d1dt01198g","","","1.54184","CuKα","","0.0566","0.0551","","","0.1317","0.1329","","","","","","1.038","","","","has coordinates","266047","2021-06-05","18:43:03",""
"7707229","16.5692","0.0003","8.8974","0.0002","12.9189","0.0003","90","","90","","90","","1904.54","0.07","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","[K(18-crown-6)][PHC(O)NHNH2]","","- C13 H28 K N2 O7 P -","- C13 H28 K N2 O7 P -","- C52 H112 K4 N8 O28 P4 -","4","1","","Faria, Erica N.; Jupp, Andrew R.; Goicoechea, Jose M.","Novel primary phosphinecarboxamides derived from diamines.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6991","6996","10.1039/d1dt01198g","","","0.71073","MoKα","","0.0349","0.0292","","","0.0587","0.062","","","","","","1.059","","","","has coordinates,has disorder","266047","2021-06-05","18:43:03",""
"7707230","7.1091","0.0002","4.9133","0.0001","12.5171","0.0003","90","","92.067","0.002","90","","436.927","0.018","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","PH2C(O)NHCH2CH2NHC(O)PH2","","- C4 H10 N2 O2 P2 -","- C4 H10 N2 O2 P2 -","- C8 H20 N4 O4 P4 -","2","0.5","","Faria, Erica N.; Jupp, Andrew R.; Goicoechea, Jose M.","Novel primary phosphinecarboxamides derived from diamines.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6991","6996","10.1039/d1dt01198g","","","1.54178","CuKα","","0.0242","0.0238","","","0.0617","0.062","","","","","","1.134","","","","has coordinates","266047","2021-06-05","18:43:03",""
"7707231","4.977","0.003","14.025","0.008","9.376","0.005","90","","101.906","0.008","90","","640.4","0.6","203","2","203","2","","","","","","","Synthetic","5","P 1 21/c 1","-P 2ybc","14","","KGaCu(PO4)2","","- Cu Ga K O8 P2 -","- Cu Ga K O8 P2 -","- Cu4 Ga4 K4 O32 P8 -","4","1","","Chen, Xiao-Hui; Guo, Run-Ze; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Crystal structure and magnetic properties of the magnetically isolated zigzag chain in KGaCu(PO<sub>4</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7835","7842","10.1039/d1dt00819f","","","0.71073","MoKα","","0.0691","0.058","","","0.1211","0.128","","","","","","1.179","","","","has coordinates","267160","2021-07-05","17:34:25",""
"7707232","19.7798","0.0009","16.8149","0.0005","19.3768","0.0009","90","","117.717","0.006","90","","5705.1","0.5","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H80 B2 Br Li N4 O4 Sn -","- C57 H80 B2 Br Li N4 O4 Sn -","- C228 H320 B8 Br4 Li4 N16 O16 Sn4 -","4","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","x-ray","1.54184","CuKα","","0.0611","0.0497","","","0.1307","0.1441","","","","","","1.025","","","","has coordinates","268771","2021-09-06","11:14:29",""
"7707233","29.0119","0.0002","15.7055","0.0001","28.1694","0.0003","90","","103.568","0.001","90","","12477.1","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C126 H162 B4 K4 N8 O8 -","- C126 H162 B4 K4 N8 O8 -","- C504 H648 B16 K16 N32 O32 -","4","0.5","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.54184","CuKα","","0.0729","0.0654","","","0.1996","0.21","","","","","","1.072","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707234","12.4748","0.0003","20.5322","0.0004","39.6202","0.0009","90","","90","","90","","10148.1","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C106 H144 B4 N8 O4 -","- C106 H144 B4 N8 O4 -","- C424 H576 B16 N32 O16 -","4","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.5418","CuKα","","0.0812","0.0714","","0.1889","0.1812","0.1889","","","","","","0.9963","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707235","10.341","0.0001","21.4584","0.0001","27.4349","0.0001","90","","92.851","0.001","90","","6080.31","0.07","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 B2 Br Li N4 O5 Sn -","- C58 H80 B2 Br Li N4 O5 Sn -","- C232 H320 B8 Br4 Li4 N16 O20 Sn4 -","4","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.54184","CuKα","","0.0367","0.0343","","","0.0867","0.0887","","","","","","1.018","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707236","20.0173","0.0002","12.9464","0.0001","24.1828","0.0002","90","","111.287","0.001","90","","5839.44","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H84 B2 N4 O2 Sn -","- C58 H84 B2 N4 O2 Sn -","- C232 H336 B8 N16 O8 Sn4 -","4","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.54184","CuKα","","0.045","0.038","","","0.1005","0.1062","","","","","","1.016","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707237","9.9561","0.0001","22.1784","0.0003","29.1176","0.0003","90","","97.887","0.001","90","","6368.65","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H89 B2 N6 O4 Sn -","- C64 H89 B2 N6 O4 Sn -","- C256 H356 B8 N24 O16 Sn4 -","4","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.54184","CuKα","","0.0506","0.0419","","","0.1084","0.1156","","","","","","1.025","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707238","12.7358","0.0002","12.7358","0.0002","69.4576","0.0016","90","","90","","90","","11266.1","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C58 H78 B2 N4 O Sn -","- C58 H78 B2 N4 O Sn -","- C464 H624 B16 N32 O8 Sn8 -","8","0.5","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.54184","CuKα","","0.0815","0.0781","","","0.1725","0.1745","","","","","","1.138","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707239","14.3697","0.0003","14.8194","0.0003","28.2627","0.0006","77.969","0.002","78.949","0.002","67.294","0.002","5388.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H144 B4 N8 O9 Sn3 -","- C108 H144 B4 N8 O9 Sn3 -","- C216 H288 B8 N16 O18 Sn6 -","2","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.54184","CuKα","","0.0362","0.0307","","","0.0757","0.079","","","","","","1.025","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707240","5.6724","0.0003","9.5997","0.0005","11.471","0.0005","76.473","0.002","89.157","0.002","76.126","0.002","589.02","0.05","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H22 N4 O2 -","- C30 H22 N4 O2 -","- C30 H22 N4 O2 -","1","0.5","","Chainok, Kittipong; Jittirattanakun, Siripak; Theppitak, Chatphorn; Jiajaroen, Suwadee; Puangsing, Praifon; Saphu, Watcharin; Kielar, Filip; Dungkaew, Winya; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol","Coordination-driven self-assembly of a series of dinuclear M<sub>2</sub>L<sub>2</sub> mesocates with a bis-bidentate pyridylimine ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7736","7743","10.1039/d1dt00146a","","x-ray","0.71073","MoKα","K-L~3~","0.0689","0.0495","","","0.1345","0.1461","","","","","","1.072","","","","has coordinates","267149","2021-07-05","17:30:47",""
"7707241","21.1254","0.0006","13.9281","0.0004","24.4535","0.0009","90","","109.974","0.001","90","","6762.3","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C137 H124 Co4 N24 O17 S8 -","- C137 H124 Co4 N24 O17 S8 -","- C274 H248 Co8 N48 O34 S16 -","2","0.25","","Chainok, Kittipong; Jittirattanakun, Siripak; Theppitak, Chatphorn; Jiajaroen, Suwadee; Puangsing, Praifon; Saphu, Watcharin; Kielar, Filip; Dungkaew, Winya; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol","Coordination-driven self-assembly of a series of dinuclear M<sub>2</sub>L<sub>2</sub> mesocates with a bis-bidentate pyridylimine ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7736","7743","10.1039/d1dt00146a","","","1.54178","CuKα","","0.0632","0.0577","","","0.1553","0.1615","","","","","","1.061","","","","has coordinates,has disorder","267149","2021-07-05","17:30:47",""
"7707242","21.283","0.0005","13.9996","0.0003","24.4132","0.0008","90","","109.759","0.001","90","","6845.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C137 H124 Mn4 N24 O17 S8 -","- C137 H124 Mn4 N24 O17 S8 -","- C274 H248 Mn8 N48 O34 S16 -","2","0.25","","Chainok, Kittipong; Jittirattanakun, Siripak; Theppitak, Chatphorn; Jiajaroen, Suwadee; Puangsing, Praifon; Saphu, Watcharin; Kielar, Filip; Dungkaew, Winya; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol","Coordination-driven self-assembly of a series of dinuclear M<sub>2</sub>L<sub>2</sub> mesocates with a bis-bidentate pyridylimine ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7736","7743","10.1039/d1dt00146a","","","1.54178","CuKα","","0.0687","0.0655","","","0.1778","0.1809","","","","","","1.074","","","","has coordinates,has disorder","267149","2021-07-05","17:30:47",""
"7707243","21.1589","0.0005","13.959","0.0004","24.6924","0.0009","90","","109.821","0.001","90","","6861","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C137 H124 N24 O17 S8 Zn4 -","- C137 H124 N24 O17 S8 Zn4 -","- C274 H248 N48 O34 S16 Zn8 -","2","0.25","","Chainok, Kittipong; Jittirattanakun, Siripak; Theppitak, Chatphorn; Jiajaroen, Suwadee; Puangsing, Praifon; Saphu, Watcharin; Kielar, Filip; Dungkaew, Winya; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol","Coordination-driven self-assembly of a series of dinuclear M<sub>2</sub>L<sub>2</sub> mesocates with a bis-bidentate pyridylimine ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7736","7743","10.1039/d1dt00146a","","","1.54178","CuKα","","0.0637","0.0633","","","0.1952","0.1958","","","","","","1.073","","","","has coordinates,has disorder","267149","2021-07-05","17:30:47",""
"7707244","21.0043","0.0006","13.9622","0.0004","24.3765","0.0007","90","","109.668","0.001","90","","6731.7","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C137 H124 Fe4 N24 O17 S8 -","- C137 H124 Fe4 N24 O17 S8 -","- C274 H248 Fe8 N48 O34 S16 -","2","0.25","","Chainok, Kittipong; Jittirattanakun, Siripak; Theppitak, Chatphorn; Jiajaroen, Suwadee; Puangsing, Praifon; Saphu, Watcharin; Kielar, Filip; Dungkaew, Winya; Rungtaweevoranit, Bunyarat; Sukwattanasinitt, Mongkol","Coordination-driven self-assembly of a series of dinuclear M<sub>2</sub>L<sub>2</sub> mesocates with a bis-bidentate pyridylimine ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7736","7743","10.1039/d1dt00146a","","x-ray","1.54178","CuKα","K-L~3~","0.0694","0.0661","","","0.1769","0.1801","","","","","","1.032","","","","has coordinates,has disorder","267149","2021-07-05","17:30:47",""
"7707245","23.9161","0.0005","12.8024","0.0003","17.3043","0.0004","90","","130.542","0.002","90","","4026.3","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H36 B F20 N -","- C40 H36 B F20 N -","- C160 H144 B4 F80 N4 -","4","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0265","0.0247","","","0.061","0.0621","","","","","","1.036","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707246","15.42","0.0008","16.684","0.0005","15.1965","0.0008","90","","119.448","0.007","90","","3404.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H14 B F20 Fe O2 -","- C38 H14 B F20 Fe O2 -","- C152 H56 B4 F80 Fe4 O8 -","4","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0542","0.0355","","","0.0716","0.0786","","","","","","1.015","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707247","11.5342","0.0004","12.1297","0.0006","15.3574","0.0007","108.024","0.004","94.966","0.003","115.789","0.004","1777.23","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H14 B F20 Fe O -","- C41 H14 B F20 Fe O -","- C82 H28 B2 F40 Fe2 O2 -","2","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0382","0.0288","","","0.0617","0.0656","","","","","","1.03","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707248","7.7836","0.0004","8.12","0.0005","9.8619","0.0007","112.789","0.006","101.78","0.005","96.453","0.005","549.74","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 F6 Fe O2 Sb -","- C24 H18 F6 Fe O2 Sb -","- C24 H18 F6 Fe O2 Sb -","1","0.5","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.018","0.0176","","","0.0451","0.0453","","","","","","1.056","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707249","15.4399","0.0013","13.3339","0.0007","15.7029","0.001","90","","91.482","0.006","90","","3231.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H8 B Br2 F20 Fe -","- C34 H8 B Br2 F20 Fe -","- C136 H32 B4 Br8 F80 Fe4 -","4","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0958","0.0438","","","0.0661","0.0803","","","","","","1.011","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707250","8.5444","0.0003","12.5527","0.0005","16.3063","0.0006","73.244","0.003","88.652","0.003","73.301","0.004","1600.7","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H12 B F20 Fe O -","- C36 H12 B F20 Fe O -","- C72 H24 B2 F40 Fe2 O2 -","2","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0521","0.0341","","","0.0655","0.0718","","","","","","1.052","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707251","16.573","0.0004","19.8456","0.0005","24.3129","0.0005","90","","90.297","0.002","90","","7996.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 B F20 Fe -","- C44 H30 B F20 Fe -","- C352 H240 B8 F160 Fe8 -","8","2","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.075","0.0463","","","0.1044","0.1102","","","","","","0.973","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707252","10.9055","0.0006","16.9646","0.0004","19.0513","0.0015","90","","104.764","0.009","90","","3408.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H12 Ag B F20 N4 -","- C32 H12 Ag B F20 N4 -","- C128 H48 Ag4 B4 F80 N16 -","4","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0368","0.0278","","","0.0634","0.0676","","","","","","1.03","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707253","14.3172","0.0003","13.0057","0.0003","16.3446","0.0003","90","","90.457","0.002","90","","3043.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H9 B Br F20 Fe -","- C34 H9 B Br F20 Fe -","- C136 H36 B4 Br4 F80 Fe4 -","4","1","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0346","0.0256","","","0.0554","0.0586","","","","","","1.024","","","","has coordinates","266107","2021-06-05","19:02:05",""
"7707254","15.4902","0.0006","15.5939","0.0006","16.4411","0.0005","107.224","0.003","102.664","0.003","101.494","0.004","3549.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 B F20 Fe -","- C38 H18 B F20 Fe -","- C152 H72 B4 F80 Fe4 -","4","2","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0917","0.0458","","","0.0828","0.0979","","","","","","1.007","","","","has coordinates,has disorder","266107","2021-06-05","19:02:05",""
"7707255","20.9252","0.0004","29.1241","0.0004","31.8841","0.0004","90","","90","","90","","19431.1","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H14 B F20 Fe -","- C36 H14 B F20 Fe -","- C864 H336 B24 F480 Fe24 -","24","3","","Khan, Firoz Shah Tuglak; Waldbusser, Amy L.; Carrasco, Maria C.; Pourhadi, Hadi; Hematian, Shabnam","Synthetic, spectroscopic, structural, and electrochemical investigations of ferricenium derivatives with weakly coordinating anions: ion pairing, substituent, and solvent effects.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7433","7455","10.1039/d1dt01192h","","","0.71073","MoKα","","0.0707","0.0531","","","0.1248","0.1346","","","","","","1.113","","","","has coordinates,has disorder","266107","2021-06-05","19:02:05",""
"7707256","9.8921","0.0008","24.31","0.002","8.3864","0.0008","90","","90.344","0.002","90","","2016.7","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tetraethyl (2,3-dihydroxy-1,4-phenylene)bis(phosphonate)","","- C18 H26 O8 P2 -","- C18 H26 O8 P2 -","- C72 H104 O32 P8 -","4","1","","Delgado Rosario, Emalyn; Rectenwald, Michael F.; Gaffen, Joshua R.; Rheingold, Arnold L.; Protasiewicz, John D.","Organophosphorus decorated lithium borate and phosphate salts with extended π-conjugated backbone.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6667","6672","10.1039/d1dt00601k","","x-ray","0.71073","MoKα","","0.0462","0.0383","","","0.0958","0.102","","","","","","1.022","","","","has coordinates,has disorder","266020","2021-06-05","18:35:43",""
"7707257","9.3498","0.0018","19.335","0.003","23.9","0.004","73.891","0.005","83.711","0.004","78.62","0.004","4062.5","1.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","lithium octaethyl (2λ4-2,2'-spirobi[naphtho[2,3-d][1,3,2]dioxaborole]-4,4',9,9'-tetrayl)tetrakis(phosphonate)","","- C72 H96 B2 Li2 O32 P8 -","- C72 H96 B2 Li2 O32 P8 -","- C144 H192 B4 Li4 O64 P16 -","2","1","","Delgado Rosario, Emalyn; Rectenwald, Michael F.; Gaffen, Joshua R.; Rheingold, Arnold L.; Protasiewicz, John D.","Organophosphorus decorated lithium borate and phosphate salts with extended π-conjugated backbone.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6667","6672","10.1039/d1dt00601k","","x-ray","0.71073","MoKα","","0.1532","0.0665","","","0.1308","0.1597","","","","","","1.016","","","","has coordinates","266020","2021-06-05","18:35:43",""
"7707258","17.7902","0.0008","6.1119","0.0002","23.7144","0.001","90","","110.671","0.005","90","","2412.51","0.19","173","","173","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C18 H21 Ag N O13 S2 -","- C18 H21 Ag N O13 S2 -","- C72 H84 Ag4 N4 O52 S8 -","4","1","","Alba, Laurenzo D. V.; Hatanaka, Tsubasa; Franco, Francisco C.; Nojiri, Masaki; Noel, Marissa G.; Funahashi, Yasuhiro","Complex formation of silver(I) ions with a glucosinolate derivative: structural and mechanistic insights into myrosinase-mimicking C-S bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8292","8296","10.1039/d1dt00695a","","x-ray","0.71073","MoKα","","0.075","0.0445","","","0.0902","0.0978","","","","","","0.968","","","","has coordinates,has disorder","267143","2021-07-05","17:28:39",""
"7707259","9.0195","0.0002","12.3261","0.0004","12.5871","0.0003","101.321","0.002","110.969","0.002","97.225","0.002","1251.57","0.06","173","","173","","","","","","","","","6","P 1","P 1","1","","O-acetylsinigrin","","- C18 H24 K N O13 S2 -","- C18 H24 K N O13 S2 -","- C36 H48 K2 N2 O26 S4 -","2","2","","Alba, Laurenzo D. V.; Hatanaka, Tsubasa; Franco, Francisco C.; Nojiri, Masaki; Noel, Marissa G.; Funahashi, Yasuhiro","Complex formation of silver(I) ions with a glucosinolate derivative: structural and mechanistic insights into myrosinase-mimicking C-S bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8292","8296","10.1039/d1dt00695a","","x-ray","0.71073","MoKα","","0.0585","0.0441","","","0.0993","0.1049","","","","","","1.031","","","","has coordinates","267143","2021-07-05","17:28:39",""
"7707260","4.6528","0.0012","10.67","0.003","39.493","0.01","90","","93.086","0.004","90","","1957.8","0.9","297","2","297","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Au Cl F5 N O3 -","- C19 H16 Au Cl F5 N O3 -","- C76 H64 Au4 Cl4 F20 N4 O12 -","4","1","","Wang, Xiao-Yan; Yin, Ya; Yin, Jun; Chen, Zhao; Liu, Sheng Hua","Persistent room-temperature phosphorescence or high-contrast phosphorescent mechanochromism: polymorphism-dependent different emission characteristics from a single gold(I) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7744","7749","10.1039/d1dt00959a","","","0.71073","MoKα","","0.0952","0.0791","","","0.1954","0.2047","","","","","","1.098","","","","has coordinates","267156","2021-07-05","17:33:30",""
"7707261","4.7449","0.0007","10.8014","0.0016","39.937","0.006","90","","93.174","0.002","90","","2043.7","0.5","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Au Cl F5 N O3 -","- C19 H16 Au Cl F5 N O3 -","- C76 H64 Au4 Cl4 F20 N4 O12 -","4","1","","Wang, Xiao-Yan; Yin, Ya; Yin, Jun; Chen, Zhao; Liu, Sheng Hua","Persistent room-temperature phosphorescence or high-contrast phosphorescent mechanochromism: polymorphism-dependent different emission characteristics from a single gold(I) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7744","7749","10.1039/d1dt00959a","","","0.71073","MoKα","","0.0525","0.0465","","","0.094","0.0967","","","","","","1.0568","","","","has coordinates","267156","2021-07-05","17:33:30",""
"7707262","10.9196","0.0019","11.281","0.002","13.7","0.002","86.986","0.004","70.722","0.004","80.97","0.004","1573.2","0.5","213","2","213.15","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H22 Cu2 I10 O Pb2 S20 -","- C30 H22 Cu2 I10 O Pb2 S20 -","- C30 H22 Cu2 I10 O Pb2 S20 -","1","0.5","","Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8120","8126","10.1039/d1dt00631b","","","0.71073","MoKα","","0.0628","0.0466","","","0.1222","0.134","","","","","","1.048","","","","has coordinates","267189","2021-07-05","17:42:52",""
"7707263","15.931","0.004","13.531","0.003","13.491","0.003","90","","90","","90","","2908.2","1.2","213","2","213","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C12 H8 Cu2 I6 Pb S8 -","- C12 H8 Cu2 I6 Pb S8 -","- C48 H32 Cu8 I24 Pb4 S32 -","4","0.25","","Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8120","8126","10.1039/d1dt00631b","","","0.71073","MoKα","","0.0761","0.0479","","","0.1237","0.1399","","","","","","1.027","","","","has coordinates","267189","2021-07-05","17:42:53",""
"7707264","16.135","0.003","13.7","0.002","13.745","0.003","90","","90","","90","","3038.3","1","213","2","213","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Ag8 I12 S16 -","- C24 H16 Ag8 I12 S16 -","- C48 H32 Ag16 I24 S32 -","2","0.25","","Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8120","8126","10.1039/d1dt00631b","","","0.71073","MoKα","","0.0751","0.0408","","","0.0906","0.1042","","","","","","1.007","","","","has coordinates","267189","2021-07-05","17:42:53",""
"7707265","13.4453","0.0016","15.8728","0.0019","13.4449","0.0016","90","","90","","90","","2869.3","0.6","213","2","213","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C12 H8 Cu4 I6 O S8 -","- C12 H8 Cu4 I6 O S8 -","- C48 H32 Cu16 I24 O4 S32 -","4","0.5","","Yin, Wen-Yu; Weng, Yi-Gang; Ren, Zhou-Hong; Zhang, Zhi-Ruo; Zhu, Qin-Yu; Dai, Jie","Tetrathiafulvalene-based double metal lead iodides: structures and electrical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8120","8126","10.1039/d1dt00631b","","","0.71073","MoKα","","0.0473","0.0353","","","0.0901","0.0988","","","","","","1.019","","","","has coordinates","267189","2021-07-05","17:42:53",""
"7707266","34.2443","0.0004","34.2443","0.0004","13.7584","0.0002","90","","90","","120","","13972.5","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- Cu1.33 Nb3 O62.33 P2 W15 -","- Cu1.33333 Nb3 O71.3333 P2 W15 -","- Cu8 Nb18 O428 P12 W90 -","6","1","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.0998","0.0805","","","0.2105","0.2266","","","","","","1.061","","","","has coordinates","267172","2021-07-05","17:37:42",""
"7707267","33.8321","0.0005","33.8321","0.0005","13.5769","0.0003","90","","90","","120","","13458.3","0.4","170","0.1","170","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C9 H0.5 Co4 Nb9 O219.5 P6 W45 -","- Co4 Nb9 O194 P6 W45 -","- Co8 Nb18 O388 P12 W90 -","2","0.333333","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.0848","0.0647","","","0.1729","0.1877","","","","","","1.023","","","","has coordinates","267172","2021-07-05","17:37:42",""
"7707268","34.2369","0.0004","34.2369","0.0004","13.7551","0.0002","90","","90","","120","","13963.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P -3","-P 3","147","","","","- Nb9 O212 P6 W45 Zn4 -","- Nb9 O212 P6 W45 Zn4 -","- Nb18 O424 P12 W90 Zn8 -","2","0.333333","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.1023","0.0877","","","0.2131","0.2235","","","","","","1.045","","","","has coordinates,has disorder","267172","2021-07-05","17:37:42",""
"7707269","34.575","0.0003","34.575","0.0003","13.6491","0.0002","90","","90","","120","","14130.5","0.3","150","0.1","150","0.1","","","","","","","","7","P -3","-P 3","147","","","","- C6 H6 Mn4 Nb9 O209 P6 W45 -","- C6 H6 Mn4 Nb9 O209 P6 W45 -","- C12 H12 Mn8 Nb18 O418 P12 W90 -","2","0.333333","","Xiao, Wanru; Li, Shujun; Zhao, Yue; Ma, Yubin; Li, Na; Zhang, Jie; Chen, Xuenian","Multinuclear transition metal-containing polyoxometalates constructed from Nb/W mixed-addendum precursors: synthesis, structures and catalytic performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8690","8695","10.1039/d1dt00924a","","x-ray","1.54184","CuKα","","0.1223","0.0899","","","0.2073","0.2226","","","","","","1.062","","","","has coordinates","267172","2021-07-05","17:37:42",""
"7707270","22.909","0.01","14.148","0.006","12.037","0.005","90","","101.433","0.006","90","","3824","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H42 Cl2 N6 Ni2 O17 -","- C25 H42 Cl2 N6 Ni2 O17 -","- C100 H168 Cl8 N24 Ni8 O68 -","4","0.5","","Ajaykamal, Tamilarasan; Sharma, Mitu; Islam, Nasreen S.; Palaniandavar, Mallayan","Rapid atmospheric carbon dioxide fixation by nickel(II) complexes: meridionally coordinated diazepane-based 3N ligands facilitate fixation.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8045","8056","10.1039/d1dt00299f","","","0.71073","MoKα","","0.1049","0.0629","","","0.171","0.2037","","","","","","1.022","","","","has coordinates","267198","2021-07-05","17:44:51",""
"7707271","14.056","0.002","16.625","0.003","15.563","0.002","90","","90","","90","","3636.8","1","293","","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C36 H45 N3 P2 Si2 -","- C36 H45 N3 P2 Si2 -","- C144 H180 N12 P8 Si8 -","4","0.5","","Jha, Vikesh Kumar; Das, Sanghamitra; Subramaniyan, Vasudevan; Guchhait, Tapas; Dakua, Kishan Kumar; Mishra, Sabyashachi; Mani, Ganesan","Synthesis, structural characterization, and bonding analysis of two-coordinate copper(I) and silver(I) complexes of pyrrole-based bis(phosphinimine): new metal-pyrrole ring π-interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8036","8044","10.1039/d1dt01091c","","","0.71073","MoKα","","0.031","0.0281","","","0.0717","0.0739","","","","","","1.081","","","","has coordinates","267200","2021-07-05","17:45:17",""
"7707272","12.3861","0.001","12.8347","0.0011","13.843","0.0012","63.551","0.002","76.619","0.002","83.611","0.002","1916.7","0.3","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H45 Cl2 Cu2 N3 P2 Si2 -","- C36 H45 Cl2 Cu2 N3 P2 Si2 -","- C72 H90 Cl4 Cu4 N6 P4 Si4 -","2","1","","Jha, Vikesh Kumar; Das, Sanghamitra; Subramaniyan, Vasudevan; Guchhait, Tapas; Dakua, Kishan Kumar; Mishra, Sabyashachi; Mani, Ganesan","Synthesis, structural characterization, and bonding analysis of two-coordinate copper(I) and silver(I) complexes of pyrrole-based bis(phosphinimine): new metal-pyrrole ring π-interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8036","8044","10.1039/d1dt01091c","","","0.71073","MoKα","","0.0516","0.0423","","","0.1114","0.1175","","","","","","1.037","","","","has coordinates,has disorder","267200","2021-07-05","17:45:17",""
"7707273","10.9555","0.0007","14.0616","0.0009","15.4846","0.001","104.836","0.002","101.804","0.002","92.257","0.002","2246.5","0.3","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C41 H53 Ag F3 N3 O4 P2 S Si2 -","- C41 H53 Ag F3 N3 O4 P2 S Si2 -","- C82 H106 Ag2 F6 N6 O8 P4 S2 Si4 -","2","1","","Jha, Vikesh Kumar; Das, Sanghamitra; Subramaniyan, Vasudevan; Guchhait, Tapas; Dakua, Kishan Kumar; Mishra, Sabyashachi; Mani, Ganesan","Synthesis, structural characterization, and bonding analysis of two-coordinate copper(I) and silver(I) complexes of pyrrole-based bis(phosphinimine): new metal-pyrrole ring π-interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8036","8044","10.1039/d1dt01091c","","","0.71073","MoKα","","0.0805","0.0507","","","0.106","0.1177","","","","","","1.031","","","","has coordinates","267200","2021-07-05","17:45:17",""
"7707274","10.9222","0.0013","13.9473","0.0017","15.3874","0.0018","104.166","0.004","105.854","0.003","94.077","0.004","2162.3","0.5","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C40 H53 Ag B F4 N3 O P2 Si2 -","- C40 H53 Ag B F4 N3 O P2 Si2 -","- C80 H106 Ag2 B2 F8 N6 O2 P4 Si4 -","2","1","","Jha, Vikesh Kumar; Das, Sanghamitra; Subramaniyan, Vasudevan; Guchhait, Tapas; Dakua, Kishan Kumar; Mishra, Sabyashachi; Mani, Ganesan","Synthesis, structural characterization, and bonding analysis of two-coordinate copper(I) and silver(I) complexes of pyrrole-based bis(phosphinimine): new metal-pyrrole ring π-interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8036","8044","10.1039/d1dt01091c","","","0.71073","MoKα","","0.0598","0.0414","","","0.0836","0.092","","","","","","1.054","","","","has coordinates","267200","2021-07-05","17:45:17",""
"7707275","15","","15.36","","9.98","","90","","90","","90","","2299.39","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O7 Zn -","- C21 H25 N3 O7 Zn -","- C84 H100 N12 O28 Zn4 -","4","1","","Rodríguez-Cid, Laura; Qian, Wenjie; Iribarra-Araya, Joseline; Etcheverry-Berríos, Álvaro; Martínez-Olmos, Eulalia; Choquesillo-Lazarte, Duane; Sañudo, Eva Carolina; Roubeau, Olivier; López-Periago, Ana María; González-Campo, Arántzazu; Planas, José G; Soler, Mònica; Domingo, Concepción; Aliaga-Alcalde, Núria","Broadening the scope of high structural dimensionality nanomaterials using pyridine-based curcuminoids.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7056","7064","10.1039/d1dt00708d","","","0.72929","Synchrotron","","0.029","0.0289","","","0.0745","0.0746","","","","","","1.146","","","","has coordinates","266040","2021-06-05","18:41:11",""
"7707276","17.531","0.008","10.383","0.005","7.561","0.004","90","","102.08","0.006","90","","1345.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Rodríguez-Cid, Laura; Qian, Wenjie; Iribarra-Araya, Joseline; Etcheverry-Berríos, Álvaro; Martínez-Olmos, Eulalia; Choquesillo-Lazarte, Duane; Sañudo, Eva Carolina; Roubeau, Olivier; López-Periago, Ana María; González-Campo, Arántzazu; Planas, José G; Soler, Mònica; Domingo, Concepción; Aliaga-Alcalde, Núria","Broadening the scope of high structural dimensionality nanomaterials using pyridine-based curcuminoids.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7056","7064","10.1039/d1dt00708d","","","0.7749","synchrotron","","0.061","0.0448","","","0.1165","0.126","","","","","","1.045","","","","has coordinates","266040","2021-06-05","18:41:11",""
"7707277","14.5539","0.0012","20.3868","0.0018","9.5213","0.0008","90","","91.462","0.003","90","","2824.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N2 O2 Zn0.5 -","- C17 H13 N2 O2 Zn0.5 -","- C136 H104 N16 O16 Zn4 -","8","1","","Rodríguez-Cid, Laura; Qian, Wenjie; Iribarra-Araya, Joseline; Etcheverry-Berríos, Álvaro; Martínez-Olmos, Eulalia; Choquesillo-Lazarte, Duane; Sañudo, Eva Carolina; Roubeau, Olivier; López-Periago, Ana María; González-Campo, Arántzazu; Planas, José G; Soler, Mònica; Domingo, Concepción; Aliaga-Alcalde, Núria","Broadening the scope of high structural dimensionality nanomaterials using pyridine-based curcuminoids.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7056","7064","10.1039/d1dt00708d","","x-ray","0.82654","synchrotron","","0.0858","0.081","","","0.1828","0.1859","","","","","","1.185","","","","has coordinates","266040","2021-06-05","18:41:11",""
"7707278","9.0611","0.0003","14.0313","0.0004","28.1117","0.0008","90","","95.09","0.001","90","","3560","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N6 O10 Zn2 -","- C34 H26 N6 O10 Zn2 -","- C136 H104 N24 O40 Zn8 -","4","1","","Rodríguez-Cid, Laura; Qian, Wenjie; Iribarra-Araya, Joseline; Etcheverry-Berríos, Álvaro; Martínez-Olmos, Eulalia; Choquesillo-Lazarte, Duane; Sañudo, Eva Carolina; Roubeau, Olivier; López-Periago, Ana María; González-Campo, Arántzazu; Planas, José G; Soler, Mònica; Domingo, Concepción; Aliaga-Alcalde, Núria","Broadening the scope of high structural dimensionality nanomaterials using pyridine-based curcuminoids.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7056","7064","10.1039/d1dt00708d","","","0.71073","MoKα","","0.079","0.0554","","","0.1415","0.1586","","","","","","1.07","","","","has coordinates,has disorder","266040","2021-06-05","18:41:11",""
"7707279","8.6","0.001","11.005","0.002","18.286","0.002","90","","103.4","0.02","90","","1683.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Au2 Cl2 N2 P2 -","- C36 H28 Au2 Cl2 N2 P2 -","- C72 H56 Au4 Cl4 N4 P4 -","2","0.5","","Cazorla, Clément; Casimiro, Lorenzo; Arif, Tanzeel; Deo, Claire; Goual, Nawel; Retailleau, Pascal; Métivier, Rémi; Xie, Juan; Voituriez, Arnaud; Marinetti, Angela; Bogliotti, Nicolas","Synthesis and properties of photoswitchable diphosphines and gold(I) complexes derived from azobenzenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7284","7292","10.1039/d1dt01080h","","","0.71073","MoKα","","0.0903","0.0433","","","0.0921","0.1108","","","","","","1.022","","","","has coordinates","266103","2021-06-05","19:00:41",""
"7707280","9.866","0.001","16.484","0.002","10.436","0.002","90","","94.944","0.003","90","","1690.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Au2 Cl2 N2 P2 -","- C36 H28 Au2 Cl2 N2 P2 -","- C72 H56 Au4 Cl4 N4 P4 -","2","0.5","","Cazorla, Clément; Casimiro, Lorenzo; Arif, Tanzeel; Deo, Claire; Goual, Nawel; Retailleau, Pascal; Métivier, Rémi; Xie, Juan; Voituriez, Arnaud; Marinetti, Angela; Bogliotti, Nicolas","Synthesis and properties of photoswitchable diphosphines and gold(I) complexes derived from azobenzenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7284","7292","10.1039/d1dt01080h","","","0.71073","MoKα","","0.0582","0.0282","","","0.0648","0.0757","","","","","","1.001","","","","has coordinates","266103","2021-06-05","19:00:42",""
"7707281","12.814","0.005","18.93","0.008","15.716","0.006","90","","95.057","0.009","90","","3797","3","296","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H104 B2 Fe6 N16 S10 W2 -","- C54 H104 B2 Fe6 N16 S10 W2 -","- C108 H208 B4 Fe12 N32 S20 W4 -","2","0.5","","Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong","Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6840","6847","10.1039/d1dt00414j","","","0.71073","MoKα","","0.0524","0.0462","","","0.1213","0.1259","","","","","","0.962","","","","has coordinates","266032","2021-06-05","18:38:37",""
"7707282","27.096","0.004","19.118","0.003","20.286","0.003","90","","98.477","0.002","90","","10394","3","296","2","296.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 B2 Fe6 N16 S10 W2 -","- C70 H104 B2 Fe6 N16 S10 W2 -","- C280 H416 B8 Fe24 N64 S40 W8 -","4","0.5","","Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong","Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6840","6847","10.1039/d1dt00414j","","","0.71073","MoKα","","0.0575","0.0365","","","0.0927","0.1027","","","","","","1.007","","","","has coordinates,has disorder","266032","2021-06-05","18:38:37",""
"7707283","24.0221","0.0008","18.0186","0.0006","23.9879","0.0007","90","","90","","90","","10383","0.6","273.15","","273.15","","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C74 H149 B2 Fe6 N24 O12 S6 W2 -","- C74 H149 B2 Fe6 N24 O12 S6 W2 -","- C296 H596 B8 Fe24 N96 O48 S24 W8 -","4","0.25","","Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong","Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6840","6847","10.1039/d1dt00414j","","","0.71073","MoKα","","0.0465","0.0442","","","0.1235","0.1261","","","","","","1.083","","","","has coordinates,has disorder","266032","2021-06-05","18:38:37",""
"7707284","10.9698","0.0017","11.9853","0.0018","15.905","0.002","72.82","0.002","83.033","0.002","81.869","0.002","1970.7","0.5","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H98 B2 Fe6 N30 O2 S6 W2 -","- C52 H98 B2 Fe6 N30 O2 S6 W2 -","- C52 H98 B2 Fe6 N30 O2 S6 W2 -","1","0.5","","Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong","Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6840","6847","10.1039/d1dt00414j","","","0.71073","MoKα","","0.0527","0.0364","","","0.0785","0.0855","","","","","","1.03","","","","has coordinates","266032","2021-06-05","18:38:37",""
"7707285","14.222","0.003","25.989","0.005","28.267","0.005","76.25","0.002","89.471","0.002","88.082","0.002","10143","3","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C77 H119 B2 Fe6 N17 O S10 W2 -","- C77 H119 B2 Fe6 N17 O S10 W2 -","- C308 H476 B8 Fe24 N68 O4 S40 W8 -","4","2","","Xue, Lian; Xu, Gan; Wang, Zheng; Chen, Xu-Dong","Nitride-incorporated W-Fe-S double cubane clusters: terminal ligand substitutions and redox behaviors.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6840","6847","10.1039/d1dt00414j","","","0.71073","MoKα","","0.0777","0.044","","","0.0926","0.1072","","","","","","1.019","","","","has coordinates,has disorder","266032","2021-06-05","18:38:37",""
"7707286","5.1549","0.001","6.9133","0.0014","11.867","0.002","74.96","0.03","80.75","0.03","88.14","0.03","403.09","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H9 Cl2 N5 -","- C3 H9 Cl2 N5 -","- C6 H18 Cl4 N10 -","2","1","","Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo","Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7456","7463","10.1039/d1dt00527h","","","0.71073","MoKα","","0.0371","0.0344","","","0.0841","0.0874","","","","","","1.105","","","","has coordinates","266104","2021-06-05","19:01:05",""
"7707287","6.6631","0.0013","9.3281","0.0019","14.077","0.003","90","","93.39","0.03","90","","873.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N7 O6 -","- C3 H9 N7 O6 -","- C12 H36 N28 O24 -","4","1","","Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo","Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7456","7463","10.1039/d1dt00527h","","","0.71073","MoKα","","0.0573","0.0544","","","0.1338","0.1355","","","","","","1.161","","","","has coordinates,has disorder","266104","2021-06-05","19:01:05",""
"7707288","9.5665","0.0019","6.7226","0.0013","50.601","0.01","90","","90","","90","","3254.2","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H15 N17 O6 -","- C5 H15 N17 O6 -","- C40 H120 N136 O48 -","8","1","","Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo","Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7456","7463","10.1039/d1dt00527h","","","0.71073","MoKα","","0.1103","0.0924","","","0.1753","0.1848","","","","","","1.212","","","","has coordinates","266104","2021-06-05","19:01:05",""
"7707289","9.4079","0.0019","10.355","0.002","13.922","0.003","100.85","0.03","90.26","0.03","92.14","0.03","1331","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N11 O21 -","- C15 H23 N11 O21 -","- C30 H46 N22 O42 -","2","1","","Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo","Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7456","7463","10.1039/d1dt00527h","","","0.71073","MoKα","","0.0599","0.053","","","0.1205","0.1257","","","","","","1.096","","","","has coordinates","266104","2021-06-05","19:01:05",""
"7707290","7.8469","0.0016","12.05","0.002","12.748","0.003","73","0.03","83.11","0.03","76.27","0.03","1118.1","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N11 O15 -","- C15 H15 N11 O15 -","- C30 H30 N22 O30 -","2","1","","Yang, Zhen-Li; Wu, Yue-Mei; He, Piao; Cao, Wen-Li; Manzoor, Saira; Zhang, Jian-Guo","Synthesis and characterization of promising insensitive energetic salts based on 3-amino-5-hydrazinopyrazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7456","7463","10.1039/d1dt00527h","","","0.71073","MoKα","","0.0516","0.0477","","","0.1104","0.1131","","","","","","1.117","","","","has coordinates","266104","2021-06-05","19:01:05",""
"7707291","7.0672","0.0007","7.7987","0.0007","20.999","0.002","88.464","0.002","84.971","0.002","71.78","0.002","1095.1","0.18","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","Ru-sac","","- C16 H20 N2 O10 Ru S3 -","- C16 H20 N2 O10 Ru S3 -","- C32 H40 N4 O20 Ru2 S6 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Pakira, Sandip; Sivakumar, Sri; Patra, Ashis K.","Kinetically labile ruthenium(II) complexes of terpyridines and saccharin: effect of substituents on photoactivity, solvation kinetics, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8196","8217","10.1039/d1dt00246e","","","0.71073","MoKα","","0.0858","0.0592","","","0.12","0.1283","","","","","","1.131","","","","has coordinates","267191","2021-07-05","17:43:21",""
"7707292","11.5927","0.0018","13.445","0.002","13.715","0.002","78.814","0.003","67.894","0.003","68.326","0.003","1836.7","0.5","100","","100","2","","","","","","","","6","P -1","-P 1","2","","Ru-ttpy-sac","","- C33 H23 N5 O7 Ru S3 -","- C33 H23 N5 O7 Ru S3 -","- C66 H46 N10 O14 Ru2 S6 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Pakira, Sandip; Sivakumar, Sri; Patra, Ashis K.","Kinetically labile ruthenium(II) complexes of terpyridines and saccharin: effect of substituents on photoactivity, solvation kinetics, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8196","8217","10.1039/d1dt00246e","","x-ray","0.71073","MoKα","","0.1701","0.0897","","","0.1762","0.2069","","","","","","0.98","","","","has coordinates","267191","2021-07-05","17:43:21",""
"7707293","12.0014","0.0006","12.1514","0.0006","12.9911","0.0007","76.775","0.002","86.439","0.002","74.913","0.001","1780.72","0.16","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","Ru-ftpy-sac","","- C35 H24 N6 O7 Ru S2 -","- C35 H24 N6 O7 Ru S2 -","- C70 H48 N12 O14 Ru2 S4 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Pakira, Sandip; Sivakumar, Sri; Patra, Ashis K.","Kinetically labile ruthenium(II) complexes of terpyridines and saccharin: effect of substituents on photoactivity, solvation kinetics, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8196","8217","10.1039/d1dt00246e","","","0.71073","MoKα","","0.0657","0.0456","","","0.1069","0.1143","","","","","","1.018","","","","has coordinates","267191","2021-07-05","17:43:21",""
"7707294","11.0081","0.0007","13.9727","0.0009","14.7973","0.001","70.839","0.002","75.28","0.002","82.782","0.002","2077.1","0.2","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","Ru-2pytpy-sac","","- C34 H24 N6 O7 Ru S2 -","- C34 H24 N6 O7 Ru S2 -","- C68 H48 N12 O14 Ru2 S4 -","2","1","","Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Pakira, Sandip; Sivakumar, Sri; Patra, Ashis K.","Kinetically labile ruthenium(II) complexes of terpyridines and saccharin: effect of substituents on photoactivity, solvation kinetics, and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8196","8217","10.1039/d1dt00246e","","","0.71073","MoKα","","0.1059","0.0623","","","0.1343","0.1492","","","","","","0.981","","","","has coordinates","267191","2021-07-05","17:43:21",""
"7707295","14.0533","0.0006","13.0296","0.0009","18.3019","0.0012","90","","99.056","0.005","90","","3309.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 B Br2 N2 -","- C36 H39 B Br2 N2 -","- C144 H156 B4 Br8 N8 -","4","1","","Liu, Rui; Gao, Fangfang; Liu, Jingjing; Wei, Jing; Hou, Lei; Xie, Gang; Chen, Sanping; Zeng, Fanlong; Li, Anyang; Wang, Wenyuan","Anionic oxoborane and thioxoborane molecules supported by a 1,2-bis(imino)acenaphthene ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6797","6801","10.1039/d1dt01060c","","","0.71073","MoKα","","0.1955","0.0923","","","0.2072","0.2646","","","","","","1.034","","","","has coordinates","266036","2021-06-05","18:39:26",""
"7707296","12.7222","0.0008","19.6535","0.0012","17.2812","0.001","90","","96.436","0.002","90","","4293.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H61 B N4 S -","- C47 H61 B N4 S -","- C188 H244 B4 N16 S4 -","4","1","","Liu, Rui; Gao, Fangfang; Liu, Jingjing; Wei, Jing; Hou, Lei; Xie, Gang; Chen, Sanping; Zeng, Fanlong; Li, Anyang; Wang, Wenyuan","Anionic oxoborane and thioxoborane molecules supported by a 1,2-bis(imino)acenaphthene ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6797","6801","10.1039/d1dt01060c","","","0.71073","MoKα","","0.0545","0.0425","","","0.1077","0.1163","","","","","","1.024","","","","has coordinates","266036","2021-06-05","18:39:26",""
"7707297","19.0151","0.0012","19.0592","0.0013","24.02","0.0016","82.716","0.003","68.186","0.003","60.437","0.003","7012.4","0.8","153","2","153.15","","","","","","","","","5","P -1","-P 1","2","","","","- C155 H199 B3 N12 O3 -","- C155 H199 B3 N12 O3 -","- C310 H398 B6 N24 O6 -","2","1","","Liu, Rui; Gao, Fangfang; Liu, Jingjing; Wei, Jing; Hou, Lei; Xie, Gang; Chen, Sanping; Zeng, Fanlong; Li, Anyang; Wang, Wenyuan","Anionic oxoborane and thioxoborane molecules supported by a 1,2-bis(imino)acenaphthene ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6797","6801","10.1039/d1dt01060c","","","1.54178","CuKα","","0.0831","0.0689","","","0.1942","0.2073","","","","","","1.093","","","","has coordinates,has disorder","266036","2021-06-05","18:39:26",""
"7707298","10.9861","0.0006","25.9752","0.0014","15.2738","0.001","90","","99.548","0.006","90","","4298.2","0.4","173","0.3","173","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H57 Al Cr N2 O6 -","- C45 H57 Al Cr N2 O6 -","- C180 H228 Al4 Cr4 N8 O24 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","1.54184","CuKα","","0.1719","0.0838","","","0.1977","0.2867","","","","","","0.929","","","","has coordinates","267153","2021-07-05","17:32:58",""
"7707299","8.8624","0.00019","20.6632","0.0003","18.268","0.0003","90","","94.2925","0.0017","90","","3335.95","0.1","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Al Mn N2 O2 -","- C37 H48 Al Mn N2 O2 -","- C148 H192 Al4 Mn4 N8 O8 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","1.54184","CuKα","","0.0549","0.0413","","","0.1033","0.1124","","","","","","1.02","","","","has coordinates","267153","2021-07-05","17:32:58",""
"7707300","13.1004","0.0002","24.5243","0.0003","12.29286","0.00017","90","","111.852","0.0019","90","","3665.65","0.1","173","0.14","173","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H104 Al2 Co2 N4 O2 -","- C82 H104 Al2 Co2 N4 O2 -","- C164 H208 Al4 Co4 N8 O4 -","2","0.5","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","1.54184","CuKα","","0.0583","0.0428","","","0.0995","0.1076","","","","","","1.031","","","","has coordinates,has disorder","267153","2021-07-05","17:32:58",""
"7707301","11.1165","0.0004","12.5995","0.0005","19.3405","0.0008","88.586","0.003","88.722","0.003","67.821","0.004","2507.43","0.18","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Al0.5 Cu0.5 F3 N2 -","- C26 H32 Al0.5 Cu0.5 F3 N2 -","- C104 H128 Al2 Cu2 F12 N8 -","4","2","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","0.71073","MoKα","","0.0602","0.0412","","","0.0978","0.1149","","","","","","1.082","","","","has coordinates","267153","2021-07-05","17:32:58",""
"7707302","21.9278","0.0009","16.6105","0.0008","10.6008","0.0006","90","","90","","90","","3861.1","0.3","173","0.14","173","0.14","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H49 Al Fe N2 O4 -","- C40 H48.844 Al Fe N2 O4 -","- C160 H195.376 Al4 Fe4 N8 O16 -","4","0.5","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","0.71073","MoKα","","0.075","0.045","","","0.1097","0.131","","","","","","1.091","","","","has coordinates,has disorder","267153","2021-07-05","17:32:58",""
"7707303","14.0053","0.0004","16.6674","0.0005","23.4517","0.001","90","","102.825","0.004","90","","5337.8","0.3","173.05","0.1","173.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H82 Al Fe N2 O3 P -","- C57 H82 Al Fe N2 O3 P -","- C228 H328 Al4 Fe4 N8 O12 P4 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","0.71073","MoKα","","0.0923","0.0598","","","0.1425","0.1649","","","","","","1.036","","","","has coordinates,has disorder","267153","2021-07-05","17:32:58",""
"7707304","12.1523","0.0002","27.1205","0.0006","17.9897","0.0004","90","","97.1641","0.0019","90","","5882.7","0.2","173","0.3","173","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H82 Al Cu N4 O4 -","- C64 H82 Al Cu N4 O4 -","- C256 H328 Al4 Cu4 N16 O16 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","1.54184","CuKα","","0.1019","0.0573","","","0.11","0.1284","","","","","","1.045","","","","has coordinates,has disorder","267153","2021-07-05","17:32:58",""
"7707305","11.11938","0.00013","20.2656","0.0002","20.5958","0.0002","90","","96.1813","0.001","90","","4614.09","0.08","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Al Cl4 Cu N4 -","- C46 H54 Al Cl4 Cu N4 -","- C184 H216 Al4 Cl16 Cu4 N16 -","4","1","","Kong, Richard Y.; Crimmin, Mark R.","1<sup>st</sup> row transition metal aluminylene complexes: preparation, properties and bonding analysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7810","7817","10.1039/d1dt01415c","","x-ray","1.54184","CuKα","","0.0672","0.0443","","","0.1041","0.1177","","","","","","1.014","","","","has coordinates","267153","2021-07-05","17:32:58",""
"7707306","13.393","0.004","11.321","0.004","19.152","0.005","90","","110.223","0.009","90","","2724.9","1.5","120","2","120","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C54 H48 Ag Au2 F6 N8 O2 P3 -","- C54 H48 Ag Au2 F6 N8 O2 P3 -","- C108 H96 Ag2 Au4 F12 N16 O4 P6 -","2","0.5","","Tao, Yanhui; Wang, Yuwei; Hu, Shengnan; Young, David James; Lu, Chengrong; Li, Hong-Xi; Ren, Zhi-Gang","A photoluminescent Au(I)/Ag(I)/PNN coordination complex for relatively rapid and reversible alcohol sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6773","6777","10.1039/d1dt00931a","","","0.71073","MoKα","","0.033","0.0305","","","0.0832","0.0846","","","","","","1.073","","","","has coordinates","266034","2021-06-05","18:38:56",""
"7707307","13.47","0.0007","11.4324","0.0006","19.0084","0.0011","90","","109.031","0.0015","90","","2767.2","0.3","120","2","120","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C56 H52 Ag Au2 F6 N8 O2 P3 -","- C56 H52 Ag Au2 F6 N8 O2 P3 -","- C112 H104 Ag2 Au4 F12 N16 O4 P6 -","2","0.5","","Tao, Yanhui; Wang, Yuwei; Hu, Shengnan; Young, David James; Lu, Chengrong; Li, Hong-Xi; Ren, Zhi-Gang","A photoluminescent Au(I)/Ag(I)/PNN coordination complex for relatively rapid and reversible alcohol sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6773","6777","10.1039/d1dt00931a","","","0.71073","MoKα","","0.0251","0.0243","","","0.063","0.0634","","","","","","1.058","","","","has coordinates,has disorder","266034","2021-06-05","18:38:57",""
"7707308","19.6801","0.0016","16.442","0.0014","18.6092","0.0014","90","","104.979","0.003","90","","5817","0.8","115","2","115","2","","","","","","","synthesis","7","P 1 21/c 1","-P 2ybc","14","","","","- C51.29 H47.58 Br2 Cl4.63 Fe4 N15 O -","- C51.293 H47.576 Br2 Cl4.626 Fe4 N15 O0.995 -","- C205.172 H190.304 Br8 Cl18.504 Fe16 N60 O3.98 -","4","1","","Nicolini, Alessio; Affronte, Marco; SantaLucia, Daniel J.; Borsari, Marco; Cahier, Benjamin; Caleffi, Matteo; Ranieri, Antonio; Berry, John F.; Cornia, Andrea","Tetrairon(II) extended metal atom chains as single-molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7571","7589","10.1039/d1dt01007g","","","0.71073","MoKα","","0.0664","0.0606","","","0.1489","0.152","","","","","","1.214","","","","has coordinates,has disorder","267165","2021-07-05","17:35:06",""
"7707309","9.086","0.0002","9.1382","0.0002","13.8154","0.0003","100.565","0.002","99.858","0.002","114.86","0.002","982.71","0.04","293","2","293","2","","","","","","","Synthesize","6","P -1","-P 1","2","","","","- C21 H18 Cu F N3 O4 -","- C21 H18 Cu F N3 O4 -","- C42 H36 Cu2 F2 N6 O8 -","2","1","","., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram","Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections","Dalton Transactions","2021","","","","","10.1039/D1DT00199J","","x-ray","0.71073","MoKα","","0.0399","0.0323","","","0.0786","0.082","","","","","","1.043","","","","has coordinates","264826","2021-05-04","01:50:14",""
"7707310","9.1761","0.0003","9.2338","0.0003","14.1378","0.0004","99.591","0.002","98.741","0.002","115.625","0.003","1030.62","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl Cu N3 O4 -","- C21 H18 Cl Cu N3 O4 -","- C42 H36 Cl2 Cu2 N6 O8 -","2","1","","., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram","Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections","Dalton Transactions","2021","","","","","10.1039/D1DT00199J","","x-ray","0.71073","MoKα","","0.0418","0.0359","","","0.0927","0.0981","","","","","","1.034","","","","has coordinates","264826","2021-05-04","01:50:15",""
"7707311","9.1448","0.0007","9.1465","0.0007","13.5672","0.0011","100.002","0.007","100.45","0.007","115.079","0.008","969.95","0.16","293","2","293","2","","","","","","","Synthesize","5","P -1","-P 1","2","","","","- C21 H19 Cu N3 O4 -","- C21 H19 Cu N3 O4 -","- C42 H38 Cu2 N6 O8 -","2","1","","., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram","Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections","Dalton Transactions","2021","","","","","10.1039/D1DT00199J","","x-ray","0.71073","MoKα","","0.0646","0.0489","","","0.1361","0.1485","","","","","","1.02","","","","has coordinates","264826","2021-05-04","01:50:15",""
"7707312","8.9881","0.0003","9.2451","0.0004","16.5516","0.0007","74.599","0.004","86.394","0.003","64.904","0.004","1198.86","0.1","293","2","293","2","","","","","","","Synthesize","6","P -1","-P 1","2","","","","- C23 H21 Cu I N4 O4 -","- C23 H21 Cu I N4 O4 -","- C46 H42 Cu2 I2 N8 O8 -","2","1","","., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram","Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections","Dalton Transactions","2021","","","","","10.1039/D1DT00199J","","x-ray","0.71073","MoKα","","0.1091","0.067","","","0.1739","0.1947","","","","","","1.077","","","","has coordinates","264826","2021-05-04","01:50:15",""
"7707313","9.0332","0.0003","9.2739","0.0003","14.3155","0.0004","98.566","0.002","98.464","0.002","115.332","0.003","1041.57","0.07","152","5","152","5","","","","","","","Synthesize","6","P -1","-P 1","2","","","","- C21 H18 Br Cu N3 O4 -","- C21 H18 Br Cu N3 O4 -","- C42 H36 Br2 Cu2 N6 O8 -","2","1","","., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram","Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections","Dalton Transactions","2021","","","","","10.1039/D1DT00199J","","x-ray","0.71073","MoKα","","0.0463","0.0325","","","0.0659","0.0695","","","","","","1.0276","","","","has coordinates","264826","2021-05-04","01:50:15",""
"7707314","8.5888","0.0003","10.4392","0.0004","27.4486","0.0008","90","","92.294","0.003","90","","2459.07","0.15","293","2","293","2","","","","","","","Synthesize","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cu N3 O4 -","- C28 H25 Cu N3 O4 -","- C112 H100 Cu4 N12 O16 -","4","1","","., Richa; Kushwaha , Namrata; Negi, Sheetal; Kumar, Ajay; Zangrando, Ennio; Kataria, Ramesh; Saini, Vikram","Synthesis, characterization and utility of a series of novel copper(II) complexes as an excellent surface disinfectant against nosocomial infections","Dalton Transactions","2021","","","","","10.1039/D1DT00199J","","x-ray","0.71073","MoKα","","0.0903","0.0631","","","0.166","0.1921","","","","","","1.053","","","","has coordinates","264826","2021-05-04","01:50:15",""
"7707315","7.3068","0.0003","7.3068","0.0003","28.521","0.0012","90","","90","","120","","1318.71","0.09","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","Ba3PbTe6O16","","- Ba9 O48 Pb3 Te18 -","- Ba9 O48 Pb3 Te18 -","- Ba9 O48 Pb3 Te18 -","1","0.0555556","","Li, Han-Ying; Lii, Kwang-Hwa","Hydrothermal synthesis, crystal structures, and X-ray photoelectron spectroscopy of lead tellurium(IV) and tellurium(VI) oxycompounds: Ba<sub>3</sub>PbTe<sub>6</sub>O<sub>16</sub> and Na<sub>2</sub>Pb<sub>9</sub>(μ<sub>6</sub>-O)<sub>2</sub>(Te<sub>2</sub>O<sub>10</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8189","8195","10.1039/d1dt00566a","","","0.71073","MoKα","","0.0265","0.0229","","","0.0532","0.0546","","","","","","1.071","","","","has coordinates","267195","2021-07-05","17:44:23",""
"7707316","8.963","0.0002","11.3476","0.0003","11.2907","0.0003","90","","90","","90","","1148.36","0.05","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","Na2Pb9Te4O22","","- Na2 O22 Pb9 Te4 -","- Na2 O22 Pb9 Te4 -","- Na4 O44 Pb18 Te8 -","2","0.125","","Li, Han-Ying; Lii, Kwang-Hwa","Hydrothermal synthesis, crystal structures, and X-ray photoelectron spectroscopy of lead tellurium(IV) and tellurium(VI) oxycompounds: Ba<sub>3</sub>PbTe<sub>6</sub>O<sub>16</sub> and Na<sub>2</sub>Pb<sub>9</sub>(μ<sub>6</sub>-O)<sub>2</sub>(Te<sub>2</sub>O<sub>10</sub>)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8189","8195","10.1039/d1dt00566a","","","0.71073","MoKα","","0.0369","0.0355","","","0.0985","0.0993","","","","","","1.125","","","","has coordinates","267195","2021-07-05","17:44:23",""
"7707317","10.0658","0.0002","24.2061","0.0004","10.8597","0.0002","90","","107.976","0.002","90","","2516.84","0.08","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 Br2 Cl2 N3 O6 Ti -","- C21 H23 Br2 Cl2 N3 O6 Ti -","- C84 H92 Br8 Cl8 N12 O24 Ti4 -","4","1","","Nahari, Gilad; Tshuva, Edit Y.","Synthesis of asymmetrical diaminobis(alkoxo)-bisphenol compounds and their C<sub>1</sub>-symmetrical mono-ligated titanium(iv) complexes as highly stable highly active antitumor compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6423","6426","10.1039/d1dt00219h","","x-ray","0.71073","MoKα","","0.0664","0.0481","","","0.0847","0.0892","","","","","","1.116","","","","has coordinates,has disorder","266011","2021-06-05","18:33:38",""
"7707318","13.3083","0.001","6.3183","0.0004","12.2565","0.0008","90","","109.22","0.004","90","","973.15","0.12","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C4 H6 N8 O6 -","- C4 H6 N8 O6 -","- C16 H24 N32 O24 -","4","1","","Yang, Kaidi; Bi, Fuqiang; Xue, Qi; Huo, Huan; Bai, Chao; Zhang, Junlin; Wang, Bozhou","Synthesis and properties of azamonocyclic energetic materials with geminal explosophores.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8338","8348","10.1039/d1dt00581b","","","0.71073","MoKα","","0.0345","0.028","","","0.056","0.06","","","","","","1.088","","","","has coordinates","267139","2021-07-05","17:27:17",""
"7707319","11.0204","0.0004","15.539","0.0005","33.3517","0.0011","90","","90","","90","","5711.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N6 O8 -","- C4 H6 N6 O8 -","- C96 H144 N144 O192 -","24","6","","Yang, Kaidi; Bi, Fuqiang; Xue, Qi; Huo, Huan; Bai, Chao; Zhang, Junlin; Wang, Bozhou","Synthesis and properties of azamonocyclic energetic materials with geminal explosophores.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8338","8348","10.1039/d1dt00581b","","","1.54178","CuKα","","0.0628","0.0582","","","0.1503","0.1553","","","","","","1.055","","","","has coordinates,has disorder","267139","2021-07-05","17:27:17",""
"7707320","4.4311","0.0001","24.7331","0.0009","9.2143","0.0003","90","","91.265","0.001","90","","1009.59","0.05","105","2","105","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N4 O2 -","- C11 H10 N4 O2 -","- C44 H40 N16 O8 -","4","1","","Dutta, Debarpan; Maity, Suvendu; Kundu, Suman; Ghosh, Prasanta","Mixed-valence di-ruthenium(II,III) complexes of redox non-innocent <i>N</i>-aryl-<i>o</i>-phenylenediamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7791","7803","10.1039/d1dt00779c","","","0.71073","MoKα","","0.053","0.0489","","","0.1225","0.1255","","","","","","1.082","","","","has coordinates","267164","2021-07-05","17:34:57",""
"7707321","10.5528","0.0003","13.5142","0.0004","18.0956","0.0006","79.778","0.001","73.147","0.001","69.468","0.001","2304.65","0.12","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H39 Cl5 N4 O2 P2 Ru -","- C48 H39 Cl5 N4 O2 P2 Ru -","- C96 H78 Cl10 N8 O4 P4 Ru2 -","2","1","","Dutta, Debarpan; Maity, Suvendu; Kundu, Suman; Ghosh, Prasanta","Mixed-valence di-ruthenium(II,III) complexes of redox non-innocent <i>N</i>-aryl-<i>o</i>-phenylenediamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7791","7803","10.1039/d1dt00779c","","","0.71073","MoKα","","0.0549","0.0444","","","0.1076","0.1199","","","","","","1.084","","","","has coordinates","267164","2021-07-05","17:34:57",""
"7707322","9.4309","0.0008","13.1135","0.0011","19.2559","0.0017","87.976","0.003","88.366","0.003","84.158","0.003","2366.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H41 Cl5 N4 O3 P2 Ru2 -","- C48 H42 Cl5 N4 O3 P2 Ru2 -","- C96 H84 Cl10 N8 O6 P4 Ru4 -","2","1","","Dutta, Debarpan; Maity, Suvendu; Kundu, Suman; Ghosh, Prasanta","Mixed-valence di-ruthenium(II,III) complexes of redox non-innocent <i>N</i>-aryl-<i>o</i>-phenylenediamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7791","7803","10.1039/d1dt00779c","","","0.71073","MoKα","","0.0901","0.0764","","","0.1695","0.1796","","","","","","1.171","","","","has coordinates","267164","2021-07-05","17:34:57",""
"7707323","9.9317","0.0004","10.6409","0.0004","14.874","0.0006","71.908","0.001","87.17","0.001","89.072","0.001","1492.38","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H46 Cl4 N8 O8 P2 Ru2 -","- C60 H46 Cl4 N8 O8 P2 Ru2 -","- C60 H46 Cl4 N8 O8 P2 Ru2 -","1","0.5","","Dutta, Debarpan; Maity, Suvendu; Kundu, Suman; Ghosh, Prasanta","Mixed-valence di-ruthenium(II,III) complexes of redox non-innocent <i>N</i>-aryl-<i>o</i>-phenylenediamine derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7791","7803","10.1039/d1dt00779c","","","0.71073","MoKα","","0.0387","0.0331","","","0.0735","0.0808","","","","","","1.221","","","","has coordinates","267164","2021-07-05","17:34:57",""
"7707324","19.30536","0.0001","21.42084","0.0001","30.38661","0.00015","90","","90","","90","","12566","0.11","123.01","0.1","123.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C63 H56 Au4 Cl6 N2 P4 -","- C63 H56 Au4 Cl6 N2 P4 -","- C504 H448 Au32 Cl48 N16 P32 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari","Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8154","8166","10.1039/d1dt00402f","","","1.54184","CuKα","","0.0282","0.027","","","0.0639","0.0646","","","","","","1.117","","","","has coordinates","267203","2021-07-05","17:45:59",""
"7707325","25.7663","0.0006","7.6243","0.0001","22.742","0.0003","90","","134.217","0.001","90","","3201.99","0.11","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H34 Au2 N2 P2 -","- C37 H34 Au2 N2 P2 -","- C148 H136 Au8 N8 P8 -","4","0.5","","Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari","Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8154","8166","10.1039/d1dt00402f","","","1.54184","CuKα","","0.0216","0.021","","","0.0557","0.0562","","","","","","1.113","","","","has coordinates","267203","2021-07-05","17:45:59",""
"7707326","16.5827","0.0003","9.97851","0.00017","19.3563","0.0003","90","","104.661","0.0018","90","","3098.62","0.09","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 Au2 N2 P2 -","- C36 H32 Au2 N2 P2 -","- C144 H128 Au8 N8 P8 -","4","0.5","","Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari","Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8154","8166","10.1039/d1dt00402f","","","1.54184","CuKα","","0.0384","0.0376","","","0.1045","0.1052","","","","","","1.138","","","","has coordinates","267203","2021-07-05","17:45:59",""
"7707327","36.692","0.0007","21.4267","0.0005","13.825","0.0003","90","","90","","90","","10869.1","0.4","123","0.1","123","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C56 H51 Au3 N3 P3 -","- C56 H51 Au3 N3 P3 -","- C448 H408 Au24 N24 P24 -","8","1","","Ferrer, Montserrat; Gutiérrez, Albert; Martínez, Manuel; Da Silva, Cristiana; Netto, Adelino V. G.; Rodríguez, Laura; Romo-Islas, Guillermo; Pan, Fangfang; Rissanen, Kari","Base-assisted synthesis of 4-pyridinate gold(I) metallaligands: a study of their use in self-assembly reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8154","8166","10.1039/d1dt00402f","","","1.54184","CuKα","","0.0693","0.066","","","0.1754","0.1768","","","","","","1.206","","","","has coordinates","267203","2021-07-05","17:45:59",""
"7707328","12.2002","0.0003","12.6969","0.0003","18.9004","0.0005","90","","90","","90","","2927.76","0.13","295","2","295","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H32 Cd N4 O8 S2 -","- C26 H32 Cd N4 O8 S2 -","- C104 H128 Cd4 N16 O32 S8 -","4","0.5","","Guo, Dan-Dan; Li, Bo; Deng, Zhao-Peng; Huo, Li-Hua; Gao, Shan","A rational design of layered metal-organic framework towards high-performance adsorption of hazardous organic dye.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7818","7825","10.1039/d0dt04174b","","","0.71073","MoKα","","0.0517","0.0344","","","0.0706","0.0784","","","","","","1.034","","","","has coordinates","267162","2021-07-05","17:34:39",""
"7707329","10.2471","0.0002","43.0335","0.0008","10.3618","0.0002","90","","90","","90","","4569.23","0.15","293","2","293","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H42 K N O8 -","- C56 H42 K N O8 -","- C224 H168 K4 N4 O32 -","4","0.5","","Yang, Qianqian; Wang, Yijie; Yang, Jianjian; Yin, Jianbo; Liu, Di; Liu, Ning; Wang, Rongming; Sun, Daofeng; Li, Xiyou; Jiang, Jianzhuang","An anionic potassium-organic framework for selective removal of uranyl ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8314","8321","10.1039/d1dt00822f","","x-ray","1.54178","CuKα","","0.0449","0.0424","","","0.1232","0.1274","","","","","","1.035","","","","has coordinates,has disorder","267136","2021-07-05","17:26:07",""
"7707330","3.7484","0.0003","3.9049","0.0003","16.6283","0.0013","90","","90","","90","","243.39","0.03","99.98","0.13","99.98","0.13","","","","","","","","3","I m m m","-I 2 2","71","","","","- I2 O2 W -","- I2 O2 W -","- I4 O4 W2 -","2","0.125","","Löber, Manuel; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","W<sub>2</sub>O<sub>3</sub>I<sub>4</sub> and WO<sub>2</sub>I<sub>2</sub>: metallic phases in the chemical transport reaction of tungsten.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6789","6792","10.1039/d1dt01212f","","x-ray","0.71073","MoKα","","0.0203","0.0181","","","0.0403","0.0411","","","","","","1.071","","","","has coordinates","266044","2021-06-05","18:42:23",""
"7707331","9.2484","0.0006","7.4882","0.0004","13.3648","0.0008","90","","98.81","0.006","90","","914.64","0.1","100","0.1","100","0.1","","","","","","","","3","I 1 2/m 1","-I 2y","12","","","","- I4 O3 W2 -","- I4 O3 W2 -","- I16 O12 W8 -","4","0.5","","Löber, Manuel; Ströbele, Markus; Romao, Carl P.; Meyer, Hans-Jürgen","W<sub>2</sub>O<sub>3</sub>I<sub>4</sub> and WO<sub>2</sub>I<sub>2</sub>: metallic phases in the chemical transport reaction of tungsten.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6789","6792","10.1039/d1dt01212f","","x-ray","0.71073","MoKα","","0.0317","0.0297","","","0.0672","0.0684","","","","","","1.048","","","","has coordinates","266044","2021-06-05","18:42:23",""
"7707332","11.907","0.003","14.568","0.003","16.881","0.004","90","","90","","90","","2928.2","1.2","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C58 H60 Cl2 Co N8 O4 -","- C58 H60 Cl2 Co N8 O4 -","- C116 H120 Cl4 Co2 N16 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0846","0.0596","","","0.1683","0.2031","","","","","","1.072","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707333","11.926","0.005","14.364","0.006","17.229","0.007","90","","90","","90","","2951","2","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C46 H40 Cl2 Co N4 O4 -","- C46 H40 Cl2 Co N4 O4 -","- C92 H80 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.1293","0.0749","","","0.1974","0.2261","","","","","","0.968","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707334","11.8964","0.0016","14.5101","0.0019","17.098","0.002","90","","90","","90","","2951.4","0.7","298","2","298","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C62 H76 Cl2 Co N8 -","- C62 H76 Cl2 Co N8 -","- C124 H152 Cl4 Co2 N16 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0784","0.059","","","0.1737","0.1899","","","","","","1.065","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707335","12.13","0.005","14.882","0.007","16.881","0.007","90","","90","","90","","3047","2","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C62 H72 Cl2 Co N4 O4 -","- C62 H72 Cl2 Co N4 O4 -","- C124 H144 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0944","0.0648","","","0.1717","0.1924","","","","","","1.043","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707336","12.234","0.005","14.694","0.005","16.978","0.005","90","0.005","90","0.005","90","0.005","3052.1","1.9","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C54 H56 Cl2 Co N4 O4 -","- C54 H56 Cl2 Co N4 O4 -","- C108 H112 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71069","MoKα","","0.1351","0.0845","","","0.2357","0.2692","","","","","","1.091","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707337","11.997","0.004","14.189","0.005","17.245","0.005","90","","90","","90","","2935.5","1.7","298","2","298","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C58 H56 Cl2 Co N4 O4 -","- C58 H56 Cl2 Co N4 O4 -","- C116 H112 Cl4 Co2 N8 O8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0678","0.0516","","","0.1405","0.1568","","","","","","1.071","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707338","11.969","0.014","14.578","0.016","17.092","0.02","90","","90","","90","","2982","6","298","2","298","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C46 H32 Cl2 Co N4 -","- C46 H32 Cl2 Co N4 -","- C92 H64 Cl4 Co2 N8 -","2","0.25","","Cui, Ruoyu; Niu, Helin; Sheng, Enhong","Coordination-induced spontaneous resolution of a TPPE-based MOF and its use as a crystalline sponge in guest determination.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7186","7190","10.1039/d1dt00928a","","","0.71073","MoKα","","0.0635","0.045","","","0.12","0.1309","","","","","","0.916","","","","has coordinates","266101","2021-06-05","19:00:27",""
"7707339","5.0813","0.0001","12.249","0.0004","36.8728","0.0009","90","","90","","90","","2294.99","0.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(2,6-di(pyrazol-1-yl)pyridine)-4-carboxamido]ethyl (R)-lipoate (L2)","","- C22 H26 N6 O3 S2 -","- C22 H26 N6 O3 S2 -","- C88 H104 N24 O12 S8 -","4","1","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.0417","0.0371","","","0.0862","0.0892","","","","","","1.072","","","","has coordinates","266109","2021-06-05","19:02:35",""
"7707340","13.6682","0.0003","17.9378","0.0005","26.889","0.0008","78.756","0.003","84.199","0.002","79.817","0.002","6349","0.3","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","Bis[(2,6-di{pyrazol-1-yl}pyridine-4-carbonyl)amino]propionic acid iron(II) diperchlorate bis-acetonitrile solvate ([Fe(L6)2][ClO4]2.2MeCN)","","- C34 H34 Cl2 Fe N14 O14 -","- C34 H34 Cl2 Fe N14 O14 -","- C204 H204 Cl12 Fe6 N84 O84 -","6","3","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.146","0.0984","","","0.2777","0.3331","","","","","","1.046","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707341","13.7327","0.0002","16.108","0.0002","16.7324","0.0003","90","","94.0283","0.0014","90","","3692.17","0.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(2,6-di{pyrazol-1-yl}pyridine-4-carbonyl)amino]acetic acid iron(II) diperchlorate acetonitrile solvate ([Fe(L5)2][ClO4]2.MeCN)","","- C30 H27 Cl2 Fe N13 O14 -","- C30 H27 Cl2 Fe N13 O14 -","- C120 H108 Cl8 Fe4 N52 O56 -","4","1","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.0775","0.0684","","","0.1966","0.2082","","","","","","1.038","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707342","12.2001","0.0002","10.0229","0.0002","30.9937","0.0004","90","","90","","90","","3789.92","0.11","150.01","0.1","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tertbutyl 2-[(2,6-di(pyrazol-1-yl)pyridine)-4-carboxamido]acetate","","- C18 H20 N6 O3 -","- C18 H20 N6 O3 -","- C144 H160 N48 O24 -","8","1","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.0464","0.0397","","","0.1055","0.1112","","","","","","1.055","","","","has coordinates","266109","2021-06-05","19:02:35",""
"7707343","38.6148","0.0007","5.2928","0.0001","20.9507","0.0003","90","","105.394","0.002","90","","4128.29","0.13","120","0.16","120.15","","","","","","","","","5","C 1 2 1","C 2y","5","","[2,6-di(pyrazol-1-yl)pyrid-4-yl]methyl (R)-lipoate","","- C20 H23 N5 O2 S2 -","- C20 H23 N5 O2 S2 -","- C160 H184 N40 O16 S16 -","8","2","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","","1.54184","CuKα","","0.0353","0.0324","","","0.0802","0.0822","","","","","","1.042","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707344","7.1017","0.0001","17.0738","0.0001","18.7947","0.0002","90","","91.382","0.001","90","","2278.25","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2-[(2,6-Di(pyrazol-1-yl)pyridine)-4-carboxy]ethyl (R)-lipoate (L3)","","- C22 H25 N5 O4 S2 -","- C22 H25 N5 O4 S2 -","- C88 H100 N20 O16 S8 -","4","2","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","0.6889","synchrotron","","0.0936","0.0796","","","0.2257","0.2354","","","","","","1.09","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707345","13.8756","0.0004","16.2798","0.0007","17.2477","0.001","90","","95.073","0.003","90","","3880.9","0.3","330","2","330","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[(2,6-di{pyrazol-1-yl}pyridine-4-carbonyl)amino]acetic acid iron(II) diperchlorate acetonitrile solvate ([Fe(L5)2][ClO4]2.MeCN)","","- C30 H27 Cl2 Fe N13 O14 -","- C30 H27 Cl2 Fe N13 O14 -","- C120 H108 Cl8 Fe4 N52 O56 -","4","1","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.1061","0.0755","","","0.2188","0.2527","","","","","","1.061","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707346","13.6232","0.0003","17.815","0.0003","26.3257","0.0004","78.877","0.002","83.742","0.002","78.844","0.002","6133.6","0.2","120","2","120.15","","","","","","","","","6","P -1","-P 1","2","","Bis[(2,6-di{pyrazol-1-yl}pyridine-4-carbonyl)amino]propionic acid iron(II) diperchlorate bis-acetonitrile solvate","","- C34 H34 Cl2 Fe N14 O14 -","- C34 H34 Cl2 Fe N14 O14 -","- C204 H204 Cl12 Fe6 N84 O84 -","6","3","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","","1.54184","CuKα","","0.0645","0.0566","","","0.1419","0.1479","","","","","","1.028","","","","has coordinates,has disorder","266109","2021-06-05","19:02:35",""
"7707347","12.2629","0.0005","13.2489","0.0006","17.0384","0.0007","96.85","0.003","91.115","0.003","99.672","0.004","2707.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H54 Br4 Co N4 O2 -","- C52 H54 Br4 Co N4 O2 -","- C104 H108 Br8 Co2 N8 O4 -","2","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","0.71075","MoKα","","0.1343","0.1136","","","0.2782","0.2974","","","","","","1.098","","","","has coordinates,has disorder","267192","2021-07-05","17:43:46",""
"7707348","11.4774","0.0008","14.5787","0.001","26.021","0.003","90","","100.235","0.008","90","","4284.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Br2 Co2 N4 O5 -","- C45 H36 Br2 Co2 N4 O5 -","- C180 H144 Br8 Co8 N16 O20 -","4","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","1.54178","CuKα","","0.1943","0.1281","","","0.3311","0.3709","","","","","","1.226","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707349","8.4718","0.0005","9.2109","0.0003","12.2495","0.0005","101.186","0.003","102.715","0.004","97.208","0.004","900.47","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Br2 Co2 N4 O6 -","- C32 H38 Br2 Co2 N4 O6 -","- C32 H38 Br2 Co2 N4 O6 -","1","0.5","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","1.54184","CuKα","","0.0429","0.0422","","","0.118","0.1185","","","","","","1.072","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707350","15.7781","0.0001","25.0018","0.0002","16.2838","0.0001","90","","91.911","0.001","90","","6420.08","0.08","100","2","100","2","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C62 H65 Br4 Co2 N11 O4 -","- C62 H65 Br4 Co2 N11 O4 -","- C248 H260 Br16 Co8 N44 O16 -","4","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","0.71073","MoKα","","0.0381","0.0315","","","0.0618","0.0637","","","","","","1.023","","","","has coordinates,has disorder","267192","2021-07-05","17:43:46",""
"7707351","8.3472","0.0001","18.8457","0.0003","12.5811","0.0002","90","","108.941","0.002","90","","1871.96","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Br6 Co3 N10 -","- C20 H30 Br6 Co3 N10 -","- C40 H60 Br12 Co6 N20 -","2","0.5","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","0.71075","MoKα","","0.0184","0.0166","","","0.0362","0.0366","","","","","","1.17","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707352","12.3952","0.0001","12.3952","0.0001","30.5277","0.0003","90","","90","","120","","4061.92","0.06","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C12 H18 Br6 Fe3 N6 O -","- C12 H18 Br6 Fe3 N6 O -","- C72 H108 Br36 Fe18 N36 O6 -","6","0.333333","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","1.54184","CuKα","","0.0189","0.0188","","","0.0473","0.0474","","","","","","1.111","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707353","10.416","0.002","11.156","0.004","11.738","0.004","78.04","0.03","70.59","0.02","87.78","0.02","1257.8","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H44 Br6 Co4 N6 O6 -","- C36 H44 Br6 Co4 N6 O6 -","- C36 H44 Br6 Co4 N6 O6 -","1","0.5","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","0.71073","MoKα","","0.0746","0.0351","","","0.065","0.0715","","","","","","0.823","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707354","15.6606","0.0004","16.0326","0.0004","37.4062","0.0011","90","","99.896","0.003","90","","9252.2","0.4","100.15","","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H86 Br8 Fe4 N10 O5 -","- C96 H86 Br8 Fe4 N10 O5 -","- C384 H344 Br32 Fe16 N40 O20 -","4","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","x-ray","1.54184","CuKα","","0.1292","0.0698","","","0.1523","0.1778","","","","","","1.012","","","","has coordinates,has disorder","267192","2021-07-05","17:43:46",""
"7707355","12.6268","0.0005","30.3249","0.001","24.6577","0.001","90","","100.817","0.003","90","","9273.8","0.6","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H110 Fe N11 O4 -","- C110 H106 Fe N11 O4 -","- C440 H424 Fe4 N44 O16 -","4","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","0.71073","MoKα","","0.1502","0.057","","","0.1005","0.1224","","","","","","0.913","","","","has coordinates,has disorder","267192","2021-07-05","17:43:46",""
"7707356","14.2077","0.0006","27.6241","0.0009","15.1579","0.0008","90","","112.484","0.006","90","","5496.9","0.5","100.15","","100.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Br2 Fe N4 O2 -","- C52 H52 Br2 Fe N4 O2 -","- C208 H208 Br8 Fe4 N16 O8 -","4","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","0.71073","MoKα","","0.088","0.0668","","","0.1681","0.1796","","","","","","1.05","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707357","8.5199","0.0001","9.2098","0.0001","12.1881","0.0002","101.211","0.001","102.466","0.001","97.409","0.001","901.29","0.02","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Br2 Fe2 N4 O6 -","- C32 H38 Br2 Fe2 N4 O6 -","- C32 H38 Br2 Fe2 N4 O6 -","1","0.5","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","","1.54178","CuKα","","0.0312","0.0299","","","0.0807","0.0822","","","","","","1.091","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707358","13.6454","0.0005","13.907","0.0007","15.6432","0.0008","67.263","0.005","88.642","0.004","81.638","0.004","2707","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106 H107 Br8 Fe4 N9 O5 -","- C106 H107 Br8 Fe4 N9 O5 -","- C106 H107 Br8 Fe4 N9 O5 -","1","0.5","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","x-ray","0.71073","MoKα","K-L~3~","0.0965","0.0605","","","0.1483","0.1638","","","","","","1.049","","","","has coordinates","267192","2021-07-05","17:43:46",""
"7707359","10.0808","0.0002","15.0015","0.0004","18.6604","0.0004","71.443","0.002","82.738","0.002","76.6","0.002","2598.16","0.11","99.9","0.6","99.9","0.6","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Br3 Cu2 N6 O2 -","- C56 H58 Br3 Cu2 N6 O2 -","- C112 H116 Br6 Cu4 N12 O4 -","2","1","","Wang, Kuiyuan; Prior, Timothy J.; Hughes, David L.; Arbaoui, Abdessamad; Redshaw, Carl","Coordination chemistry of [2 + 2] Schiff-base macrocycles derived from the dianilines [(2-NH<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)<sub>2</sub>X] (X = CH<sub>2</sub>CH<sub>2</sub>, O): structural studies and ROP capability towards cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8057","8069","10.1039/d1dt00711d","","x-ray","1.54184","CuKα","","0.0676","0.0666","","","0.1824","0.1835","","","","","","1.061","","","","has coordinates,has disorder","267192","2021-07-05","17:43:46",""
"7707360","12.4626","0.0013","13.1639","0.0014","13.6063","0.0015","70.056","0.003","75.396","0.003","76.322","0.003","2002.6","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H126 La2 O10 -","- C86 H126 La2 O10 -","- C86 H126 La2 O10 -","1","0.5","","Chang, Kejian; Del Rosal, Iker; Zheng, Xizhou; Maron, Laurent; Xu, Xin","Hydrosilylative reduction of carbon dioxide by a homoleptic lanthanum aryloxide catalyst with high activity and selectivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7804","7809","10.1039/d1dt01074c","","","0.71073","MoKα","","0.0408","0.0297","","","0.0786","0.0913","","","","","","1.087","","","","has coordinates","267155","2021-07-05","17:33:14",""
"7707361","9.163","0.0005","11.2045","0.0006","24.019","0.0018","89.234","0.005","85.686","0.005","79.545","0.005","2418.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C45 H33 F18 K N7 O4 P3 Ru -","- C45 H33 F18 K N7 O4 P3 Ru -","- C90 H66 F36 K2 N14 O8 P6 Ru2 -","2","1","","Rajah, Divya; Pfrunder, Michael C.; Chong, Bowie S. K.; Ireland, Alexander R.; Etchells, Isaac M.; Moore, Evan G.","Sensitised lanthanide luminescence using a Ru<sup>II</sup> polypyridyl functionalised dipicolinic acid chelate.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7400","7408","10.1039/d1dt00982f","","x-ray","0.71073","MoKα","","0.1614","0.128","","","0.3302","0.3709","","","","","","1.069","","","","has coordinates,has disorder","266098","2021-06-05","18:59:40",""
"7707362","8.9184","0.0018","11.079","0.002","15.575","0.003","77.613","0.007","73.371","0.009","89.179","0.009","1438.4","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 B10 N O -","- C31 H29 B10 N O -","- C62 H58 B20 N2 O2 -","2","1","","Li, Jiaxin; Xu, Jinkai; Yan, Linbo; Lu, Changsheng; Yan, Hong","A ""flexible"" carborane-cored luminogen: variable emission behaviours in aggregates.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8029","8035","10.1039/d1dt00233c","","","1.34139","GaKα","","0.0658","0.0551","","","0.1091","0.1127","","","","","","1.052","","","","has coordinates","267187","2021-07-05","17:42:23",""
"7707363","12.272","0.0008","28.4854","0.0018","8.7147","0.0005","90","","107.071","0.002","90","","2912.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 B10 N O -","- C31 H29 B10 N O -","- C124 H116 B40 N4 O4 -","4","1","","Li, Jiaxin; Xu, Jinkai; Yan, Linbo; Lu, Changsheng; Yan, Hong","A ""flexible"" carborane-cored luminogen: variable emission behaviours in aggregates.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8029","8035","10.1039/d1dt00233c","","","0.71073","MoKα","","0.0965","0.0618","","","0.1446","0.169","","","","","","1.031","","","","has coordinates","267187","2021-07-05","17:42:23",""
"7707364","8.0751","0.0002","11.6201","0.0002","14.454","0.0002","103.8","0.002","92.704","0.002","107.122","0.002","1248.63","0.05","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H27 Cl F6 Ir N2 O2 P -","- C22 H27 Cl F6 Ir N2 O2 P -","- C44 H54 Cl2 F12 Ir2 N4 O4 P2 -","2","1","","Masaryk, Lukáš; Nemec, Ivan; Kašpárková, Jana; Brabec, Viktor; Štarha, Pavel","Unexpected solution behaviour of ester-functionalized half-sandwich Ru(II) and Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8017","8028","10.1039/d1dt00466b","","","1.54184","CuKα","","0.0328","0.0312","","","0.0788","0.0802","","","","","","1.04","","","","has coordinates","267197","2021-07-05","17:44:43",""
"7707365","11.2314","0.0003","13.0071","0.0004","13.1196","0.0003","90.538","0.002","112.411","0.002","111.767","0.002","1619.95","0.09","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl5 F6 N2 O4 P Ru -","- C26 H26 Cl5 F6 N2 O4 P Ru -","- C52 H52 Cl10 F12 N4 O8 P2 Ru2 -","2","1","","Masaryk, Lukáš; Nemec, Ivan; Kašpárková, Jana; Brabec, Viktor; Štarha, Pavel","Unexpected solution behaviour of ester-functionalized half-sandwich Ru(II) and Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8017","8028","10.1039/d1dt00466b","","","1.54184","CuKα","","0.0653","0.0595","","","0.1657","0.1713","","","","","","1.049","","","","has coordinates,has disorder","267197","2021-07-05","17:44:43",""
"7707366","9.3607","0.0002","10.5073","0.0003","13.3311","0.0003","95.433","0.002","91.504","0.002","107.988","0.002","1239.36","0.05","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 Cl F6 N2 O2 P Ru -","- C22 H26 Cl F6 N2 O2 P Ru -","- C44 H52 Cl2 F12 N4 O4 P2 Ru2 -","2","1","","Masaryk, Lukáš; Nemec, Ivan; Kašpárková, Jana; Brabec, Viktor; Štarha, Pavel","Unexpected solution behaviour of ester-functionalized half-sandwich Ru(II) and Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8017","8028","10.1039/d1dt00466b","","","1.54184","CuKα","","0.0471","0.0422","","","0.1127","0.1172","","","","","","1.06","","","","has coordinates,has disorder","267197","2021-07-05","17:44:43",""
"7707367","11.1726","0.0002","13.6947","0.0002","20.3963","0.0004","93.817","0.002","94.469","0.001","103.933","0.001","3007.95","0.09","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H62 Cl2 F12 N4 O9 P2 Ru2 -","- C52 H62 Cl2 F12 N4 O9 P2 Ru2 -","- C104 H124 Cl4 F24 N8 O18 P4 Ru4 -","2","1","","Masaryk, Lukáš; Nemec, Ivan; Kašpárková, Jana; Brabec, Viktor; Štarha, Pavel","Unexpected solution behaviour of ester-functionalized half-sandwich Ru(II) and Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8017","8028","10.1039/d1dt00466b","","","1.54184","CuKα","","0.0369","0.0333","","","0.0902","0.0926","","","","","","1.026","","","","has coordinates,has disorder","267197","2021-07-05","17:44:43",""
"7707368","8.9275","0.0011","9.3122","0.0012","22.021","0.003","86.863","0.002","87.394","0.003","87.946","0.002","1825.1","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H27 F12 N7 O2 P2 Ru -","- C35 H27 F12 N7 O2 P2 Ru -","- C70 H54 F24 N14 O4 P4 Ru2 -","2","1","","Oyama, Dai; Kanno, Takatoshi; Takase, Tsugiko","Hydroquinone/quinone electro- and photochemical interconversion in isolable polypyridylruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7759","7767","10.1039/d1dt00678a","","","0.71075","MoKα","","0.1074","0.0902","","","0.2331","0.2449","","","","","","1.11","","","","has coordinates","267154","2021-07-05","17:33:08",""
"7707369","12.4452","0.0002","12.9054","0.0002","49.4032","0.0007","90","","92.688","0.001","90","","7925.9","0.2","293.15","","293.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33.25 H28 F12 N6 O3 P2 Ru -","- C33.25 H28 F12 N6 O3 P2 Ru -","- C266 H224 F96 N48 O24 P16 Ru8 -","8","1","","Oyama, Dai; Kanno, Takatoshi; Takase, Tsugiko","Hydroquinone/quinone electro- and photochemical interconversion in isolable polypyridylruthenium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7759","7767","10.1039/d1dt00678a","","x-ray","0.71073","MoKα","","0.1058","0.0876","","","0.1944","0.202","","","","","","1.276","","","","has coordinates,has disorder","267154","2021-07-05","17:33:09",""
"7707370","16.1522","0.0018","9.8495","0.0011","19.642","0.002","90","","90","","90","","3124.9","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H44 Mn3 O38 P4 Ru2 -","- H44 Mn3 O38 P4 Ru2 -","- H176 Mn12 O152 P16 Ru8 -","4","0.5","","Xue, Xiang-Xian; Ding, Tuo; Zhang, Pei; Yang, Jian-Hui; Liu, Bin","Interlayer hydrogen bonding directed magnetic properties for a different number of water-intercalated structural heterometallic phosphates based on paddlewheel units Ru<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub><sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8364","8371","10.1039/d1dt00896j","","","0.71073","MoKα","","0.0476","0.0468","","","0.1445","0.1455","","","","","","1.087","","","","has coordinates","267147","2021-07-05","17:30:07",""
"7707371","7.5776","0.0016","9.922","0.002","19.421","0.004","90","","111.735","0.007","90","","1356.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H32 Mn3 O32 P4 Ru2 -","- H32 Mn3 O32 P4 Ru2 -","- H64 Mn6 O64 P8 Ru4 -","2","0.5","","Xue, Xiang-Xian; Ding, Tuo; Zhang, Pei; Yang, Jian-Hui; Liu, Bin","Interlayer hydrogen bonding directed magnetic properties for a different number of water-intercalated structural heterometallic phosphates based on paddlewheel units Ru<sub>2</sub>(PO<sub>4</sub>)<sub>4</sub><sup>6</sup>.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8364","8371","10.1039/d1dt00896j","","","0.71073","MoKα","","0.0433","0.042","","","0.1209","0.1226","","","","","","1.054","","","","has coordinates","267147","2021-07-05","17:30:09",""
"7707372","18.8286","0.0014","14.4611","0.0009","8.3598","0.0006","90","","90","","90","","2276.2","0.3","123","2","123","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C21 H24 Be I2 N2 -","- C21 H24 Be I2 N2 -","- C84 H96 Be4 I8 N8 -","4","0.5","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0351","0.0284","","","0.074","0.0781","","","","","","1.032","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707373","10.1607","0.0005","10.8221","0.0006","15.3532","0.0007","79.165","0.004","84.319","0.004","69.715","0.005","1554.26","0.15","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Be Br2 P2 -","- C37 H30 Be Br2 P2 -","- C74 H60 Be2 Br4 P4 -","2","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0984","0.0752","","","0.185","0.1978","","","","","","1.054","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707374","10.1088","0.0004","17.9685","0.0006","15.4443","0.0006","90","","100.191","0.004","90","","2761.04","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Be Br2 N2 -","- C27 H36 Be Br2 N2 -","- C108 H144 Be4 Br8 N8 -","4","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.052","0.0358","","","0.0835","0.0891","","","","","","1.034","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707375","16.9196","0.0003","9.8805","0.0002","19.4832","0.0003","90","","101.905","0.002","90","","3187.03","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27.25 H46 Be I2 N4 -","- C27.25 H46 Be I2 N4 -","- C109 H184 Be4 I8 N16 -","4","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0495","0.0474","","","0.1036","0.1042","","","","","","1.389","","","","has coordinates,has disorder","267150","2021-07-05","17:31:19",""
"7707376","11.7053","0.0001","12.2695","0.0001","20.3965","0.0002","94.472","0.001","98.026","0.001","102.927","0.001","2808.94","0.05","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H71 Al Be I2 N2 P2 -","- C61 H71 Al Be I2 N2 P2 -","- C122 H142 Al2 Be2 I4 N4 P4 -","2","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0248","0.0218","","","0.053","0.0545","","","","","","1.051","","","","has coordinates,has disorder","267150","2021-07-05","17:31:19",""
"7707377","22.3321","0.0007","22.3321","0.0007","20.3419","0.0018","90","","90","","90","","10145","1","123","2","123","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C26 H24 Be I2 P2 -","- C26 H24 Be I2 P2 -","- C416 H384 Be16 I32 P32 -","16","0.5","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.1213","0.1005","","","0.2136","0.2251","","","","","","1.155","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707378","12.23","0.002","15.611","0.003","14.194","0.003","90","","104.02","0.03","90","","2629.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Be2 Br2 N4 O -","- C54 H72 Be2 Br2 N4 O -","- C108 H144 Be4 Br4 N8 O2 -","2","0.5","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.7109","Synchrotron","","0.0387","0.0354","","","0.0908","0.093","","","","","","1.054","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707379","12.3646","0.0003","15.0264","0.0003","14.3792","0.0003","90","","105.191","0.002","90","","2578.24","0.1","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H37 Be Br N2 -","- C27 H37 Be Br N2 -","- C108 H148 Be4 Br4 N8 -","4","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","neutron","0.85","neutron","","0.0457","0.0457","","0.0489","0.0489","0.0489","","","","","","1.4924","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707380","10.4186","0.0002","10.7922","0.0002","15.6804","0.0003","78.741","0.002","83.467","0.002","70.283","0.002","1625.59","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Be I2 P2 -","- C37 H30 Be I2 P2 -","- C74 H60 Be2 I4 P4 -","2","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.057","0.0471","","","0.1257","0.132","","","","","","1.082","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707381","12.36","0.003","14.99","0.003","14.39","0.003","90","","105.21","0.03","90","","2572.7","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Be2 Br2 N4 -","- C54 H74 Be2 Br2 N4 -","- C108 H148 Be4 Br4 N8 -","2","0.5","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.7109","Synchrotron","","0.0467","0.0439","","","0.1004","0.1019","","","","","","1.05","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707382","10.4103","0.0004","17.6415","0.0006","15.9511","0.0004","90","","99.948","0.003","90","","2885.43","0.17","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 Be I2 N2 -","- C27 H36 Be I2 N2 -","- C108 H144 Be4 I8 N8 -","4","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0423","0.0304","","","0.0624","0.0665","","","","","","1.044","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707383","12.2007","0.0004","14.1881","0.0004","17.9562","0.0005","90","","90","","90","","3108.3","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H44 Be N2 -","- C37 H44 Be N2 -","- C148 H176 Be4 N8 -","4","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0429","0.0378","","","0.0926","0.0952","","","","","","1.021","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707384","18.2629","0.0006","7.195","0.0003","12.0467","0.0004","90","","90","","90","","1582.96","0.1","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 In N O5 -","- C8 H6 In N O5 -","- C32 H24 In4 N4 O20 -","4","0.25","","Jiang, Xin; Fan, Ruiqing; Zhou, Xuesong; Zhu, Ke; Sun, Tiancheng; Zheng, Xubin; Xing, Kai; Chen, Wei; Yang, Yulin","Mixed functionalization strategy on indium-organic framework for multiple ion detection and H<sub>2</sub>O<sub>2</sub> turn-on sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7554","7562","10.1039/d1dt00889g","","","0.71073","MoKα","","0.0605","0.0501","","","0.1362","0.1444","","","","","","1.167","","","","has coordinates,has disorder","267152","2021-07-05","17:32:05",""
"7707385","8.2596","0.0005","9.9708","0.0006","15.6266","0.0009","96.284","0.004","99.271","0.004","110.636","0.004","1169.21","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cl4 N4 O8 Zn -","- C46 H48 Cl4 N4 O8 Zn -","- C46 H48 Cl4 N4 O8 Zn -","1","0.5","","Dissem, Nour; Essalhi, Mohamed; Ferhi, Najmeddine; Abidi, Adela; Maris, Thierry; Duong, Adam","Flexible and porous 2D layered structures based on mixed-linker metal-organic frameworks for gas sorption studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8727","8735","10.1039/d1dt00426c","","x-ray","1.54178","CuKα","","0.0581","0.0534","","","0.1368","0.1405","","","","","","1.065","","","","has coordinates","267178","2021-07-05","17:38:51",""
"7707386","8.0935","0.0008","10.0336","0.0009","15.658","0.0012","96.03","0.005","98.336","0.005","109.647","0.005","1168.61","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 Cl4 Cu N4 O8 -","- C46 H48 Cl4 Cu N4 O8 -","- C46 H48 Cl4 Cu N4 O8 -","1","0.5","","Dissem, Nour; Essalhi, Mohamed; Ferhi, Najmeddine; Abidi, Adela; Maris, Thierry; Duong, Adam","Flexible and porous 2D layered structures based on mixed-linker metal-organic frameworks for gas sorption studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8727","8735","10.1039/d1dt00426c","","","1.54178","CuKα","","0.0731","0.0611","","","0.1687","0.1794","","","","","","1.056","","","","has coordinates,has disorder","267178","2021-07-05","17:38:51",""
"7707387","8.1297","0.0017","10.1868","0.0019","15.619","0.003","94.957","0.013","99.778","0.013","110.086","0.013","1182.4","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 N6 O10 Zn -","- C50 H58 N6 O10 Zn -","- C50 H58 N6 O10 Zn -","1","0.5","","Dissem, Nour; Essalhi, Mohamed; Ferhi, Najmeddine; Abidi, Adela; Maris, Thierry; Duong, Adam","Flexible and porous 2D layered structures based on mixed-linker metal-organic frameworks for gas sorption studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8727","8735","10.1039/d1dt00426c","","x-ray","1.54178","CuKα","","0.0569","0.0512","","","0.1387","0.1445","","","","","","1.053","","","","has coordinates","267178","2021-07-05","17:38:52",""
"7707388","8.2782","0.0005","10.0936","0.0006","15.691","0.0009","95.712","0.002","99.174","0.002","111.463","0.002","1186.65","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 O8 Zn -","- C44 H44 N4 O8 Zn -","- C44 H44 N4 O8 Zn -","1","0.5","","Dissem, Nour; Essalhi, Mohamed; Ferhi, Najmeddine; Abidi, Adela; Maris, Thierry; Duong, Adam","Flexible and porous 2D layered structures based on mixed-linker metal-organic frameworks for gas sorption studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8727","8735","10.1039/d1dt00426c","","x-ray","1.54178","CuKα","","0.0382","0.037","","","0.1017","0.1027","","","","","","1.05","","","","has coordinates","267178","2021-07-05","17:38:52",""
"7707389","8.0072","0.0003","10.2227","0.0003","15.6669","0.0005","95.11","0.001","98.69","0.001","109.43","0.001","1182.07","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H58 Cu N6 O10 -","- C50 H58 Cu N6 O10 -","- C50 H58 Cu N6 O10 -","1","0.5","","Dissem, Nour; Essalhi, Mohamed; Ferhi, Najmeddine; Abidi, Adela; Maris, Thierry; Duong, Adam","Flexible and porous 2D layered structures based on mixed-linker metal-organic frameworks for gas sorption studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8727","8735","10.1039/d1dt00426c","","x-ray","1.54178","CuKα","","0.0344","0.0333","","","0.0834","0.0875","","","","","","1.064","","","","has coordinates","267178","2021-07-05","17:38:52",""
"7707390","7.5883","0.0004","9.4777","0.0005","16.8623","0.001","81.516","0.002","80.992","0.002","72.616","0.002","1136.51","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Cu N4 O8 -","- C44 H44 Cu N4 O8 -","- C44 H44 Cu N4 O8 -","1","0.5","","Dissem, Nour; Essalhi, Mohamed; Ferhi, Najmeddine; Abidi, Adela; Maris, Thierry; Duong, Adam","Flexible and porous 2D layered structures based on mixed-linker metal-organic frameworks for gas sorption studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8727","8735","10.1039/d1dt00426c","","x-ray","1.54178","CuKα","","0.0343","0.0333","","","0.0923","0.0938","","","","","","1.047","","","","has coordinates","267178","2021-07-05","17:38:52",""
"7707391","19.0304","0.0002","24.9486","0.0003","22.2887","0.0002","90","","90","","90","","10582.3","0.19","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C50 H56 B Dy F18 O6.5 -","- C50 H56 B Dy F18 O6.5 -","- C400 H448 B8 Dy8 F144 O52 -","8","1","","Long, Jérôme; Tolpygin, Aleksei O.; Lyubov, Dmitry M.; Rad'kova, Natalia Yu; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","High magnetization reversal barriers in luminescent dysprosium octahedral and pentagonal bipyramidal single-molecule magnets based on fluorinated alkoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8487","8496","10.1039/d1dt01319j","","","0.71073","MoKα","","0.0707","0.0438","","","0.0987","0.1036","","","","","","1.01","","","","has coordinates,has disorder","267142","2021-07-05","17:28:25",""
"7707392","18.8988","0.0003","17.632","0.0003","38.9502","0.0006","90","","95.056","0.002","90","","12928.6","0.4","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H84 B Dy F10 O9 -","- C68 H84 B Dy F10 O9 -","- C544 H672 B8 Dy8 F80 O72 -","8","1","","Long, Jérôme; Tolpygin, Aleksei O.; Lyubov, Dmitry M.; Rad'kova, Natalia Yu; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","High magnetization reversal barriers in luminescent dysprosium octahedral and pentagonal bipyramidal single-molecule magnets based on fluorinated alkoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8487","8496","10.1039/d1dt01319j","","","0.71073","MoKα","","0.0596","0.0466","","","0.1073","0.114","","","","","","1.067","","","","has coordinates,has disorder","267142","2021-07-05","17:28:26",""
"7707393","12.9539","0.0013","24.207","0.002","23.41","0.002","90","","92.82","0.002","90","","7331.9","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H79 B Dy F18 O9.5 -","- C78 H79 B Dy F18 O9.5 -","- C312 H316 B4 Dy4 F72 O38 -","4","1","","Long, Jérôme; Tolpygin, Aleksei O.; Lyubov, Dmitry M.; Rad'kova, Natalia Yu; Cherkasov, Anton V.; Nelyubina, Yulia V.; Guari, Yannick; Larionova, Joulia; Trifonov, Alexander A.","High magnetization reversal barriers in luminescent dysprosium octahedral and pentagonal bipyramidal single-molecule magnets based on fluorinated alkoxide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8487","8496","10.1039/d1dt01319j","","","0.71073","MoKα","","0.1327","0.0611","","","0.1226","0.1574","","","","","","1.01","","","","has coordinates,has disorder","267142","2021-07-05","17:28:26",""
"7707394","11.6558","0.0011","12.3631","0.0009","13.9426","0.0009","71.247","0.006","78.54","0.007","82.261","0.007","1859.1","0.3","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 Cl2 Mn2 N12 O11 -","- C74 H88 Cl2 Mn2 N12 O11 -","- C74 H88 Cl2 Mn2 N12 O11 -","1","0.5","","Paul, Ganesh Chandra; Sarkar, Prasenjit; Sarmah, Amrit; Shaw, Prantick; Maity, Suvendu; Mukherjee, Chandan","A combined experimental and theoretical study on a single, unsupported oxo-bridged Mn(III,III) dimer coordinated to two iminobenzosemiquinone π-radical anions.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8768","8775","10.1039/d1dt00489a","","x-ray","0.71073","MoKα","","0.0577","0.0422","","","0.0882","0.0979","","","","","","1.053","","","","has coordinates,has disorder","267174","2021-07-05","17:37:56",""
"7707395","8.4561","0.0008","13.7954","0.0014","10.188","0.0011","90","","90.872","0.003","90","","1188.3","0.2","273","2","273.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C8 H30 N2 O16 P4 Zn2 -","- C8 H30 N2 O16 P4 Zn2 -","- C16 H60 N4 O32 P8 Zn4 -","2","1","","Yu, Jing-Wei; Yu, Hai-Jiao; Ren, Qiu; Zhang, Jin; Zou, Yang; Luo, Hong-Bin; Wang, Lifeng; Ren, Xiao-Ming","Humidity-sensitive irreversible phase transformation of open-framework zinc phosphate and its water-assisted high proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8070","8075","10.1039/d1dt00296a","","","0.71073","MoKα","","0.0478","0.0468","","","0.1199","0.1206","","","","","","1.057","","","","has coordinates","267193","2021-07-05","17:43:54",""
"7707396","15.987","0.014","9.949","0.008","15.258","0.008","90","","90","","90","","2427","3","301","2","301.01","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H22 N2 O16 P4 Zn2 -","- C8 H21.96 N2 O16 P4 Zn2 -","- C32 H87.84 N8 O64 P16 Zn8 -","4","0.25","","Yu, Jing-Wei; Yu, Hai-Jiao; Ren, Qiu; Zhang, Jin; Zou, Yang; Luo, Hong-Bin; Wang, Lifeng; Ren, Xiao-Ming","Humidity-sensitive irreversible phase transformation of open-framework zinc phosphate and its water-assisted high proton conduction properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8070","8075","10.1039/d1dt00296a","","","0.71073","MoKα","","0.0321","0.0309","","","0.0884","0.0896","","","","","","1.186","","","","has coordinates,has disorder","267193","2021-07-05","17:43:55",""
"7707397","11.6635","0.0011","12.2558","0.0012","14.2597","0.0015","86.615","0.008","80.055","0.009","74.102","0.008","1930.8","0.3","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Cl2 Fe N10 O9 S3 -","- C32 H26 Cl2 Fe N10 O9 S3 -","- C64 H52 Cl4 Fe2 N20 O18 S6 -","2","1","","Török, Patrik; Unjaroen, Duenpen; Viktória Csendes, Flóra; Giorgi, Michel; Browne, Wesley R.; Kaizer, József","A nonheme peroxo-diiron(III) complex exhibiting both nucleophilic and electrophilic oxidation of organic substrates.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7181","7185","10.1039/d1dt01502h","","x-ray","1.54184","CuKα","","0.1404","0.0867","","","0.1993","0.2325","","","","","","1.055","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7707398","10.5553","0.0003","11.5145","0.0003","12.9195","0.0003","78.837","0.001","78.265","0.001","67.511","0.001","1408.8","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- H16 I8 Mo6 N2 O15 -","- H16 I8 Mo6 N2 O15 -","- H32 I16 Mo12 N4 O30 -","2","1","","Marchuk, Margarita V.; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Kuratieva, Natalia V.; Stass, Dmitri V.; Shestopalov, Michael A.","Optical property trends in a family of {Mo<sub>6</sub>I<sub>8</sub>} aquahydroxo complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8794","8802","10.1039/d1dt01293b","","x-ray","0.71073","MoKα","","0.0211","0.0185","","","0.0466","0.0478","","","","","","1.026","","","","has coordinates","267177","2021-07-05","17:38:40",""
"7707399","9.4284","0.0009","9.7991","0.001","10.0079","0.001","73.929","0.004","67.566","0.004","88.598","0.004","817.81","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- H32 I8 Mo6 O18 -","- I8 Mo6 O18 -","- I8 Mo6 O18 -","1","0.5","","Marchuk, Margarita V.; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Kuratieva, Natalia V.; Stass, Dmitri V.; Shestopalov, Michael A.","Optical property trends in a family of {Mo<sub>6</sub>I<sub>8</sub>} aquahydroxo complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8794","8802","10.1039/d1dt01293b","","x-ray","0.71073","MoKα","","0.0504","0.0357","","","0.0645","0.0692","","","","","","1.018","","","","has coordinates,has disorder","267177","2021-07-05","17:38:40",""
"7707400","9.4471","0.001","9.4592","0.001","11.5036","0.0013","77.3","0.003","79.348","0.003","73.852","0.003","954.84","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 I8 Mo6 O14 S2 -","- C14 H14 I8 Mo6 O14 S2 -","- C14 H14 I8 Mo6 O14 S2 -","1","0.5","","Marchuk, Margarita V.; Vorotnikova, Natalya A.; Vorotnikov, Yuri A.; Kuratieva, Natalia V.; Stass, Dmitri V.; Shestopalov, Michael A.","Optical property trends in a family of {Mo<sub>6</sub>I<sub>8</sub>} aquahydroxo complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8794","8802","10.1039/d1dt01293b","","x-ray","0.71073","MoKα","","0.068","0.0634","","","0.1967","0.201","","","","","","1.063","","","","has coordinates,has disorder","267177","2021-07-05","17:38:40",""
"7707401","12.1625","0.0012","25.39","0.003","13.6983","0.0014","90","","101.029","0.002","90","","4152","0.8","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 F12 Ir N8 P -","- C40 H26 F12 Ir N8 P -","- C160 H104 F48 Ir4 N32 P4 -","4","1","","Yu, Renyou; Song, Yongjun; Chen, Mengzhen; He, Lei","Green to blue-green-emitting cationic iridium complexes with a CF<sub>3</sub>-substituted phenyl-triazole type cyclometalating ligand: synthesis, characterization and their use for efficient light-emitting electrochemical cells.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8084","8095","10.1039/d1dt01320c","","","0.71073","MoKα","","0.0698","0.0388","","","0.0907","0.1032","","","","","","1.037","","","","has coordinates,has disorder","267190","2021-07-05","17:43:01",""
"7707402","11.2505","0.0005","14.1291","0.0005","15.8551","0.0007","75.743","0.004","75.712","0.004","70.891","0.004","2269.78","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H75 O P2 U -","- C44 H75 O P2 U -","- C88 H150 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0361","0.0326","","","0.0781","0.0803","","","","","","1.032","","","","has coordinates","267146","2021-07-05","17:29:57",""
"7707403","11.247","0.0004","13.893","0.0006","15.3588","0.0008","77.525","0.004","76.193","0.004","75.636","0.004","2226.1","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H74 O P2 U -","- C44 H74 O P2 U -","- C88 H148 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0398","0.0363","","","0.0875","0.0906","","","","","","1.04","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707404","10.3013","0.0001","11.9655","0.0002","29.1545","0.0004","90","","90.581","0.001","90","","3593.4","0.09","100.02","0.1","100.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H51 Cl O P U -","- C29 H51 Cl O P U -","- C116 H204 Cl4 O4 P4 U4 -","4","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0298","0.0284","","","0.0717","0.0729","","","","","","1.045","","","","has coordinates,has disorder","267146","2021-07-05","17:29:58",""
"7707405","12.5859","0.0004","13.4822","0.0004","17.7155","0.0005","88.637","0.002","88.144","0.003","66.662","0.003","2758.48","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H87 N O P2 U -","- C58 H87 N O P2 U -","- C116 H174 N2 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0357","0.0345","","","0.0905","0.0918","","","","","","1.042","","","","has coordinates,has disorder","267146","2021-07-05","17:29:58",""
"7707406","12.3468","0.0003","14.2113","0.0003","22.6534","0.0004","90","","95.035","0.002","90","","3959.52","0.15","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H57 Cl O P U -","- C44 H57 Cl O P U -","- C176 H228 Cl4 O4 P4 U4 -","4","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0559","0.0387","","","0.0814","0.0887","","","","","","1.008","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707407","11.6669","0.0003","15.2663","0.0003","15.5146","0.0002","91.555","0.001","101.178","0.002","105.644","0.002","2601.23","0.1","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H79 N O P2 U -","- C51 H79 N O P2 U -","- C102 H158 N2 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0215","0.0209","","","0.0515","0.0518","","","","","","1.033","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707408","11.6056","0.0004","15.4804","0.0004","15.8055","0.0004","92.421","0.002","101.441","0.003","106.28","0.003","2657.1","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H85 N O P2 U -","- C51 H85 N O P2 U -","- C102 H170 N2 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0457","0.0418","","","0.0994","0.1027","","","","","","1.03","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707409","11.2617","0.0003","12.8896","0.0003","20.1027","0.0005","101.398","0.002","105.08","0.002","93.693","0.002","2741.27","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H85 N O P2 U -","- C58 H85 N O P2 U -","- C116 H170 N2 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0306","0.0293","","","0.0763","0.0777","","","","","","1.046","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707410","19.9402","0.0003","11.2013","0.0002","31.8356","0.0004","90","","104.182","0.001","90","","6893.96","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H104 N4 O2 P4 U -","- C62 H104 N4 O2 P4 U -","- C248 H416 N16 O8 P16 U4 -","4","0.5","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0269","0.0256","","","0.0615","0.0623","","","","","","1.056","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707411","11.3562","0.0007","13.6804","0.0007","17.5534","0.0009","71.805","0.005","79.054","0.005","89.35","0.004","2540.2","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H83 N O P2 U -","- C49 H83 N O P2 U -","- C98 H166 N2 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0278","0.0272","","","0.0699","0.0704","","","","","","1.04","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707412","10.9937","0.0001","27.2685","0.0002","15.1248","0.0001","90","","90.184","0.001","90","","4534.12","0.06","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 N O P2 U -","- C44 H74 N O P2 U -","- C176 H296 N4 O4 P8 U4 -","4","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0248","0.0242","","","0.0613","0.0617","","","","","","1.113","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707413","10.5459","0.0003","16.111","0.0005","17.2548","0.0003","97.179","0.002","100.999","0.002","104.742","0.003","2736.2","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H84 N2 O P2 U -","- C58 H84 N2 O P2 U -","- C116 H168 N4 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0505","0.0457","","","0.1151","0.1208","","","","","","1.031","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707414","11.7517","0.0003","13.6494","0.0003","18.3973","0.0004","102.128","0.002","96.594","0.002","108.988","0.002","2674.04","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C51 H85 N O P2 U -","- C51 H85 N O P2 U -","- C102 H170 N2 O2 P4 U2 -","2","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0268","0.0254","","","0.0603","0.0614","","","","","","1.023","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707415","15.5525","0.0002","16.8123","0.0002","21.0005","0.0002","90","","106.735","0.001","90","","5258.51","0.11","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H83 N O P2 U -","- C53 H83 N O P2 U -","- C212 H332 N4 O4 P8 U4 -","4","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0319","0.0303","","","0.0789","0.0803","","","","","","1.062","","","","has coordinates,has disorder","267146","2021-07-05","17:29:58",""
"7707416","15.2799","0.0003","13.7684","0.0002","25.9808","0.0004","90","","100.722","0.002","90","","5370.41","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H74 O P2 S2 U -","- C45 H74 O P2 S2 U -","- C180 H296 O4 P8 S8 U4 -","4","1","","Wang, Deqiang; Wang, Shichun; Li, Tongyu; Heng, Yi; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Reactivity studies involving a Lewis base supported terminal uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>C)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U([double bond, length as m-dash]P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8349","8363","10.1039/d1dt00742d","","x-ray","1.54184","CuKα","","0.0333","0.0306","","","0.0731","0.0747","","","","","","1.06","","","","has coordinates","267146","2021-07-05","17:29:58",""
"7707417","29.938","0.0007","18.6991","0.0004","13.9399","0.0003","90","","90","","90","","7803.7","0.3","153","","153","","","","","","","","","6","F d d 2","F 2 -2d","43","","2,2'-((2-bromophenyl)(methoxy)methylene)bis(benzo[d]thiazole)","","- C22 H15 Br N2 O S2 -","- C22 H15 Br N2 O S2 -","- C352 H240 Br16 N32 O16 S32 -","16","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0406","0.0389","","","0.1011","0.1022","","","","","","1.051","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707418","8.9561","0.0002","10.6585","0.0002","11.9387","0.0002","102.16","0.001","92.451","0.002","106.506","0.002","1061.75","0.04","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H15 Bi Cl2 N2 O S2 -","- C22 H15 Bi Cl2 N2 O S2 -","- C44 H30 Bi2 Cl4 N4 O2 S4 -","2","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0169","0.0163","","","0.0401","0.0404","","","","","","1.022","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707419","11.1267","0.0006","14.9545","0.0009","15.4839","0.0009","90","","92.486","0.001","90","","2574","0.3","153.15","","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Bi Br4 N2 O S2 -","- C22 H15 Bi Br4 N2 O S2 -","- C88 H60 Bi4 Br16 N8 O4 S8 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71069","MoKα","","0.0267","0.0219","","","0.0473","0.0485","","","","","","1.043","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707420","12.3209","0.0003","13.317","0.0003","14.6867","0.0003","110.088","0.002","104.112","0.002","107.625","0.002","1987.42","0.1","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H30 Bi Cl N4 O2 S4 -","- C44 H30 Bi Cl N4 O2 S4 -","- C88 H60 Bi2 Cl2 N8 O4 S8 -","2","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0382","0.035","","","0.0768","0.0781","","","","","","1.066","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707421","12.0405","0.0004","18.2862","0.0008","12.2047","0.0004","90","","101.387","0.003","90","","2634.28","0.17","153","","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Bi Cl2 N2 O2 S2 -","- C26 H23 Bi Cl2 N2 O2 S2 -","- C104 H92 Bi4 Cl8 N8 O8 S8 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0497","0.0435","","","0.0957","0.0982","","","","","","1.177","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707422","13.7303","0.0006","8.2843","0.0004","15.1051","0.0007","90","","95.425","0.004","90","","1710.45","0.14","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzo[d]thiazol-2-yl(2-(benzo[d]thiazol-2-yl)phenyl)methanol","","- C21 H14 N2 O S2 -","- C21 H14 N2 O S2 -","- C84 H56 N8 O4 S8 -","4","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0821","0.0658","","","0.1184","0.124","","","","","","1.166","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707423","8.8807","0.0002","9.9946","0.0002","15.0274","0.0003","87.839","0.002","85.579","0.002","69.106","0.002","1242.33","0.05","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 Bi Cl2 N2 O2 S2 -","- C25 H21 Bi Cl2 N2 O2 S2 -","- C50 H42 Bi2 Cl4 N4 O4 S4 -","2","1","","Shimada, Shigeru; Yin, Shuang-Feng; Bao, Ming","A new C-anionic tripodal ligand 2-{bis(benzothiazolyl)(methoxy)methyl}phenyl and its bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7949","7954","10.1039/d1dt01071a","","x-ray","0.71073","MoKα","","0.0292","0.0273","","","0.0604","0.0613","","","","","","1.029","","","","has coordinates","267199","2021-07-05","17:45:04",""
"7707424","16.1575","0.0003","22.6823","0.0004","13.9296","0.0003","90","","90","","90","","5105.05","0.17","294","2","294","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","Chloro- (η^5^-pentamethylcyclopentadienyl)(4,4'-dimethyl-2,2'-bipyridine )- rhodium(III)- trifluoromethanesulfonate'","","- C23 H27 Cl F3 N2 O3 Rh S -","- C23 H27 Cl F3 N2 O3 Rh S -","- C184 H216 Cl8 F24 N16 O24 Rh8 S8 -","8","1","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","1.54187","CuKα","","0.0604","0.0581","","","0.1092","0.1098","","","","","","1.381","","","","has coordinates","267188","2021-07-05","17:42:41",""
"7707425","8.0457","0.0009","12.5861","0.0014","21.869","0.002","90","","90.33","0.006","90","","2214.5","0.4","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chloro-(η6-toluene)-(4,4'-dimethyl-2,2'-bipyridine )- rutenium(II) trifluoromethanesulfonate '","","- C20 H20 Cl F3 N2 O3 Ru S -","- C20 H20 Cl F3 N2 O3 Ru S -","- C80 H80 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","1.54187","CuKα","","0.0565","0.0524","","","0.1076","0.1095","","","","","","1.186","","","","has coordinates","267188","2021-07-05","17:42:41",""
"7707426","8.1852","0.0008","12.2115","0.0011","26.231","0.003","95.586","0.007","95.655","0.007","102.341","0.007","2529.9","0.5","128","2","128","2","","","","","","","","8","P -1","-P 1","2","","Chloro-(η5-pentamethylcyclopentadienyl)-( 2,9-dimethyl-1,10-phenanthroline)- rhodium(III) trifluoromethanesulfonate '","","- C25 H27 Cl F3 N2 O3 Rh S -","- C25 H27 Cl F3 N2 O3 Rh S -","- C100 H108 Cl4 F12 N8 O12 Rh4 S4 -","4","2","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","0.71073","MoKα","","0.1103","0.0854","","","0.232","0.2431","","","","","","1.16","","","","has coordinates","267188","2021-07-05","17:42:41",""
"7707427","8.0253","0.0003","10.9947","0.0004","29.1638","0.0011","90","","94.356","0.007","90","","2565.86","0.17","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chloro-(-(η6- 1-Methyl-4-(propan-2-yl)benzene)-( 2,9-dimethyl-1,10-phenanthroline )- rutenium(II) trifluoromethanesulfonate","","- C25 H26 Cl F3 N2 O3 Ru S -","- C25 H26 Cl F3 N2 O3 Ru S -","- C100 H104 Cl4 F12 N8 O12 Ru4 S4 -","4","1","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","0.71075","MoKα","","0.0876","0.0581","","","0.1364","0.1492","","","","","","1.13","","","","has coordinates","267188","2021-07-05","17:42:41",""
"7707428","13.1264","0.001","19.0317","0.0011","17.1384","0.001","90","","96.644","0.007","90","","4252.7","0.5","126","2","126","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris-(4,4'-dimethyl-2,2'-bipyridine )- rutenium(II) bis(trifluoromethanesulfonate) dihydrate'","","- C38 H40 F6 N6 O8 Ru S2 -","- C38 H40 F6 N6 O8 Ru S2 -","- C152 H160 F24 N24 O32 Ru4 S8 -","4","1","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","1.54187","CuKα","","0.1485","0.096","","","0.1987","0.2322","","","","","","1.063","","","","has coordinates,has disorder","267188","2021-07-05","17:42:41",""
"7707429","11.2258","0.0005","12.7669","0.0006","16.5508","0.0008","90","","108.267","0.008","90","","2252.5","0.2","126","2","126","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chloro-(η6-toluene)-( 2,9-dimethyl-1,10-phenanthroline )- rutenium(II) chloride dimethanol solvate'","","- C23 H28 Cl2 N2 O2 Ru -","- C23 H28 Cl2 N2 O2 Ru -","- C92 H112 Cl8 N8 O8 Ru4 -","4","1","","Mészáros, János P; Pape, Veronika F. S.; Szakács, Gergely; Németi, Gábor; Dénes, Márk; Holczbauer, Tamás; May, Nóra V; Enyedy, Éva A","Half-sandwich organometallic Ru and Rh complexes of (N,N) donor compounds: effect of ligand methylation on solution speciation and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8218","8231","10.1039/d1dt00808k","","","0.71073","MoKα","","0.0642","0.0478","","","0.0841","0.0889","","","","","","1.139","","","","has coordinates,has disorder","267188","2021-07-05","17:42:41",""
"7707430","11.658","0.003","9.739","0.003","14.049","0.004","90","","111.12","0.003","90","","1487.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CoPS","","","- C30 H42 Co P2 S2 -","- C30 H42 Co P2 S2 -","- C60 H84 Co2 P4 S4 -","2","0.5","","Orchanian, Nicholas M.; Hong, Lorena E.; Velazquez, David A.; Marinescu, Smaranda C.","Electrocatalytic syngas generation with a redox non-innocent cobalt 2-phosphinobenzenethiolate complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10779","10788","10.1039/d0dt03270k","","","0.71073","MoKα","","0.0238","0.0208","","","0.052","0.0538","","","","","","1.015","","","","has coordinates","268794","2021-09-06","11:22:35",""
"7707431","14.737","0.005","8.456","0.003","21.277","0.007","90","","90.798","0.005","90","","2651.2","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Co K P2 S2 -","- C24 H36 Co K P2 S2 -","- C96 H144 Co4 K4 P8 S8 -","4","1","","Orchanian, Nicholas M.; Hong, Lorena E.; Velazquez, David A.; Marinescu, Smaranda C.","Electrocatalytic syngas generation with a redox non-innocent cobalt 2-phosphinobenzenethiolate complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10779","10788","10.1039/d0dt03270k","","","0.71073","MoKα","","0.0469","0.0333","","","0.0756","0.0806","","","","","","1.033","","","","has coordinates,has disorder","268794","2021-09-06","11:22:36",""
"7707432","15.8093","0.0012","14.4288","0.0011","19.8831","0.0015","90","","111.16","0.0009","90","","4229.7","0.6","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H86 Fe2 K2 N8 O8 P6 -","- C84 H86 Fe2 K2 N8 O8 P6 -","- C168 H172 Fe4 K4 N16 O16 P12 -","2","0.5","","Lee, Justin L.; Oswald, Victoria F.; Biswas, Saborni; Hill, Ethan A.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8111","8119","10.1039/d1dt01021b","","","0.71073","MoKα","","0.0342","0.0294","","","0.0786","0.0813","","","","","","1.063","","","","has coordinates","267205","2021-07-05","17:46:29",""
"7707433","14.8537","0.0013","17.1335","0.0015","21.4044","0.0019","90.905","0.0015","91.3032","0.0014","98.1532","0.0014","5389.9","0.8","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H64 Cu F3 Fe N7 O7 P3 S -","- C52 H64 Cu F3 Fe N7 O7 P3 S -","- C208 H256 Cu4 F12 Fe4 N28 O28 P12 S4 -","4","2","","Lee, Justin L.; Oswald, Victoria F.; Biswas, Saborni; Hill, Ethan A.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8111","8119","10.1039/d1dt01021b","","","0.71073","MoKα","","0.0484","0.0355","","","0.0843","0.0899","","","","","","1.026","","","","has coordinates,has disorder","267205","2021-07-05","17:46:30",""
"7707434","14.8745","0.0007","17.1815","0.0008","21.4499","0.001","89.3968","0.0008","89.9334","0.0008","81.8418","0.0008","5426.1","0.4","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C52 H64 F3 Fe N7 O7 P3 S Zn -","- C52 H64 F3 Fe N7 O7 P3 S Zn -","- C208 H256 F12 Fe4 N28 O28 P12 S4 Zn4 -","4","2","","Lee, Justin L.; Oswald, Victoria F.; Biswas, Saborni; Hill, Ethan A.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8111","8119","10.1039/d1dt01021b","","","0.71073","MoKα","","0.075","0.0504","","","0.1029","0.1138","","","","","","1.016","","","","has coordinates,has disorder","267205","2021-07-05","17:46:30",""
"7707435","21.391","0.0009","17.3399","0.0008","29.1742","0.0013","90","","90","","90","","10821.2","0.8","93","2","93","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C52 H64 F3 Fe N7 Ni O7 P3 S -","- C52 H64 F3 Fe N7 Ni O7 P3 S -","- C416 H512 F24 Fe8 N56 Ni8 O56 P24 S8 -","8","2","","Lee, Justin L.; Oswald, Victoria F.; Biswas, Saborni; Hill, Ethan A.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A. S.","Stepwise assembly of heterobimetallic complexes: synthesis, structure, and physical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8111","8119","10.1039/d1dt01021b","","","0.71073","MoKα","","0.0858","0.0532","","","0.0877","0.0988","","","","","","1.01","","","","has coordinates,has disorder","267205","2021-07-05","17:46:30",""
"7707436","9.2718","0.0013","9.9377","0.0013","13.4848","0.0019","92.121","0.003","98.182","0.004","98.858","0.003","1213","0.3","301","2","300.77","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cd Cl N2 O2 -","- C28 H21 Cd Cl N2 O2 -","- C56 H42 Cd2 Cl2 N4 O4 -","2","1","","Xu, Yong-Kai; Meng, Mei-Mei; Xi, Ji-Ming; Wang, Li-Fei; Zhu, Rui; Liu, Xing-Gui; Zhang, Rui; Dong, Wei; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Mixed matrix membranes containing fluorescent coordination polymers for detecting Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> with high sensitivity, stability and recyclability.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7944","7948","10.1039/d1dt00894c","","","0.71073","MoKα","","0.0665","0.0414","","","0.0705","0.0757","","","","","","1.026","","","","has coordinates","267186","2021-07-05","17:42:15",""
"7707437","15.2095","0.0004","6.0527","0.0002","19.0567","0.0006","90","","102.175","0.001","90","","1714.87","0.09","296","2","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H42 Cd N4 O7 -","- C38 H42 Cd N4 O7 -","- C76 H84 Cd2 N8 O14 -","2","0.5","","Xu, Yong-Kai; Meng, Mei-Mei; Xi, Ji-Ming; Wang, Li-Fei; Zhu, Rui; Liu, Xing-Gui; Zhang, Rui; Dong, Wei; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Mixed matrix membranes containing fluorescent coordination polymers for detecting Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> with high sensitivity, stability and recyclability.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7944","7948","10.1039/d1dt00894c","","","0.71073","MoKα","","0.0319","0.0272","","","0.0572","0.0587","","","","","","1.05","","","","has coordinates","267186","2021-07-05","17:42:15",""
"7707438","58.626","0.002","20.813","0.004","8.986","0.003","90","","91.397","0.005","90","","10961","4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H48 Cd N4 O7 -","- C56 H48 Cd N4 O7 -","- C448 H384 Cd8 N32 O56 -","8","1","","Xu, Yong-Kai; Meng, Mei-Mei; Xi, Ji-Ming; Wang, Li-Fei; Zhu, Rui; Liu, Xing-Gui; Zhang, Rui; Dong, Wei; Lu, Zhen-Zhong; Zheng, He-Gen; Huang, Wei","Mixed matrix membranes containing fluorescent coordination polymers for detecting Cr<sub>2</sub>O<sub>7</sub><sup>2-</sup> with high sensitivity, stability and recyclability.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7944","7948","10.1039/d1dt00894c","","","0.71073","MoKα","","0.0724","0.0398","","","0.0927","0.0972","","","","","","1.025","","","","has coordinates,has disorder","267186","2021-07-05","17:42:15",""
"7707439","11.8485","0.0017","14.0394","0.0019","23.466","0.004","90","","98.906","0.004","90","","3856.4","1","300","","300.35","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Br2 F6 Mn O2 P2 -","- C38 H28 Br2 F6 Mn O2 P2 -","- C152 H112 Br8 F24 Mn4 O8 P8 -","4","1","","Huang, Xiaomeng; Qin, Yanyan; She, Pengfei; Meng, Haixing; Liu, Shujuan; Zhao, Qiang","Functionalized triphenylphosphine oxide-based manganese(II) complexes for luminescent printing.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8831","8836","10.1039/d1dt00914a","","","0.71073","MoKα","","0.0952","0.054","","","0.1136","0.1394","","","","","","1.1167","","","","has coordinates","267184","2021-07-05","17:40:59",""
"7707440","18.152","0.005","11.553","0.003","18.905","0.005","90","","109.307","0.007","90","","3741.6","1.7","300","","301.27","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Br2 Mn O4 P2 -","- C38 H34 Br2 Mn O4 P2 -","- C152 H136 Br8 Mn4 O16 P8 -","4","1","","Huang, Xiaomeng; Qin, Yanyan; She, Pengfei; Meng, Haixing; Liu, Shujuan; Zhao, Qiang","Functionalized triphenylphosphine oxide-based manganese(II) complexes for luminescent printing.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8831","8836","10.1039/d1dt00914a","","","0.71073","MoKα","","0.0989","0.0506","","","0.1131","0.1316","","","","","","1.003","","","","has coordinates","267184","2021-07-05","17:40:59",""
"7707441","16.8598","0.0017","12.7324","0.0013","18.1108","0.0016","90","","93.791","0.003","90","","3879.3","0.7","299","","299.24","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br2 Mn N2 O2 P2 -","- C40 H40 Br2 Mn N2 O2 P2 -","- C160 H160 Br8 Mn4 N8 O8 P8 -","4","1","","Huang, Xiaomeng; Qin, Yanyan; She, Pengfei; Meng, Haixing; Liu, Shujuan; Zhao, Qiang","Functionalized triphenylphosphine oxide-based manganese(II) complexes for luminescent printing.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8831","8836","10.1039/d1dt00914a","","","0.71073","MoKα","","0.0833","0.0406","","","0.0859","0.1","","","","","","1.011","","","","has coordinates","267184","2021-07-05","17:40:59",""
"7707442","10.6007","0.0005","23.2714","0.001","11.2065","0.0005","90","","115.901","0.001","90","","2486.87","0.19","200","","199.98","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Au F6 N2 O2 P S2 -","- C21 H24 Au F6 N2 O2 P S2 -","- C84 H96 Au4 F24 N8 O8 P4 S8 -","4","1","","Pettenuzzo, Andrea; Vezzù, Keti; Di Paolo, Maria Luisa; Fotopoulou, Eirini; Marchiò, Luciano; Via, Lisa Dalla; Ronconi, Luca","Design, physico-chemical characterization and <i>in vitro</i> biological activity of organogold(III) glycoconjugates.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8963","8979","10.1039/d1dt01100f","","","0.71073","MoKα","","0.0638","0.0426","","","0.1028","0.1179","","","","","","1.085","","","","has coordinates,has disorder","267167","2021-07-05","17:36:48",""
"7707443","14.524","0.0004","8.7052","0.0002","19.7955","0.0006","90","","109.332","0.001","90","","2361.71","0.11","200","","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Au F6 N3 O P S2 -","- C19 H21 Au F6 N3 O P S2 -","- C76 H84 Au4 F24 N12 O4 P4 S8 -","4","1","","Pettenuzzo, Andrea; Vezzù, Keti; Di Paolo, Maria Luisa; Fotopoulou, Eirini; Marchiò, Luciano; Via, Lisa Dalla; Ronconi, Luca","Design, physico-chemical characterization and <i>in vitro</i> biological activity of organogold(III) glycoconjugates.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8963","8979","10.1039/d1dt01100f","","","0.71073","MoKα","","0.0394","0.0296","","","0.0617","0.0673","","","","","","1.048","","","","has coordinates,has disorder","267167","2021-07-05","17:36:49",""
"7707444","15.5049","0.0008","8.7207","0.0004","20.5123","0.0011","90","","111.798","0.002","90","","2575.2","0.2","200","","200","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Au F6 N4 O P S2 -","- C21 H24 Au F6 N4 O P S2 -","- C84 H96 Au4 F24 N16 O4 P4 S8 -","4","1","","Pettenuzzo, Andrea; Vezzù, Keti; Di Paolo, Maria Luisa; Fotopoulou, Eirini; Marchiò, Luciano; Via, Lisa Dalla; Ronconi, Luca","Design, physico-chemical characterization and <i>in vitro</i> biological activity of organogold(III) glycoconjugates.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8963","8979","10.1039/d1dt01100f","","","0.71073","MoKα","","0.0247","0.0238","","","0.0614","0.062","","","","","","1.012","","","","has coordinates,has disorder","267167","2021-07-05","17:36:49",""
"7707445","42.262","0.008","42.262","0.008","16.951","0.002","90","","90","","120","","26220","8","100","2","100","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C97 H53 Cl N8 O38 Rh2 Zr6 -","- C97 H53 Cl N8 O38 Rh2 Zr6 -","- C291 H159 Cl3 N24 O114 Rh6 Zr18 -","3","0.125","","Szczepkowska, Anna M.; Janeta, Mateusz; Siczek, Miłosz; Tylus, Włodzimierz; Trzeciak, Anna M.; Bury, Wojciech","Immobilization of Rh(I) precursor in a porphyrin metal-organic framework - turning on the catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9051","9058","10.1039/d1dt00518a","","x-ray","1.54184","CuKα","","0.1356","0.0964","","","0.2784","0.3173","","","","","","1.165","","","","has coordinates,has disorder","268762","2021-09-06","11:11:29",""
"7707446","10.301","0.002","29.369","0.006","10.68","0.002","90","","104.88","0.02","90","","3122.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56.3 H36.3 Cl0.9 N4 O12 Rh2 -","- C56.3 H36.3 Cl0.9 N4 O12 Rh2 -","- C112.6 H72.6 Cl1.8 N8 O24 Rh4 -","2","0.5","","Szczepkowska, Anna M.; Janeta, Mateusz; Siczek, Miłosz; Tylus, Włodzimierz; Trzeciak, Anna M.; Bury, Wojciech","Immobilization of Rh(I) precursor in a porphyrin metal-organic framework - turning on the catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9051","9058","10.1039/d1dt00518a","","","0.71073","MoKα","","0.2728","0.1312","","","0.3121","0.4174","","","","","","1.004","","","","has coordinates,has disorder","268762","2021-09-06","11:11:30",""
"7707447","25.388","0.003","25.388","0.003","25.388","0.003","90","","90","","90","","16364","3","100","2","100","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C219 H124 Cl3 N12 O62 Rh3 Zr6 -","- C217 H124 Cl0.9996 N12 O59.9668 Rh3.0003 Zr6 -","- C217 H124 Cl0.9996 N12 O59.9668 Rh3.0003 Zr6 -","1","0.0208333","","Szczepkowska, Anna M.; Janeta, Mateusz; Siczek, Miłosz; Tylus, Włodzimierz; Trzeciak, Anna M.; Bury, Wojciech","Immobilization of Rh(I) precursor in a porphyrin metal-organic framework - turning on the catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9051","9058","10.1039/d1dt00518a","","","0.71073","MoKα","","0.1155","0.0901","","","0.2518","0.3109","","","","","","1.234","","","","has coordinates,has disorder","268762","2021-09-06","11:11:30",""
"7707448","20.266","0.002","20.266","0.002","20.0904","0.0018","90","","90","","120","","7145.9","1.2","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C324 H288 N72 O36 -","18","3","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Elango, K. P.; Kalaivani, P.; Prabhakaran, R.","Dual sensing of methionine and aspartic acid in aqueous medium by a quinoline-based fluorescent probe.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8820","8830","10.1039/d1dt00648g","","","0.71073","MoKα","","0.2135","0.1351","","","0.3388","0.3987","","","","","","1.016","","","","has coordinates","267182","2021-07-05","17:39:49",""
"7707449","7.335","0.0003","54.757","0.002","10.2586","0.0004","90","","105.497","0.004","90","","3970.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Cl4 Cu2 N8 O7 -","- C37 H40 Cl4 Cu2 N8 O7 -","- C148 H160 Cl16 Cu8 N32 O28 -","4","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Elango, K. P.; Kalaivani, P.; Prabhakaran, R.","Dual sensing of methionine and aspartic acid in aqueous medium by a quinoline-based fluorescent probe.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8820","8830","10.1039/d1dt00648g","","","1.54178","CuKα","","0.0891","0.0776","","","0.1537","0.158","","","","","","1.168","","","","has coordinates,has disorder","267182","2021-07-05","17:39:49",""
"7707450","7.7584","0.0003","11.326","0.0004","25.7631","0.001","90","","90","","90","","2263.85","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cu N6 O10 -","- C19 H22 Cu N6 O10 -","- C76 H88 Cu4 N24 O40 -","4","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Elango, K. P.; Kalaivani, P.; Prabhakaran, R.","Dual sensing of methionine and aspartic acid in aqueous medium by a quinoline-based fluorescent probe.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8820","8830","10.1039/d1dt00648g","","","0.71073","MoKα","","0.0809","0.051","","","0.0893","0.1061","","","","","","1.056","","","","has coordinates,has disorder","267182","2021-07-05","17:39:49",""
"7707451","4.0975","0.0002","11.5751","0.0006","16.3426","0.0008","90","","90","","90","","775.11","0.07","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 Br Cu I N -","- C5 H4 Br Cu I N -","- C20 H16 Br4 Cu4 I4 N4 -","4","1","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0789","0.0792","","","","","","1.065","","","","has coordinates","267179","2021-07-05","17:39:01",""
"7707452","13.4029","0.0005","14.8238","0.0006","7.9397","0.0003","90","","100.657","0.004","90","","1550.27","0.11","90","2","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Cl Cu N -","- C7 H9 Cl Cu N -","- C56 H72 Cl8 Cu8 N8 -","8","1","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.0331","0.0325","","","0.0889","0.0894","","","","","","1.119","","","","has coordinates","267179","2021-07-05","17:39:01",""
"7707453","8.7546","0.0003","3.9106","0.0001","21.0487","0.0007","90","","100.957","0.004","90","","707.48","0.04","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Br2 Cu N -","- C5 H4 Br2 Cu N -","- C20 H16 Br8 Cu4 N4 -","4","1","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.0363","0.0352","","","0.0933","0.0941","","","","","","1.152","","","","has coordinates","267179","2021-07-05","17:39:01",""
"7707454","17.2967","0.0009","3.8127","0.0002","21.4776","0.0011","90","","90","","90","","1416.39","0.13","90","2","90","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H14 Cl2 Cu2 N2 O2 -","- C12 H14 Cl2 Cu2 N2 O2 -","- C48 H56 Cl8 Cu8 N8 O8 -","4","1","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.0359","0.0331","","","0.0913","0.0942","","","","","","1.081","","","","has coordinates","267179","2021-07-05","17:39:01",""
"7707455","14.7196","0.0005","14.7196","0.0005","8.367","0.0004","90","","90","","120","","1569.97","0.11","90","","90","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C63 H81 Cl3 Cu3 N9 -","- C63 H81 Cl3 Cu3 N9 -","- C63 H81 Cl3 Cu3 N9 -","1","0.0555556","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.017","0.017","","","0.0456","0.0456","","","","","","1.124","","","","has coordinates,has disorder","267179","2021-07-05","17:39:01",""
"7707456","8.8676","0.0002","9.3703","0.0003","13.3026","0.0003","79.212","0.002","70.852","0.002","71.28","0.002","984.8","0.05","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N O -","- C28 H21 N O -","- C56 H42 N2 O2 -","2","1","","Mukherjee, Atasi; Bhattacharya, Suman; Chakravarty, Manab","An unprecedented pyridine-based dinuclear mixed-valent Re<sup>I/VII</sup> oxo-bridged complex: a solvatochromic and AIE-active probe for nanomolar detection of picric acid and trinitrotoluene.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9144","9157","10.1039/d1dt01002f","","x-ray","1.54184","CuKα","","0.0452","0.0419","","","0.1219","0.1242","","","","","","1.095","","","","has coordinates","268765","2021-09-06","11:12:20",""
"7707457","8.44843","0.00012","17.0812","0.0003","18.838","0.0003","73.5073","0.0013","86.5828","0.0012","88.1763","0.0012","2601.7","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H42 N2 O9 Re2 -","- C59 H42 N2 O9 Re2 -","- C118 H84 N4 O18 Re4 -","2","1","","Mukherjee, Atasi; Bhattacharya, Suman; Chakravarty, Manab","An unprecedented pyridine-based dinuclear mixed-valent Re<sup>I/VII</sup> oxo-bridged complex: a solvatochromic and AIE-active probe for nanomolar detection of picric acid and trinitrotoluene.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9144","9157","10.1039/d1dt01002f","","x-ray","1.54184","CuKα","","0.0843","0.0791","","","0.2099","0.2145","","","","","","1.048","","","","has coordinates,has disorder","268765","2021-09-06","11:12:20",""
"7707458","21.5194","0.0019","10.3978","0.0009","23.024","0.002","90","","91.393","0.003","90","","5150.2","0.8","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H94 N6 Si4 -","- C46 H94 N6 Si4 -","- C184 H376 N24 Si16 -","4","0.5","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0388","0.0342","","","0.0834","0.086","","","","","","1.061","","","","has coordinates","267180","2021-07-05","17:39:21",""
"7707459","10.6636","0.0005","12.0948","0.0006","21.0683","0.0011","80.983","0.002","83.783","0.002","65.412","0.002","2437.5","0.2","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C40 H84 N6 Si4 -","- C40 H84 N6 Si4 -","- C80 H168 N12 Si8 -","2","1","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0302","0.0281","","","0.0694","0.0714","","","","","","1.046","","","","has coordinates","267180","2021-07-05","17:39:21",""
"7707460","11.8823","0.001","12.5801","0.001","17.6952","0.0013","103.907","0.003","97.451","0.003","108.909","0.003","2366.1","0.3","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H82 N6 O2 Si4 -","- C40 H82 N6 O2 Si4 -","- C80 H164 N12 O4 Si8 -","2","1","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0368","0.032","","","0.0811","0.0843","","","","","","1.04","","","","has coordinates,has disorder","267180","2021-07-05","17:39:21",""
"7707461","10.1287","0.0011","19.437","0.002","16.5735","0.0018","90","","95.309","0.004","90","","3248.9","0.6","100","","100","","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 N3 Si2 -","- C34 H51 N3 Si2 -","- C136 H204 N12 Si8 -","4","1","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0447","0.0404","","","0.1","0.1026","","","","","","1.122","","","","has coordinates","267180","2021-07-05","17:39:21",""
"7707462","10.4102","0.0019","12.363","0.002","21.101","0.004","81.153","0.007","76.718","0.007","65.519","0.007","2400.2","0.8","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C40 H82 N6 Si4 -","- C40 H82 N6 Si4 -","- C80 H164 N12 Si8 -","2","1","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0403","0.0333","","","0.082","0.0861","","","","","","1.04","","","","has coordinates","267180","2021-07-05","17:39:21",""
"7707463","10.036","0.0017","11.43","0.002","24.72","0.004","90.316","0.006","100.375","0.006","115.781","0.005","2500.4","0.7","100","","100","","","","","","","","see text","5","P -1","-P 1","2","","","","- C40 H82 N6 P4 Si4 -","- C40 H82 N6 P4 Si4 -","- C80 H164 N12 P8 Si8 -","2","1","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0267","0.0245","","","0.0609","0.0626","","","","","","1.03","","","","has coordinates","267180","2021-07-05","17:39:21",""
"7707464","10.4607","0.0014","12.233","0.002","20.302","0.003","87.804","0.006","84.887","0.005","64.736","0.004","2340.1","0.6","100","","100","","","","","","","","see text","4","P -1","-P 1","2","","","","- C40 H82 N6 Si4 -","- C40 H82 N6 Si4 -","- C80 H164 N12 Si8 -","2","1","","Holzner, Richard; Porzelt, Amelie; Karaca, Uhut S.; Kiefer, Fiona; Frisch, Philipp; Wendel, Daniel; Holthausen, Max C.; Inoue, Shigeyoshi","Imino(silyl)disilenes: application in versatile bond activation, reversible oxidation and thermal isomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8785","8793","10.1039/d1dt01629f","","x-ray","0.71073","MoKα","","0.0694","0.0583","","","0.1381","0.1499","","","","","","1.035","","","","has coordinates,has disorder","267180","2021-07-05","17:39:21",""
"7707465","8.8485","0.0006","10.7306","0.0008","15.2015","0.0011","88.126","0.003","74.988","0.003","69.294","0.003","1301.3","0.16","100","2","100.05","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl N4 O Pd -","- C14 H9 Cl N4 O Pd -","- C56 H36 Cl4 N16 O4 Pd4 -","4","2","","Omondi, Reinner O.; Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin; Jaganyi, Deogratius; Ojwach, Stephen O.","Role of π-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and <i>in vitro</i> cytotoxicity of carboxamide palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8127","8143","10.1039/d1dt00412c","","x-ray","0.71073","MoKα","","0.0296","0.0251","","","0.0595","0.0623","","","","","","1.033","","","","has coordinates","267201","2021-07-05","17:45:25",""
"7707466","17.9471","0.0014","4.5613","0.0004","17.8033","0.0014","90","","114.681","0.004","90","","1324.28","0.19","100","2","100.05","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N3 O Pd -","- C15 H10 Cl N3 O Pd -","- C60 H40 Cl4 N12 O4 Pd4 -","4","1","","Omondi, Reinner O.; Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin; Jaganyi, Deogratius; Ojwach, Stephen O.","Role of π-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and <i>in vitro</i> cytotoxicity of carboxamide palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8127","8143","10.1039/d1dt00412c","","x-ray","0.71073","MoKα","","0.0235","0.0205","","","0.0505","0.0519","","","","","","1.029","","","","has coordinates","267201","2021-07-05","17:45:26",""
"7707467","4.5553","0.0003","18.3946","0.0009","9.1957","0.0004","90","","94.978","0.002","90","","767.63","0.07","100","2","100.15","","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C19 H12 Cl N3 O Pd -","- C19 H12 Cl N3 O Pd -","- C38 H24 Cl2 N6 O2 Pd2 -","2","1","","Omondi, Reinner O.; Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin; Jaganyi, Deogratius; Ojwach, Stephen O.","Role of π-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and <i>in vitro</i> cytotoxicity of carboxamide palladium(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8127","8143","10.1039/d1dt00412c","","","0.71073","MoKα","","0.0479","0.0474","","","0.1175","0.1184","","","","","","1.083","","","","has coordinates","267201","2021-07-05","17:45:26",""
"7707468","9.5625","0.0002","11.9796","0.0003","12.4343","0.0003","66.009","0.001","70.113","0.001","56.692","0.001","1074.76","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 B F10 N O2 -","- C21 H20 B F10 N O2 -","- C42 H40 B2 F20 N2 O4 -","2","1","","Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao","B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8947","8954","10.1039/d1dt01169c","","x-ray","0.71073","MoKα","","0.0476","0.0382","","","0.1016","0.1115","","","","","","1.072","","","","has coordinates,has disorder","267168","2021-07-05","17:37:00",""
"7707469","10.4834","0.0002","11.7933","0.0003","11.9729","0.0003","114.201","0.001","95.482","0.001","110.855","0.001","1210.01","0.05","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 B F10 N O2 -","- C22 H22 B F10 N O2 -","- C44 H44 B2 F20 N2 O4 -","2","1","","Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao","B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8947","8954","10.1039/d1dt01169c","","","0.71073","MoKα","","0.044","0.0368","","","0.1037","0.1097","","","","","","1.063","","","","has coordinates","267168","2021-07-05","17:37:00",""
"7707470","11.2409","0.0001","11.7688","0.0001","12.1232","0.0001","63.9275","0.0005","81.7456","0.0005","65.3098","0.0005","1307.32","0.02","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H20 B D6 F10 N O -","- C27 H20 B D6 F10 N O -","- C54 H40 B2 D12 F20 N2 O2 -","2","1","","Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao","B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8947","8954","10.1039/d1dt01169c","","x-ray","0.71073","MoKα","","0.0469","0.0392","","","0.0888","0.0961","","","","","","1.044","","","","has coordinates","267168","2021-07-05","17:37:00",""
"7707471","11.8091","0.0008","17.6895","0.0008","16.5586","0.0009","90","","128.367","0.003","90","","2712.1","0.3","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 B F10 N O -","- C29 H26 B F10 N O -","- C116 H104 B4 F40 N4 O4 -","4","1","","Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao","B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8947","8954","10.1039/d1dt01169c","","x-ray","0.71073","MoKα","","0.1199","0.0519","","","0.0984","0.1196","","","","","","1.005","","","","has coordinates","267168","2021-07-05","17:37:00",""
"7707472","12.5804","0.0011","13.3091","0.0012","16.1032","0.0016","67.74","0.003","69.334","0.003","79.055","0.003","2329.8","0.4","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H21 B2 F30 N O3 -","- C45 H21 B2 F30 N O3 -","- C90 H42 B4 F60 N2 O6 -","2","1","","Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao","B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8947","8954","10.1039/d1dt01169c","","x-ray","0.71073","MoKα","","0.0546","0.0371","","","0.0851","0.0921","","","","","","1.041","","","","has coordinates","267168","2021-07-05","17:37:00",""
"7707473","11.994","0.004","13.023","0.004","17.033","0.005","81.55","0.01","85.189","0.009","69.211","0.009","2458.9","1.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H21 B2 Cl2 F30 N O2 -","- C45 H19 B2 F30 N O2 -","- C90 H38 B4 F60 N2 O4 -","2","1","","Pan, Yanlin; Cui, Jie; Wei, Yongliang; Xu, Zhaochao; Wang, Tongdao","B-H and O-H bonds activation <i>via</i> a single electron transfer of frustrated radical pairs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8947","8954","10.1039/d1dt01169c","","","0.71073","MoKα","","0.1272","0.076","","","0.1752","0.1947","","","","","","0.945","","","","has coordinates","267168","2021-07-05","17:37:00",""
"7707474","30.375","0.004","14.5133","0.0014","24.714","0.003","90","","123.811","0.002","90","","9052.4","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H71.33 Co5.33 Mo12 N12 O70 P8 -","- C30 H52 Co5.3334 Mo12 N12 O70 P8 -","- C120 H208 Co21.3336 Mo48 N48 O280 P32 -","4","0.5","","Li, Jia-Nian; Du, Ze-Yu; Li, Ning-Fang; Han, Ye-Min; Zang, Ting-Ting; Yang, Mu-Xiu; Liu, Xiao-Mei; Wang, Ji-Lei; Mei, Hua; Xu, Yan","Two three-dimensional polyanionic clusters [M(P<sub>4</sub>Mo<sub>6</sub>)<sub>2</sub>] (M = Co, Zn) exhibiting excellent photocatalytic CO<sub>2</sub> reduction performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9137","9143","10.1039/d1dt00809a","","","0.71073","MoKα","","0.0714","0.0575","","","0.163","0.1742","","","","","","1.094","","","","has coordinates,has disorder","268770","2021-09-06","11:13:58",""
"7707475","30.91","0.04","14.749","0.016","25.1","0.03","90","","124.63","0.03","90","","9416","2","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H76.5 K2 Mo12 N16 O66 P8 Zn4.75 -","- C40 H58 K2 Mo12 N16 O66 P8 Zn4.75 -","- C160 H232 K8 Mo48 N64 O264 P32 Zn19 -","4","0.5","","Li, Jia-Nian; Du, Ze-Yu; Li, Ning-Fang; Han, Ye-Min; Zang, Ting-Ting; Yang, Mu-Xiu; Liu, Xiao-Mei; Wang, Ji-Lei; Mei, Hua; Xu, Yan","Two three-dimensional polyanionic clusters [M(P<sub>4</sub>Mo<sub>6</sub>)<sub>2</sub>] (M = Co, Zn) exhibiting excellent photocatalytic CO<sub>2</sub> reduction performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9137","9143","10.1039/d1dt00809a","","","0.71073","MoKα","","0.0548","0.0443","","","0.1242","0.132","","","","","","1.074","","","","has coordinates","268770","2021-09-06","11:13:58",""
"7707476","17.6837","0.0015","18.1876","0.0018","20.173","0.002","93.911","0.005","92.383","0.005","104.711","0.004","6249.1","1","150","2","150","","","","","","","","","8","P -1","-P 1","2","","","","- C134 H109 B2 Cl2 F4 Ir2 N16 O5.5 -","- C134 H115 B2 Cl2 F4 Ir2 N16 O4.5 -","- C268 H230 B4 Cl4 F8 Ir4 N32 O9 -","2","1","","Qiao, Liping; Liu, Jiangping; Kuang, Shi; Liao, Xinxing; Kou, Junfeng; Ji, Liangnian; Chao, Hui","A mitochondria-targeted BODIPY-Ir(III) conjugate as a photoinduced ROS generator for the oxidative destruction of triple-negative breast cancer cells","Dalton Transactions","2021","","","","","10.1039/D1DT01460A","","","0.71073","MoKα","","0.1937","0.0981","","","0.2371","0.2726","","","","","","1.05","","","","has coordinates,has disorder","265517","2021-05-27","01:50:45",""
"7707477","10.489","0.0007","16.8744","0.001","21.427","0.0012","90","","97.107","0.007","90","","3763.3","0.4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H36 Cl3 F6 N2 O2 P Ru -","- C37 H36 Cl3 F6 N2 O2 P Ru -","- C148 H144 Cl12 F24 N8 O8 P4 Ru4 -","4","1","","Gopalakrishnan, Durairaj; Saravanan, S.; Merckx, Ronald; Madan Kumar, Arumugam; Khamrang, Themmila; Velusamy, Marappan; Vasanth, K.; Sunitha, S.; Hoogenboom, Richard; Maji, Samarendra; Ganeshpandian, Mani","<i>N</i>,<i>N</i>-Ru(II)-<i>p</i>-cymene-poly(<i>N</i>-vinylpyrrolidone) surface functionalized gold nanoparticles: from organoruthenium complex to nanomaterial for antiproliferative activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","8232","8242","10.1039/d1dt00694k","","","0.71073","MoKα","","0.0861","0.0665","","","0.1662","0.18","","","","","","1.053","","","","has coordinates","267196","2021-07-05","17:44:32",""
"7707478","15.027","0.0005","10.4796","0.0003","9.4372","0.0003","90","","91.705","0.003","90","","1485.48","0.08","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/m 1","-C 2y","12","","Poly[(mu4-1,4-benzenedicarboxylato-kO:kO':kO'':kO''')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)bis(dimethylformamide)bis(nitrato-k2O,O')dizinc(II)]","","- C13 H13 N5 O6 Zn -","- C13 H13 N5 O6 Zn -","- C52 H52 N20 O24 Zn4 -","4","0.5","","Cepeda, Javier; Pérez-Yáñez, Sonia; García, Jose Ángel; Rojas, Sara; Rodríguez-Diéguez, Antonio","Towards correlating dimensionality and topology in luminescent MOFs based on terephthalato and bispyridyl-like ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9269","9282","10.1039/d1dt01204e","","","1.54184","CuKα","","0.0506","0.0466","","","0.1201","0.1232","","","","","","1.474","","","","has coordinates,has disorder","268758","2021-09-06","11:10:16",""
"7707479","14.1969","0.0006","15.7861","0.0007","21.019","0.0009","90","","90","","90","","4710.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P c c a","-P 2a 2ac","54","","Poly{[(mu3-1,4-benzenedicarboxylato-k2O,O':k2O'',O''':kO'')(mu-3,6-bis(4-pyridyl)-1,2,4,5-tetrazine)cadmium(II)] dimethylformamide}","","- C23 H19 Cd N7 O5 -","- C20 H12 Cd N6 O4 -","- C160 H96 Cd8 N48 O32 -","8","1","","Cepeda, Javier; Pérez-Yáñez, Sonia; García, Jose Ángel; Rojas, Sara; Rodríguez-Diéguez, Antonio","Towards correlating dimensionality and topology in luminescent MOFs based on terephthalato and bispyridyl-like ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9269","9282","10.1039/d1dt01204e","","","0.71073","MoKα","","0.1196","0.1075","","","0.2302","0.237","","","","","","1.285","","","","has coordinates","268758","2021-09-06","11:10:17",""
"7707480","13.9328","0.0008","14.1924","0.0008","15.9393","0.0009","93.983","0.002","113.353","0.002","113.78","0.002","2547.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H128 Ga2 N4 Na2 O16 -","- C98 H128 Ga2 N4 Na2 O16 -","- C98 H128 Ga2 N4 Na2 O16 -","1","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1548","0.083","","","0.163","0.1811","","","","","","1.003","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707481","15.1442","0.0016","15.1442","0.0016","43.794","0.005","90","","90","","90","","10044","1.9","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C102 H130 Ga2 N6 Na2 O12 -","- C102 H130 Ga2 N6 Na2 O12 -","- C408 H520 Ga8 N24 Na8 O48 -","4","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1046","0.0617","","","0.138","0.1515","","","","","","1.029","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707482","12.9409","0.0005","13.1598","0.0004","14.4219","0.0007","67.419","0.004","86.425","0.004","64.58","0.003","2032.69","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H110 Ga2 N4 Na2 O10 -","- C86 H110 Ga2 N4 Na2 O10 -","- C86 H110 Ga2 N4 Na2 O10 -","1","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1251","0.0596","","","0.0958","0.1095","","","","","","1.027","","","","has coordinates","267183","2021-07-05","17:40:37",""
"7707483","12.7877","0.0007","18.021","0.0009","23.464","0.0013","90","","90","","90","","5407.2","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H79 Ga N5 Na O7 Si -","- C51 H79 Ga N5 Na O7 Si -","- C204 H316 Ga4 N20 Na4 O28 Si4 -","4","1","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.078","0.0484","","","0.0852","0.0945","","","","","","1.031","","","","has coordinates","287906","2023-11-30","18:39:50",""
"7707484","13.6659","0.0004","15.7097","0.0004","21.6265","0.0006","90","","100.458","0.003","90","","4565.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93.2 H128 Ga2 N4 Na2 O13.6 -","- C93.2 H128 Ga2 N4 Na2 O13.6 -","- C186.4 H256 Ga4 N8 Na4 O27.2 -","2","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.0904","0.057","","","0.1494","0.1686","","","","","","1.005","","","","has coordinates","267183","2021-07-05","17:40:37",""
"7707485","20.7044","0.0013","15.9646","0.001","28.8066","0.0013","90","","100.355","0.005","90","","9366.6","0.9","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C97 H130 Ga2 N4 Na2 O10 -","- C97 H130 Ga2 N4 Na2 O10 -","- C388 H520 Ga8 N16 Na8 O40 -","4","1","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.09","0.0671","","","0.1624","0.1814","","","","","","1.017","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707486","19.4444","0.0007","17.6536","0.0006","14.8679","0.0005","90","","90","","90","","5103.6","0.3","100","2","100","2","","","","","","","","8","A m a 2","A 2 -2a","40","","","","- C51 H75 Cl Ga N2 Na O4 Si -","- C51 H75 Cl Ga N2 Na O4 Si -","- C204 H300 Cl4 Ga4 N8 Na4 O16 Si4 -","4","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.0382","0.0348","","","0.0898","0.0917","","","","","","1.033","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707487","23.891","0.003","13.2144","0.0014","21.639","0.002","90","","110.724","0.003","90","","6389.5","1.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H80 Ga N2 Na O7 -","- C72 H80 Ga N2 Na O7 -","- C288 H320 Ga4 N8 Na4 O28 -","4","1","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1435","0.105","","","0.1831","0.2037","","","","","","1.042","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707488","39.1509","0.0017","13.2466","0.0006","39.457","0.0017","90","","112.069","0.001","90","","18963.8","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C194.96 H260.09 Ga4 N8 Na4 O25.04 -","- C194.956 H260.088 Ga4 N8 Na4 O25.044 -","- C779.824 H1040.35 Ga16 N32 Na16 O100.176 -","4","0.5","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1147","0.0869","","","0.1935","0.2038","","","","","","1.075","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707489","12.93764","0.00019","20.7157","0.0003","44.2008","0.0009","92.1513","0.0015","95.3102","0.0015","98.1137","0.0012","11662","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C118 H169 Ga2 N8 Na2 O12.67 -","- C118 H169 Ga2 N8 Na2 O12.6665 -","- C472 H676 Ga8 N32 Na8 O50.666 -","4","2","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.1172","0.0953","","","0.2546","0.2805","","","","","","1.025","","","","has coordinates,has disorder","267183","2021-07-05","17:40:37",""
"7707490","10.6678","0.0002","18.2211","0.0004","46.7278","0.0008","90","","90","","90","","9082.9","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C118.5 H75 Cl3 Ir3 N9 O6 -","- C118.501 H75.002 Cl3.002 Ir3 N9 O6 -","- C474.004 H300.008 Cl12.008 Ir12 N36 O24 -","4","1","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0821","0.0607","","","0.1021","0.1098","","","","","","1.032","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707491","10.4642","0.0003","10.5088","0.0002","15.5137","0.0004","85.981","0.002","76.654","0.002","72.389","0.002","1582.11","0.07","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Cl2 Ir N3 O2 -","- C40 H26 Cl2 Ir N3 O2 -","- C80 H52 Cl4 Ir2 N6 O4 -","2","1","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0366","0.0315","","","0.0731","0.0752","","","","","","1.051","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707492","9.15128","0.00017","27.4566","0.0006","14.7617","0.0003","90","","102.392","0.002","90","","3622.66","0.13","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C41.88 H30.3 Cl2.45 Ir N3 O2 -","- C41.8775 H30.306 Cl2.449 Ir N3 O2 -","- C167.51 H121.224 Cl9.796 Ir4 N12 O8 -","4","2","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0525","0.0434","","","0.0905","0.0945","","","","","","1.039","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707493","12.274","0.0002","16.9938","0.0003","18.1515","0.0005","106.596","0.002","109.535","0.002","103.187","0.002","3192.43","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Cl2 Ir N3 O2 -","- C40 H26 Cl2 Ir N3 O2 -","- C160 H104 Cl8 Ir4 N12 O8 -","4","2","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0622","0.0426","","","0.0843","0.0912","","","","","","1.022","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707494","9.15927","0.00016","27.4078","0.0005","14.7784","0.0003","90","","102.475","0.002","90","","3622.31","0.12","100","2","100.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42.1 H30.85 Cl2.36 Ir N3 O2 -","- C42.1025 H30.846 Cl2.359 Ir N3 O2 -","- C168.41 H123.384 Cl9.436 Ir4 N12 O8 -","4","2","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0455","0.0395","","","0.0895","0.0923","","","","","","1.045","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707495","35.753","0.003","35.753","0.003","35.753","0.003","90","","90","","90","","45702","7","298","","298","","","","","","","","","6","I 21 3","I 2b 2c 3","199","R-FeNb","","","- C64 H38 Fe2 Mo N16 O12 -","- C64 Fe2 N16 Nb O12 -","- C1536 Fe48 N384 Nb24 O288 -","24","1","","Kawabata, Shintaro; Nakabayashi, Koji; Imoto, Kenta; Klimke, Stephen; Renz, Franz; Ohkoshi, Shin-Ichi","Second harmonic generation on chiral cyanido-bridged Fe<sup>II</sup>-Nb<sup>IV</sup> spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8524","8532","10.1039/d1dt01324f","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.6767","","","","","","","has coordinates","267140","2021-07-05","17:27:47",""
"7707496","35.896593","","35.896593","","35.896593","","90","","90","","90","","46255.1","","298","","298","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C64 H38 Fe2 Mo N16 O12 -","- C64 Fe2 N16 Nb O12 -","- C1536 Fe48 N384 Nb24 O288 -","24","0.25","","Kawabata, Shintaro; Nakabayashi, Koji; Imoto, Kenta; Klimke, Stephen; Renz, Franz; Ohkoshi, Shin-Ichi","Second harmonic generation on chiral cyanido-bridged Fe<sup>II</sup>-Nb<sup>IV</sup> spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8524","8532","10.1039/d1dt01324f","powder diffraction","","1.54183","CuKα","","","","","","","","","","1.9659","","","","","","","has coordinates","267140","2021-07-05","17:27:48",""
"7707497","35.709","0.004","35.709","0.004","35.709","0.004","90","","90","","90","","45534","9","298","","298","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C64 H38 Fe2 Mo N16 O12 -","- C64 Fe2 N16 Nb O12 -","- C1536 Fe48 N384 Nb24 O288 -","24","1","","Kawabata, Shintaro; Nakabayashi, Koji; Imoto, Kenta; Klimke, Stephen; Renz, Franz; Ohkoshi, Shin-Ichi","Second harmonic generation on chiral cyanido-bridged Fe<sup>II</sup>-Nb<sup>IV</sup> spin-crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8524","8532","10.1039/d1dt01324f","powder diffraction","","1.54186","CuKα","","","","","","","","","","2.3312","","","","","","","has coordinates","267140","2021-07-05","17:27:48",""
"7707498","10.8556","0.0004","11.7894","0.0004","11.8812","0.0005","62.401","0.004","66.258","0.004","67.286","0.003","1195.57","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H66 Al2 D12 N4 -","- C50 H66 Al2 D12 N4 -","- C50 H66 Al2 D12 N4 -","1","0.5","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0497","0.0438","","","0.115","0.1211","","","","","","1.065","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707499","14.5375","0.0002","16.7953","0.0003","20.1307","0.0003","104.701","0.001","99.954","0.001","114.99","0.001","4083.37","0.13","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H90 Al2 N4 S2 -","- C87 H90 Al2 N4 S2 -","- C174 H180 Al4 N8 S4 -","2","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","0.71073","MoKα","","0.064","0.0517","","","0.1414","0.1515","","","","","","1.031","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707500","10.6055","0.0003","28.9712","0.0006","11.4037","0.0002","90","","96.681","0.002","90","","3480.04","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H59 Al N2 Si3 -","- C28 H59 Al N2 Si3 -","- C112 H236 Al4 N8 Si12 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.39222","CuKβ","","0.0428","0.0342","","","0.0844","0.0899","","","","","","1.036","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707501","8.1677","0.0002","12.8522","0.0004","40.6365","0.0016","90","","90","","90","","4265.7","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H55 Al N2 -","- C52 H55 Al N2 -","- C208 H220 Al4 N8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0785","0.0584","","","0.139","0.1578","","","","","","1.039","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707502","9.1324","0.0001","11.5558","0.0001","18.8226","0.0002","90","","97.684","0.001","90","","1968.55","0.03","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Al2 N4 S2 -","- C38 H62 Al2 N4 S2 -","- C76 H124 Al4 N8 S4 -","2","0.5","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0305","0.0285","","","0.0771","0.079","","","","","","1.042","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707503","8.9859","0.0003","12.6693","0.0006","17.0024","0.0007","90","","95.529","0.003","90","","1926.63","0.14","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 Cl2 Ga2 N4 -","- C38 H62 Cl2 Ga2 N4 -","- C76 H124 Cl4 Ga4 N8 -","2","0.5","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","0.71073","MoKα","","0.0552","0.0437","","","0.09","0.095","","","","","","1.155","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707504","17.3711","0.0002","12.4969","0.0002","18.2513","0.0002","90","","90","","90","","3962.08","0.09","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H32 B Cl N2 -","- C19 H32 B Cl N2 -","- C152 H256 B8 Cl8 N16 -","8","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0372","0.032","","","0.083","0.0869","","","","","","1.058","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707505","12.502","0.0004","16.5369","0.0005","15.0602","0.0005","90","","110.035","0.004","90","","2925.19","0.18","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H50 Al N3 Si2 -","- C25 H50 Al N3 Si2 -","- C100 H200 Al4 N12 Si8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0527","0.0432","","","0.1124","0.1201","","","","","","1.045","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707506","13.6665","0.0003","8.5936","0.0002","17.8625","0.0004","90","","108.261","0.001","90","","1992.2","0.08","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 Cl Ga N2 -","- C19 H32 Cl Ga N2 -","- C76 H128 Cl4 Ga4 N8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","0.71073","MoKα","","0.0405","0.0338","","","0.071","0.0742","","","","","","1.052","","","","has coordinates","267144","2021-07-05","17:29:02",""
"7707507","19.7757","0.0002","14.2425","0.0002","7.5367","0.0001","90","","90","","90","","2122.75","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Al Cl N2 -","- C19 H32 Al Cl N2 -","- C76 H128 Al4 Cl4 N8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0622","0.0601","","","0.1827","0.185","","","","","","1.101","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707508","8.4274","0.0002","13.0691","0.0004","18.884","0.0006","90","","93.242","0.003","90","","2076.53","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H72 B2 Li2 N4 -","- C38 H72 B2 Li2 N4 -","- C76 H144 B4 Li4 N8 -","2","0.5","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0599","0.0446","","","0.1053","0.1159","","","","","","1.033","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707509","18.0641","0.0004","9.7386","0.0001","22.794","0.0005","90","","106.081","0.001","90","","3853","0.13","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 Cl Ga N2 -","- C47 H50 Cl Ga N2 -","- C188 H200 Cl4 Ga4 N8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","0.71073","MoKα","","0.0653","0.05","","","0.094","0.1008","","","","","","1.094","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707510","17.6814","0.0002","18.1633","0.0002","12.39478","0.00016","90","","95.6934","0.0012","90","","3960.98","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 N4 Si2 -","- C42 H54 N4 Si2 -","- C168 H216 N16 Si8 -","4","1","","Xu, Xiaowen; Seiffert, Anne K.; Lenaerts, Ruben; Ryskulova, Kanykei; Jana, Somdeb; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard","[2 ×2] metallo-supramolecular grids based on 4,6-bis((1<i>H</i>-1,2,3-triazol-4-yl)-pyridin-2-yl)-2-phenylpyrimidine ligands: from discrete [2 ×2] grid structures to star-shaped supramolecular polymeric architectures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8746","8751","10.1039/d1dt01373d","","x-ray","1.54184","CuKα","","0.0605","0.056","","","0.1551","0.1624","","","","","","1.058","","","","has coordinates","267170","2021-07-05","17:37:14",""
"7707511","6.9483","0.0003","7.5509","0.0003","13.0859","0.0005","77.715","0.003","82.604","0.003","88.873","0.003","665.24","0.05","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Fe N8 Pt -","- C28 H18 Fe N8 Pt -","- C28 H18 Fe N8 Pt -","1","0.5","","Brachňaková, Barbora; Moncoľ, Ján; Pavlik, Ján; Šalitroš, Ivan; Bonhommeau, Sébastien; Valverde-Muñoz, Francisco Javier; Salmon, Lionel; Molnár, Gábor; Routaboul, Lucie; Bousseksou, Azzedine","Spin crossover metal-organic frameworks with inserted photoactive guests: on the quest to control the spin state by photoisomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8877","8888","10.1039/d1dt01057c","","","1.54186","CuKα","","0.075","0.0745","","","0.194","0.1958","","","","","","1.07","","","","has coordinates","267173","2021-07-05","17:37:50",""
"7707512","6.8681","0.0002","7.3161","0.0002","13.443","0.0005","79.253","0.003","76.78","0.003","89.413","0.003","645.67","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Fe N8 Pt -","- C28 H18 Fe N8 Pt -","- C28 H18 Fe N8 Pt -","1","0.5","","Brachňaková, Barbora; Moncoľ, Ján; Pavlik, Ján; Šalitroš, Ivan; Bonhommeau, Sébastien; Valverde-Muñoz, Francisco Javier; Salmon, Lionel; Molnár, Gábor; Routaboul, Lucie; Bousseksou, Azzedine","Spin crossover metal-organic frameworks with inserted photoactive guests: on the quest to control the spin state by photoisomerization.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8877","8888","10.1039/d1dt01057c","","","1.54186","CuKα","","0.0494","0.0493","","","0.1252","0.1255","","","","","","1.069","","","","has coordinates","267173","2021-07-05","17:37:50",""
"7707513","11.4169","0.0005","11.6904","0.0005","16.8087","0.0007","70.906","0.004","79.811","0.003","88.663","0.003","2085.13","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H54 Cl5 Hg Ir2 N -","- C42 H54 Cl5 Hg Ir2 N -","- C84 H108 Cl10 Hg2 Ir4 N2 -","2","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0361","0.034","","","0.086","0.0876","","","","","","1.046","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707514","10.6104","0.0004","12.0252","0.0005","16.6227","0.0008","69.278","0.004","72.867","0.004","83.902","0.003","1895.68","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C41 H51 Cl2 Hg Ir2 N -","- C41 H51 Cl2 Hg Ir2 N -","- C82 H102 Cl4 Hg2 Ir4 N2 -","2","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0262","0.0245","","","0.0625","0.0637","","","","","","1.011","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707515","10.7955","0.0005","12.1139","0.0004","18.5808","0.0006","76.851","0.003","88.011","0.003","69.189","0.004","2208.99","0.16","118","20","118","20","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H44 Cl2 Ir P3 -","- C54.5 H44 Cl2 Ir P3 -","- C109 H88 Cl4 Ir2 P6 -","2","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0325","0.0299","","","0.0758","0.0775","","","","","","1.026","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707516","14.19411","0.00012","13.27153","0.00011","26.6663","0.0002","90","","92.565","0.0008","90","","5018.3","0.07","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H69 Ir N2 O -","- C57 H69 Ir N2 O -","- C228 H276 Ir4 N8 O4 -","4","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0233","0.021","","","0.0514","0.053","","","","","","1.035","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707517","10.3452","0.0004","15.7451","0.0006","16.1341","0.0006","94.912","0.003","99.262","0.003","105.162","0.003","2480.87","0.17","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H63 Ir N2 O4 S -","- C58 H63 Ir N2 O4 S -","- C116 H126 Ir2 N4 O8 S2 -","2","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.028","0.0257","","","0.062","0.0638","","","","","","1.035","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707518","12.0649","0.0004","12.2041","0.0005","12.5489","0.0006","118.782","0.005","105.993","0.004","100.339","0.003","1446","0.16","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C34 H43 Cl Ir N O -","- C34 H43 Cl Ir N O -","- C68 H86 Cl2 Ir2 N2 O2 -","2","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0216","0.0207","","","0.0521","0.0526","","","","","","1.011","","","","has coordinates","267145","2021-07-05","17:29:23",""
"7707519","21.7337","0.0002","11.72515","0.00011","29.5201","0.0003","90","","104.703","0.0011","90","","7276.3","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.625 H47 Cl3.75 Hg Ir N -","- C34.375 H41.75 Cl3.75 Hg Ir N -","- C275 H334 Cl30 Hg8 Ir8 N8 -","8","2","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0394","0.0334","","","0.0805","0.083","","","","","","1.039","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707520","11.78531","0.0001","12.98197","0.00013","28.0763","0.0002","90","","91.5588","0.0008","90","","4293.99","0.06","173","0.1","173","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 Ir N2 O -","- C51 H55 Ir N2 O -","- C204 H220 Ir4 N8 O4 -","4","1","","Cheung, Wai-Man; Chong, Man-Chun; Sung, Herman H.-Y.; Cheng, Shun-Cheung; Williams, Ian D.; Ko, Chi-Chiu; Leung, Wa-Hung","Synthesis, structure and reactivity of iridium complexes containing a bis-cyclometalated tridentate C^N^C ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8512","8523","10.1039/d1dt01269j","","x-ray","1.54184","CuKα","","0.0267","0.0233","","","0.0546","0.0565","","","","","","1.02","","","","has coordinates,has disorder","267145","2021-07-05","17:29:23",""
"7707521","31.0736","0.0006","31.0736","0.0006","25.0692","0.001","90","","90","","90","","24206","1.2","173","","173","","","","","","","","","5","I 4/m","-I 4","87","","","","- C288 H224 Co16 O100 S16 -","- C288 H224 Co16 O100 S16 -","- C576 H448 Co32 O200 S32 -","2","0.125","","Jin, Yao; Jiang, Hong; Tang, Xianhui; Zhang, Wenqiang; Liu, Yan; Cui, Yong","Coordination-driven self-assembly of anthraquinone-based metal-organic cages for photocatalytic selective [2 + 2] cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8533","8539","10.1039/d1dt00652e","","","1.54178","CuKα","","0.1283","0.0924","","","0.2524","0.2853","","","","","","1.073","","","","has coordinates,has disorder","267135","2021-07-05","17:25:58",""
"7707522","28.353","0.006","31.497","0.006","37.991","0.008","97.01","0.03","96.18","0.03","95.09","0.03","33299","12","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C864 H672 Co48 O300 S48 -","- C864 H672 Co48 O300 S48 -","- C864 H672 Co48 O300 S48 -","1","0.5","","Jin, Yao; Jiang, Hong; Tang, Xianhui; Zhang, Wenqiang; Liu, Yan; Cui, Yong","Coordination-driven self-assembly of anthraquinone-based metal-organic cages for photocatalytic selective [2 + 2] cycloaddition.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8533","8539","10.1039/d1dt00652e","","","0.71073","synchrotron","","0.1126","0.1068","","","0.3788","0.3993","","","","","","1.024","","","","has coordinates","267135","2021-07-05","17:25:58",""
"7707523","15.056","0.012","15.53","0.013","11.876","0.011","90","","100","0.07","90","","2735","4","213","","213","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Al3 Cl12 N2 Pb -","- C10 H18 Al3 Cl12 N2 Pb -","- C40 H72 Al12 Cl48 N8 Pb4 -","4","0.5","","Wolf, Silke; Liebertseder, Mareike; Feldmann, Claus","Synthesis, structure, and photoluminesence of the chloridoaluminates [BMIm][Sn(AlCl<sub>4</sub>)<sub>3</sub>], [BMPyr][Sn(AlCl<sub>4</sub>)<sub>3</sub>], and [BMIm][Pb(AlCl<sub>4</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8549","8557","10.1039/d0dt03766d","","","0.71073","MoKα","","0.0662","0.0429","","","0.09","0.0974","","","","","","0.937","","","","has coordinates,has disorder","267134","2021-07-05","17:25:32",""
"7707524","15.1104","0.0005","15.5634","0.0004","11.9715","0.0004","90","","96.519","0.003","90","","2797.12","0.15","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H20 Al3 Cl12 N Sn -","- C9 H20 Al3 Cl12 N Sn -","- C36 H80 Al12 Cl48 N4 Sn4 -","4","0.5","","Wolf, Silke; Liebertseder, Mareike; Feldmann, Claus","Synthesis, structure, and photoluminesence of the chloridoaluminates [BMIm][Sn(AlCl<sub>4</sub>)<sub>3</sub>], [BMPyr][Sn(AlCl<sub>4</sub>)<sub>3</sub>], and [BMIm][Pb(AlCl<sub>4</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8549","8557","10.1039/d0dt03766d","","x-ray","1.34143","1.34143,GaKα","","0.0303","0.028","","","0.0759","0.0771","","","","","","1.079","","","","has coordinates,has disorder","267134","2021-07-05","17:25:32",""
"7707525","15.063","0.003","15.569","0.002","11.9859","0.0017","90","","100.182","0.012","90","","2766.6","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H15 Al3 Cl12 N2 Sn -","- C8 H15 Al3 Cl12 N2 Sn -","- C32 H60 Al12 Cl48 N8 Sn4 -","4","0.5","","Wolf, Silke; Liebertseder, Mareike; Feldmann, Claus","Synthesis, structure, and photoluminesence of the chloridoaluminates [BMIm][Sn(AlCl<sub>4</sub>)<sub>3</sub>], [BMPyr][Sn(AlCl<sub>4</sub>)<sub>3</sub>], and [BMIm][Pb(AlCl<sub>4</sub>)<sub>3</sub>].","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8549","8557","10.1039/d0dt03766d","","","0.71073","MoKα","","0.0478","0.035","","","0.0743","0.0833","","","","","","1.021","","","","has coordinates,has disorder","267134","2021-07-05","17:25:32",""
"7707526","17.497","0.003","12.705","0.002","20.349","0.004","90","","94.869","0.005","90","","4507.2","1.4","296","2","296.5","","","","","","","","","6","C 1 c 1","C -2yc","9","{[YFe(CN)6](2-PNO)5}(H2O)4,14Jul01j","","","- C36 H43 Fe N11 O9 Y -","- C36 H43 Fe N11 O9 Y -","- C144 H172 Fe4 N44 O36 Y4 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.147","0.0624","","","0.0904","0.1153","","","","","","0.999","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707527","17.322","0.0008","12.6628","0.0007","20.3253","0.001","90","","95.072","0.002","90","","4440.8","0.4","298","2","298.2","","","","","","","","","6","C 1 c 1","C -2yc","9","{[ErCo(CN)6](2-PNO)5}(H2O)4,DongXQ-15Oct28e","","","- C36 H43 Co Er N11 O9 -","- C36 H43 Co Er N11 O9 -","- C144 H172 Co4 Er4 N44 O36 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0768","0.0511","","","0.1087","0.1331","","","","","","1.067","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707528","17.458","0.003","12.706","0.002","20.304","0.004","90","","94.899","0.007","90","","4487.4","1.4","298","2","298.2","","","","","","","","","6","C 1 c 1","C -2yc","9","{[DyCo(CN)6](2-PNO)5}(H2O)4,15Sep27j","","","- C36 H43 Co Dy N11 O9 -","- C36 H43 Co Dy N11 O9 -","- C144 H172 Co4 Dy4 N44 O36 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0484","0.0353","","","0.0591","0.0627","","","","","","1.027","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707529","17.4692","0.0019","12.6996","0.0013","20.397","0.002","90","","94.93","0.005","90","","4508.4","0.8","298","2","298","","","","","","","","","6","C 1 c 1","C -2yc","9","{[ErFe(CN)6](2-PNO)5}(H2O)4,15Jan26e","","","- C36 H43 Er Fe N11 O9 -","- C36 H43 Er Fe N11 O9 -","- C144 H172 Er4 Fe4 N44 O36 -","4","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0754","0.0464","","","0.0749","0.0858","","","","","","1.034","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707530","10.4988","0.0005","10.8647","0.0005","17.5599","0.0008","90.807","0.001","93.728","0.002","99.903","0.002","1968.32","0.16","293","2","293.5","","","","","","","","","6","P -1","-P 1","2","[DyFe(CN)6](2-PNO)5, ZhangY-14Jul01l","","","- C36 H35 Dy Fe N11 O5 -","- C36 H35 Dy Fe N11 O5 -","- C72 H70 Dy2 Fe2 N22 O10 -","2","1","","Wang, Fei; Gong, Hui-Wen; Zhang, Yan; Xue, An-Qi; Zhu, Wen-Hua; Zhang, Yi-Quan; Huang, Zhen-Na; Sun, Hao-Ling; Liu, Bei; Fang, Yue-Yi; Gao, Song","The comparative studies on the magnetic relaxation behaviour of the axially-elongated pentagonal-bipyramidal dysprosium and erbium ions in similar one-dimensional chain structures.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8736","8745","10.1039/d1dt00944c","","","0.71073","MoKα","","0.0747","0.0443","","","0.0899","0.1015","","","","","","1.011","","","","has coordinates","267181","2021-07-05","17:39:37",""
"7707531","22.1561","0.0001","18.9237","0.0001","19.3441","0.0001","90","","90","","90","","8110.51","0.07","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C23 H60 Eu N6 O23.5 Pt -","- C23 H60 Eu N6 O23.5 Pt -","- C184 H480 Eu8 N48 O188 Pt8 -","8","1","","Yao, Kezi; Karunanithy, Gogulan; Howarth, Alison; Holdship, Philip; Thompson, Amber L.; Christensen, Kirsten E.; Baldwin, Andrew J.; Faulkner, Stephen; Farrer, Nicola J.","Cell-permeable lanthanide-platinum(IV) anti-cancer prodrugs.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8761","8767","10.1039/d1dt01688a","","","1.54184","CuKα","","0.0869","0.0853","","0.2057","0.2","0.2057","","","","","","0.9995","","","","has coordinates,has disorder","267176","2021-07-05","17:38:31",""
"7707532","7.1804","0.0003","18.1579","0.0008","14.8582","0.0007","90","","97.719","0.002","90","","1919.67","0.15","213","2","213","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 Cl F2 N2 Pt -","- C23 H19 Cl F2 N2 Pt -","- C92 H76 Cl4 F8 N8 Pt4 -","4","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","0.71073","MoKα","","0.0347","0.0297","","","0.0681","0.0702","","","","","","0.89","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707533","10.0122","0.0003","13.875","0.0004","27.4999","0.001","90","","90","","90","","3820.3","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 Pt -","- C23 H20 Cl F N2 Pt -","- C184 H160 Cl8 F8 N16 Pt8 -","8","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","0.71073","MoKα","","0.0347","0.0288","","","0.0494","0.0517","","","","","","1.033","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707534","7.1424","0.0005","9.1357","0.0009","18.4824","0.0014","96.097","0.008","100.086","0.006","92.237","0.007","1178.59","0.17","298","2","298","2","","","","","","","","6","P 1","P 1","1","","","","- C24 H22 Cl3 F N2 Pt -","- C24 H22 Cl3 F N2 Pt -","- C48 H44 Cl6 F2 N4 Pt2 -","2","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","x-ray","0.71073","MoKα","","0.1002","0.0792","","","0.2133","0.2332","","","","","","1.055","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707535","7.1917","0.0007","18.1841","0.0017","14.8761","0.0014","90","","99.525","0.005","90","","1918.6","0.3","193","2","193.01","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl F N2 Pt -","- C23 H20 Cl F N2 Pt -","- C92 H80 Cl4 F4 N8 Pt4 -","4","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","1.34139","GaKα","","0.0786","0.0697","","","0.1833","0.1927","","","","","","1.09","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707536","9.3078","0.0006","13.984","0.001","20.3736","0.0016","74.719","0.006","77.334","0.006","89.414","0.006","2492.6","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C23.94 H20.94 Cl3.81 F N2 Pt -","- C23.9375 H20.9375 Cl3.8125 F N2 Pt -","- C95.75 H83.75 Cl15.25 F4 N8 Pt4 -","4","4","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","0.71073","MoKα","","0.1198","0.0657","","","0.1385","0.1528","","","","","","0.882","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707537","8.785","0.006","13.001","0.009","14.593","0.01","90","","90","","90","","1667","2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- B8 Cs3 N O16 -","- B8 Cs3 N O16 -","- B32 Cs12 N4 O64 -","4","1","","Chen, Zilong; Wu, Chengfa; Zeng, Hao; Yu, Feng","A new acentric borate-nitrate Cs<sub>3</sub>B<sub>8</sub>O<sub>13</sub>(NO<sub>3</sub>) with interpenetrating porous 3D covalent and ionic lattices.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8676","8679","10.1039/d1dt01275d","","","0.71073","MoKα","","0.0751","0.0475","","","0.0829","0.0943","","","","","","0.944","","","","has coordinates","267169","2021-07-05","17:37:07",""
"7707538","10.3183","0.0005","14.3647","0.0008","15.5865","0.0008","110.168","0.004","101.993","0.004","103.328","0.004","2003.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 N2 O4 P2 Zn -","- C48 H36 N2 O4 P2 Zn -","- C96 H72 N4 O8 P4 Zn2 -","2","1","","Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W.","Nonanuclear zinc-gold [Zn<sub>3</sub>Au<sub>6</sub>] heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8558","8566","10.1039/d1dt01396c","","x-ray","0.71073","MoKα","","0.0403","0.0303","","","0.0785","0.0819","","","","","","1.043","","","","has coordinates","267137","2021-07-05","17:26:20",""
"7707539","26.0998","0.0008","17.2345","0.0004","7.9957","0.0002","90","","90","","90","","3596.6","0.16","100","","100","","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C40 H36 N2 O4 P2 Zn -","- C40 H36 N2 O4 P2 Zn -","- C160 H144 N8 O16 P8 Zn4 -","4","0.5","","Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W.","Nonanuclear zinc-gold [Zn<sub>3</sub>Au<sub>6</sub>] heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8558","8566","10.1039/d1dt01396c","","x-ray","0.71073","MoKα","","0.0382","0.0351","","","0.0929","0.0951","","","","","","1.017","","","","has coordinates","267137","2021-07-05","17:26:21",""
"7707540","11.1558","0.0005","17.0682","0.0007","19.4466","0.0008","67.913","0.003","84.83","0.003","83.908","0.003","3406.6","0.3","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C134 H100 Au6 Cl6 N4 O12 P6 Zn3 -","- C134 H100 Au6 Cl6 N4 O12 P6 Zn3 -","- C134 H100 Au6 Cl6 N4 O12 P6 Zn3 -","1","0.5","","Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W.","Nonanuclear zinc-gold [Zn<sub>3</sub>Au<sub>6</sub>] heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8558","8566","10.1039/d1dt01396c","","x-ray","0.71073","MoKα","","0.0702","0.0591","","","0.1581","0.1651","","","","","","1.045","","","","has coordinates,has disorder","267137","2021-07-05","17:26:21",""
"7707541","13.2692","0.0003","16.5355","0.0003","16.8719","0.0003","106.06","0.002","104.914","0.002","104.036","0.002","3235.46","0.14","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C110 H100 Au6 Cl6 N4 O12 P6 Zn3 -","- C110 H100 Au6 Cl6 N4 O12 P6 Zn3 -","- C110 H100 Au6 Cl6 N4 O12 P6 Zn3 -","1","0.5","","Yadav, Ravi; Dahlen, Milena; Singh, Akhil K.; Sun, Xiaofei; Gamer, Michael T.; Roesky, Peter W.","Nonanuclear zinc-gold [Zn<sub>3</sub>Au<sub>6</sub>] heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8558","8566","10.1039/d1dt01396c","","","1.34143","GaKα","","0.0422","0.0399","","","0.1157","0.1175","","","","","","1.059","","","","has coordinates","267137","2021-07-05","17:26:21",""
"7707542","15.6937","0.0013","16.167","0.0013","17.3817","0.0015","78.765","0.004","81.283","0.004","82.367","0.004","4251.3","0.6","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H42 Co2 F4 N4 O9 -","- C72 H42 Co2 F4 N4 O9 -","- C144 H84 Co4 F8 N8 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.1926","0.1312","","","0.3543","0.3962","","","","","","1.006","","","","has coordinates,has disorder","268764","2021-09-06","11:12:08",""
"7707543","15.666","0.0006","16.2798","0.0007","17.3799","0.0007","78.356","0.001","87.578","0.001","86.226","0.002","4330","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H48 Co2 N6 O9 -","- C72 H48 Co2 N6 O9 -","- C144 H96 Co4 N12 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.0781","0.0654","","","0.2069","0.2185","","","","","","1.042","","","","has coordinates,has disorder","268764","2021-09-06","11:12:09",""
"7707544","15.6982","0.0012","16.1863","0.0012","17.4056","0.0013","78.553","0.003","85.24","0.003","83.272","0.003","4296.8","0.6","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Co2 F2 N4 O9 -","- C72 H44 Co2 F2 N4 O9 -","- C144 H88 Co4 F4 N8 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.0917","0.0755","","","0.2349","0.2486","","","","","","1.023","","","","has coordinates,has disorder","268764","2021-09-06","11:12:09",""
"7707545","15.6045","0.0005","16.0443","0.0005","17.3893","0.0005","78.789","0.001","80.468","0.001","80.054","0.001","4166.9","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H44 Co2 N6 O9 -","- C70 H44 Co2 N6 O9 -","- C140 H88 Co4 N12 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.0567","0.0457","","","0.1262","0.132","","","","","","1.046","","","","has coordinates","268764","2021-09-06","11:12:09",""
"7707546","15.547","0.0005","16.0134","0.0005","17.4005","0.0006","78.694","0.002","81.974","0.001","79.527","0.001","4152.8","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H42 Co2 N8 O9 -","- C68 H42 Co2 N8 O9 -","- C136 H84 Co4 N16 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.0542","0.0431","","","0.114","0.1192","","","","","","1.032","","","","has coordinates","268764","2021-09-06","11:12:09",""
"7707547","15.6949","0.0007","16.2787","0.0007","17.4503","0.0008","78.711","0.002","80.29","0.002","72.523","0.002","4141.5","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H46 Co2 N4 O9 -","- C72 H46 Co2 N4 O9 -","- C144 H92 Co4 N8 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.087","0.0728","","","0.2005","0.2133","","","","","","1.042","","","","has coordinates","268764","2021-09-06","11:12:09",""
"7707548","15.7015","0.0012","16.059","0.0012","17.3895","0.0011","78.572","0.006","84.677","0.007","83.611","0.005","4259.9","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H42 Co2 F4 N4 O9 -","- C72 H42 Co2 F4 N4 O9 -","- C144 H84 Co4 F8 N8 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.0621","0.0535","","","0.1746","0.1824","","","","","","1.074","","","","has coordinates,has disorder","268764","2021-09-06","11:12:09",""
"7707549","15.479","0.002","16.172","0.003","17.414","0.003","78.489","0.013","84.732","0.011","82.848","0.011","4228.2","1.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H42 Co2 N8 O9 -","- C68 H42 Co2 N8 O9 -","- C136 H84 Co4 N16 O18 -","2","1","","Gao, Xiang-Jing; Zheng, He-Gen","The difference in the CO<sub>2</sub> adsorption capacities of different functionalized pillar-layered metal-organic frameworks (MOFs).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9310","9316","10.1039/d1dt00498k","","","1.34139","GaKα","","0.0911","0.0769","","","0.2318","0.2457","","","","","","1.033","","","","has coordinates,has disorder","268764","2021-09-06","11:12:09",""
"7707550","22.0606","0.00016","33.26103","0.00018","28.1751","0.0002","90","","111.471","0.0009","90","","19239","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C199.28 H253.41 N10.14 Na O19 Sc4 -","- C199.276 H253.414 N10.138 Na O19 Sc4 -","- C797.104 H1013.66 N40.552 Na4 O76 Sc16 -","4","1","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54178","CuKα","","0.0866","0.0659","","","0.1832","0.2019","","","","","","1.023","","","","has coordinates,has disorder","267138","2021-07-05","17:27:07",""
"7707551","12.72128","0.00015","13.4172","0.0002","19.4141","0.0003","103.361","0.0014","107.494","0.0012","101.431","0.0014","2944.19","0.08","99.9","0.7","99.9","0.7","","","","","","","","5","P -1","-P 1","2","","","","- C100 H140 O16 S6 Sc4 -","- C100 H140 O16 S6 Sc4 -","- C100 H140 O16 S6 Sc4 -","1","0.5","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","x-ray","1.54178","CuKα","","0.0413","0.0392","","","0.1079","0.1099","","","","","","1.079","","","","has coordinates,has disorder","267138","2021-07-05","17:27:08",""
"7707552","22.5075","0.001","20.183","0.0011","32.9663","0.0019","90","","90","","90","","14975.6","1.4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C288 H348 N13 Na O26 Sc8 -","- C288 H348 N13 Na O26 Sc8 -","- C576 H696 N26 Na2 O52 Sc16 -","2","0.5","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54178","CuKα","","0.1528","0.0927","","","0.2276","0.2804","","","","","","0.995","","","","has coordinates","267138","2021-07-05","17:27:08",""
"7707553","14.2475","0.0003","17.6138","0.0002","18.6288","0.0004","113.082","0.002","100.137","0.002","108.059","0.002","3844.96","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H206 N14 O16 Sc4 -","- C160 H206 N14 O16 Sc4 -","- C160 H206 N14 O16 Sc4 -","1","0.5","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54184","CuKα","","0.0848","0.0816","","","0.2233","0.2263","","","","","","1.054","","","","has coordinates,has disorder","267138","2021-07-05","17:27:08",""
"7707554","16.60531","0.00016","16.72546","0.00015","19.20582","0.00012","84.7397","0.0006","73.4252","0.0007","63.7025","0.0009","4579.57","0.08","99.9","0.6","99.9","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C154 H216 O22 S8 Sc4 -","- C154 H216 O22 S8 Sc4 -","- C154 H216 O22 S8 Sc4 -","1","0.5","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","x-ray","1.54184","CuKα","","0.0531","0.0517","","","0.1367","0.1377","","","","","","1.032","","","","has coordinates,has disorder","267138","2021-07-05","17:27:08",""
"7707555","16.6936","0.0002","18.2801","0.0003","37.5436","0.0006","101.976","0.0013","90.0656","0.0013","110.822","0.0013","10440.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H143.5 N4.5 O11.5 S3.5 Sc -","- C97 H131.5 N1.5 O11 S3 Sc -","- C388 H526 N6 O44 S12 Sc4 -","4","2","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54184","CuKα","","0.1125","0.0757","","","0.2103","0.2354","","","","","","1.073","","","","has coordinates,has disorder","267138","2021-07-05","17:27:08",""
"7707556","17.3731","0.0005","18.3311","0.0005","33.3576","0.0007","90.199","0.002","91.063","0.002","90.255","0.002","10621.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C198 H241 N11 O24 Sc8 -","- C198 H241 N11 O24 Sc8 -","- C396 H482 N22 O48 Sc16 -","2","1","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54178","CuKα","","0.1404","0.0846","","","0.2126","0.2393","","","","","","0.936","","","","has coordinates,has disorder","267138","2021-07-05","17:27:08",""
"7707557","17.3399","0.0012","40.5252","0.0016","22.5953","0.001","90","","109.804","0.006","90","","14938.7","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C146 H177 N7 Na O13 Sc4 -","- C146 H171 N7 Na O13 Sc4 -","- C584 H684 N28 Na4 O52 Sc16 -","4","1","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","1.54184","CuKα","","0.1631","0.1124","","","0.3189","0.3559","","","","","","1.328","","","","has coordinates","267138","2021-07-05","17:27:08",""
"7707558","37.2622","0.0014","21.2546","0.0009","37.6585","0.0017","90","","106.414","0.004","90","","28610","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C282 H338 N10 O32 Sc9 -","- C282 H338 N10 O32 Sc9 -","- C1128 H1352 N40 O128 Sc36 -","4","0.5","","Alshamrani, Abdullah Fahad A.; Santoro, Orlando; Prior, Timothy J.; Alamri, Mohammed A.; Stasiuk, Graeme J.; Elsegood, Mark R. J.; Redshaw, Carl","Scandium calix[<i>n</i>]arenes (<i>n</i> = 4, 6, 8): structural, cytotoxicity and ring opening polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8302","8306","10.1039/d1dt01330k","","","0.71075","MoKα","","0.1086","0.0825","","","0.2054","0.2201","","","","","","1.044","","","","has coordinates,has disorder","267138","2021-07-05","17:27:08",""
"7707559","12.8565","0.0011","12.8565","0.0011","12.8565","0.0011","90","","90","","90","","2125","0.3","363","0.1","363","0.1","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C10 H26 Cl6 N2 O V -","- C9.0072 H25.02 Cl6.0048 N2.0016 O0.9984 V0.9984 -","- C36.0288 H100.08 Cl24.0192 N8.0064 O3.9936 V3.9936 -","4","0.0208333","","Kong, Qing-Rong; Wang, Bin; Liu, Xiao-Lin; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","A polar oxyhalogen-vanadate compound (C<sub>5</sub>NH<sub>13</sub>Cl)<sub>2</sub>VOCl<sub>4</sub> with optical and two-staged dielectric switch behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9293","9297","10.1039/d1dt01241j","","x-ray","1.54184","CuKα","","0.0964","0.0623","","","0.1415","0.2389","","","","","","1.183","","","","has coordinates,has disorder","268767","2021-09-06","11:13:10",""
"7707560","8.7514","0.0001","9.0408","0.0001","12.5409","0.0002","90","","95.965","0.001","90","","986.86","0.02","200","0.1","200","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H26 Cl6 N2 O V -","- C10 H26 Cl6 N2 O V -","- C20 H52 Cl12 N4 O2 V2 -","2","1","","Kong, Qing-Rong; Wang, Bin; Liu, Xiao-Lin; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","A polar oxyhalogen-vanadate compound (C<sub>5</sub>NH<sub>13</sub>Cl)<sub>2</sub>VOCl<sub>4</sub> with optical and two-staged dielectric switch behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9293","9297","10.1039/d1dt01241j","","x-ray","1.54184","CuKα","","0.0444","0.0423","","","0.1108","0.1124","","","","","","1.056","","","","has coordinates","268767","2021-09-06","11:13:10",""
"7707561","8.7533","0.0004","9.0953","0.0004","12.7626","0.0006","90","","95.135","0.004","90","","1012","0.08","300","0.11","300","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 Cl6 N2 O V -","- C10 H26 Cl6 N2 O V -","- C20 H52 Cl12 N4 O2 V2 -","2","0.5","","Kong, Qing-Rong; Wang, Bin; Liu, Xiao-Lin; Zhao, Hai-Xia; Long, La-Sheng; Zheng, Lan-Sun","A polar oxyhalogen-vanadate compound (C<sub>5</sub>NH<sub>13</sub>Cl)<sub>2</sub>VOCl<sub>4</sub> with optical and two-staged dielectric switch behavior.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9293","9297","10.1039/d1dt01241j","","x-ray","1.54184","CuKα","","0.0878","0.0758","","","0.2182","0.2326","","","","","","1.131","","","","has coordinates,has disorder","268767","2021-09-06","11:13:10",""
"7707562","10.661","0.005","11.254","0.006","15.836","0.007","100.225","0.005","90.827","0.006","112.35","0.006","1722.3","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Cl2 F12 N8 O Ru2 -","- C27 H22 Cl2 F12 N8 O Ru2 -","- C54 H44 Cl4 F24 N16 O2 Ru4 -","2","1","","Kataoka, Yusuke; Imasaki, Nanako; Yano, Natsumi; Mitsumi, Minoru; Handa, Makoto","Redox-triggered reversible modulation of intense near-infrared and visible absorption using a paddlewheel-type diruthenium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9547","9553","10.1039/d1dt01681d","","","0.71075","MoKα","","0.0788","0.0605","","","0.138","0.1574","","","","","","0.973","","","","has coordinates","268724","2021-09-06","10:59:14",""
"7707563","14.0204","0.0005","10.3722","0.0004","16.8406","0.0006","90","","96.297","0.003","90","","2434.22","0.16","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Cl2 Co F12 N8 Ru2 -","- C44 H46 Cl2 Co F12 N8 Ru2 -","- C88 H92 Cl4 Co2 F24 N16 Ru4 -","2","0.5","","Kataoka, Yusuke; Imasaki, Nanako; Yano, Natsumi; Mitsumi, Minoru; Handa, Makoto","Redox-triggered reversible modulation of intense near-infrared and visible absorption using a paddlewheel-type diruthenium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9547","9553","10.1039/d1dt01681d","","","0.71075","MoKα","","0.084","0.0799","","","0.1883","0.1898","","","","","","1.358","","","","has coordinates","268724","2021-09-06","10:59:14",""
"7707564","10.0358","0.0005","16.7175","0.0008","19.5909","0.001","76.38","0.002","79.745","0.002","78.049","0.002","3096.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H112 N4 O8 Ru4 -","- C104 H112 N4 O8 Ru4 -","- C104 H112 N4 O8 Ru4 -","1","0.5","","Yan, Ming-Jie; Liu, Tian-Fu; Huang, Sheng-Li; Yang, Guo-Yu","Bis(β-diketone)-based metallacycles with haloalkane-induced fluorescence enhancement.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8680","8684","10.1039/d1dt01580j","","","0.71073","MoKα","","0.0818","0.0562","","","0.1495","0.1603","","","","","","1.018","","","","has coordinates","267171","2021-07-05","17:37:24",""
"7707565","8.79","0.0001","13.13","0.0002","17.9482","0.0002","90","","90","","90","","2071.45","0.05","93.15","","93.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl N4 Rh -","- C20 H30 Cl N4 Rh -","- C80 H120 Cl4 N16 Rh4 -","4","1","","Pal, Shrinwantu; Iwasaki, Takanori; Nozaki, Kyoko","Metal-ligand cooperative κ<sup>1</sup>-<i>N</i>-pyrazolate Cp*Rh<sup>III</sup>-catalysts for dehydrogenation of dimethylamine-borane at room temperature.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7938","7943","10.1039/d1dt01705e","","x-ray","0.71073","MoKα","","0.0186","0.0185","","","0.0493","0.0493","","","","","","1.07","","","","has coordinates","267202","2021-07-05","17:45:35",""
"7707566","15.0938","0.0002","8.8182","0.0001","16.1353","0.0002","90","","109.242","0.002","90","","2027.63","0.05","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 Cl N2 P Rh -","- C18 H31 Cl N2 P Rh -","- C72 H124 Cl4 N8 P4 Rh4 -","4","1","","Pal, Shrinwantu; Iwasaki, Takanori; Nozaki, Kyoko","Metal-ligand cooperative κ<sup>1</sup>-<i>N</i>-pyrazolate Cp*Rh<sup>III</sup>-catalysts for dehydrogenation of dimethylamine-borane at room temperature.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7938","7943","10.1039/d1dt01705e","","x-ray","0.71073","MoKα","","0.0263","0.023","","","0.0555","0.0572","","","","","","1.04","","","","has coordinates","267202","2021-07-05","17:45:35",""
"7707567","10.284","0.002","11.994","0.002","13.416","0.003","78.78","0.03","75.53","0.03","65.58","0.03","1451.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Cl4 Cu4 I4 N4 S4 -","- C54 H52 Cl4 Cu4 I4 N4 S4 -","- C54 H52 Cl4 Cu4 I4 N4 S4 -","1","0.5","","Jiang, Cheng-Gang; Yuan, Yan-Fang; Meng, Xiao-Yu; Zhou, Ke-Ke; Zhuang, Gui-Lin; Li, Bao; Zhang, Tianle","Thermally induced transformation of a Cu<sub>4</sub>I<sub>4</sub>-based cluster to a Cu<sub>2</sub>I<sub>2</sub>-based cluster under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9016","9020","10.1039/d1dt01527c","","","0.71073","MoKα","","0.0525","0.0525","","","0.1574","0.1574","","","","","","1.001","","","","has coordinates","268757","2021-09-06","11:10:03",""
"7707568","10.031","0.0009","10.9399","0.001","14.234","0.0012","85.488","0.002","70.252","0.002","73.99","0.002","1412.9","0.2","296","2","296.6","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 Cu4 I4 N4 S4 -","- C52 H48 Cu4 I4 N4 S4 -","- C52 H48 Cu4 I4 N4 S4 -","1","0.5","","Jiang, Cheng-Gang; Yuan, Yan-Fang; Meng, Xiao-Yu; Zhou, Ke-Ke; Zhuang, Gui-Lin; Li, Bao; Zhang, Tianle","Thermally induced transformation of a Cu<sub>4</sub>I<sub>4</sub>-based cluster to a Cu<sub>2</sub>I<sub>2</sub>-based cluster under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9016","9020","10.1039/d1dt01527c","","","0.71073","MoKα","","0.0333","0.0244","","","0.0532","0.0567","","","","","","1.028","","","","has coordinates","268757","2021-09-06","11:10:04",""
"7707569","12.863","0.004","13.581","0.005","16.539","0.006","70.105","0.011","79.2","0.012","76.778","0.009","2625.8","1.6","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C53 H77 N3 Pb Si2 -","- C53 H77 N3 Pb Si2 -","- C106 H154 N6 Pb2 Si4 -","2","1","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.0665","0.0471","","","0.1012","0.11","","","","","","1.019","","","","has coordinates,has disorder","268769","2021-09-06","11:13:44",""
"7707570","13.3032","0.0015","14.2322","0.0017","24.133","0.002","90","","92.876","0.004","90","","4563.4","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 I N3 Pb -","- C46 H58 I N3 Pb -","- C184 H232 I4 N12 Pb4 -","4","1","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.0347","0.0289","","","0.0641","0.0668","","","","","","0.984","","","","has coordinates,has disorder","268769","2021-09-06","11:13:45",""
"7707571","13.0544","0.0009","13.2052","0.001","13.3925","0.0008","69.237","0.002","75.073","0.002","75.456","0.003","2053","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C92 H116 F2 N6 Pb2 -","- C92 H116 F2 N6 Pb2 -","- C92 H116 F2 N6 Pb2 -","1","0.5","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.0313","0.0258","","","0.0524","0.0544","","","","","","1.065","","","","has coordinates","268769","2021-09-06","11:13:45",""
"7707572","20.2426","0.0019","10.3176","0.0012","23.505","0.003","90","","90.646","0.004","90","","4908.8","1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Br N3 Pb -","- C53 H66 Br N3 Pb -","- C212 H264 Br4 N12 Pb4 -","4","1","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.0666","0.048","","","0.1176","0.129","","","","","","0.94","","","","has coordinates","268769","2021-09-06","11:13:45",""
"7707573","12.9223","0.0007","13.4651","0.0007","16.5207","0.001","69.747","0.002","78.014","0.002","76.292","0.002","2595","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C52 H76 N4 Pb Si2 -","- C52 H76 N4 Pb Si2 -","- C104 H152 N8 Pb2 Si4 -","2","1","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.0292","0.0233","","","0.0485","0.0507","","","","","","1.015","","","","has coordinates","268769","2021-09-06","11:13:45",""
"7707574","20.1691","0.0019","10.2808","0.0011","23.564","0.002","90","","90.349","0.003","90","","4886","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H66 Cl N3 Pb -","- C53 H66 Cl N3 Pb -","- C212 H264 Cl4 N12 Pb4 -","4","1","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.0477","0.0405","","","0.119","0.1241","","","","","","1.026","","","","has coordinates","268769","2021-09-06","11:13:45",""
"7707575","29.934","0.004","13.3039","0.0013","25.126","0.003","90","","103.517","0.004","90","","9729","2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H74 Li N3 O2 -","- C54 H74 Li N3 O2 -","- C432 H592 Li8 N24 O16 -","8","2","","Chapple, Peter M.; Hamdoun, Ghanem; Roisnel, Thierry; Carpentier, Jean-François; Oulyadi, Hassan; Sarazin, Yann","Bis(imino)carbazolate lead(II) fluoride and related halides.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9021","9025","10.1039/d1dt01615f","","x-ray","0.71073","MoKα","","0.1759","0.0803","","","0.1956","0.2541","","","","","","0.995","","","","has coordinates,has disorder","268769","2021-09-06","11:13:45",""
"7707576","16.1592","0.0007","11.8097","0.0005","29.3937","0.0013","90","","100.756","0.001","90","","5510.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O12 Ru4 -","- C20 H23 N O12 Ru4 -","- C160 H184 N8 O96 Ru32 -","8","2","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0377","0.032","","","0.0659","0.0672","","","","","","1.237","","","","has coordinates","268730","2021-09-06","11:01:48",""
"7707577","14.0395","0.0009","16.7852","0.0011","21.5954","0.0014","74.768","0.002","72.962","0.002","67.148","0.002","4419.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H96 Br4 K2 N2 O32 Ru8 -","- C64 H96 Br4 K2 N2 O32 Ru8 -","- C128 H192 Br8 K4 N4 O64 Ru16 -","2","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0819","0.0696","","","0.1866","0.1918","","","","","","1.063","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707578","19.1095","0.0008","17.8113","0.0007","22.719","0.0009","90","","93.174","0.001","90","","7720.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H70 Br4 K2 N2 O33 Ru8 -","- C51 H70 Br4 K2 N2 O33 Ru8 -","- C204 H280 Br16 K8 N8 O132 Ru32 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0377","0.0286","","","0.0638","0.0656","","","","","","1.043","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707579","20.2618","0.0008","19.7427","0.0008","21.4241","0.0008","90","","109","0.001","90","","8103.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H92 Br4 N4 O30 Ru8 -","- C58 H92 Br4 N4 O30 Ru8 -","- C232 H368 Br16 N16 O120 Ru32 -","4","0.5","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0752","0.0683","","","0.1673","0.1712","","","","","","1.093","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707580","17.21","0.003","24.421","0.004","19.758","0.004","90","","90.98","0.006","90","","8303","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H84 Br5 K2 N3 O32 Ru8 -","- C56 H84 Br5 K2 N3 O32 Ru8 -","- C224 H336 Br20 K8 N12 O128 Ru32 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.1745","0.1514","","","0.3548","0.3675","","","","","","1.199","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707581","31.7547","0.0015","13.3024","0.0006","32.2056","0.0015","90","","99.623","0.002","90","","13412.7","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H36 Br4 K0.5 N1.5 O33 Ru10 -","- C39 H36 Br4 K0.5 N1.5 O33 Ru10 -","- C312 H288 Br32 K4 N12 O264 Ru80 -","8","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.061","0.0529","","","0.1095","0.1128","","","","","","1.156","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707582","13.3251","0.0005","20.1945","0.0007","13.4433","0.0005","90","","94.427","0.001","90","","3606.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N2 O12 Ru4 -","- C28 H42 N2 O12 Ru4 -","- C112 H168 N8 O48 Ru16 -","4","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0399","0.0324","","","0.0574","0.0585","","","","","","1.199","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707583","14.6311","0.0005","14.6311","0.0005","42.767","0.0016","90","","90","","90","","9155.1","0.6","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C64 H104 I4 N4 O32 Ru8 -","- C64 H104 I4 N4 O32 Ru8 -","- C256 H416 I16 N16 O128 Ru32 -","4","0.25","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.1118","0.1081","","","0.2137","0.2152","","","","","","1.375","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707584","18.2867","0.0006","18.2867","0.0006","22.1854","0.0008","90","","90","","90","","7418.9","0.4","100","2","100","2","","","","","","","","7","P 42/n m c :2","-P 4ac 2a","137","","","","- C48 H58 Cl4 K2 N8 O28 Ru8 -","- C48 H58 Cl4 K2 N8 O28 Ru8 -","- C192 H232 Cl16 K8 N32 O112 Ru32 -","4","0.25","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0347","0.029","","","0.0505","0.0518","","","","","","1.259","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707585","18.1524","0.0009","18.1524","0.0009","21.1288","0.0013","90","","90","","90","","6962.1","0.6","100","2","100","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C66 H72 Ag N4 O12 Ru4 -","- C66 H72 Ag N4 O12 Ru4 -","- C264 H288 Ag4 N16 O48 Ru16 -","4","0.25","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.1062","0.1013","","","0.1927","0.1954","","","","","","1.237","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707586","8.5369","0.0003","10.0317","0.0004","13.1229","0.0005","86.395","0.001","71.63","0.001","85.367","0.001","1062.25","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Cu N O12 Ru4 -","- C14 H6 Cu N O12 Ru4 -","- C28 H12 Cu2 N2 O24 Ru8 -","2","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0235","0.017","","","0.0388","0.0399","","","","","","1.179","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707587","13.7124","0.0012","19.7578","0.0017","17.3324","0.0015","90","","111.328","0.004","90","","4374.2","0.7","293","2","293","2","","","","","","","","7","P 1 2/m 1","-P 2y","10","","","","- C50 H42 Br2 Cu6 N2 O34 Ru12 -","- C50 H42 Br2 Cu6 N2 O34 Ru12 -","- C100 H84 Br4 Cu12 N4 O68 Ru24 -","2","0.5","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.09","0.0643","","","0.1579","0.1727","","","","","","1.082","","","","has coordinates","268730","2021-09-06","11:01:49",""
"7707588","22.849","0.006","12.166","0.003","31.936","0.01","90","","99.819","0.005","90","","8748","4","100","2","100","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C29 H44 Br2 Cl2 Cu2 N2 O12 Ru4 -","- C29 H44 Br2 Cl2 Cu2 N2 O12 Ru4 -","- C232 H352 Br16 Cl16 Cu16 N16 O96 Ru32 -","8","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.197","0.1706","","","0.394","0.4055","","","","","","1.172","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707589","12.3521","0.0004","25.1854","0.0008","43.6498","0.0015","90","","91.668","0.001","90","","13573.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Cl2 N2 O16 Ru6 -","- C34 H42 Cl2 N2 O16 Ru6 -","- C408 H504 Cl24 N24 O192 Ru72 -","12","3","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0729","0.0599","","","0.1159","0.1214","","","","","","1.142","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707590","15.5683","0.0011","17.3394","0.0013","29.112","0.002","88.836","0.003","82.133","0.003","66.55","0.002","7136.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C119 H98 Cl4 Cu6 N8 O32 Ru12 -","- C119 H98 Cl4 Cu6 N8 O32 Ru12 -","- C238 H196 Cl8 Cu12 N16 O64 Ru24 -","2","1","","Cesari, Cristiana; Bortoluzzi, Marco; Femoni, Cristina; Iapalucci, Maria Carmela; Zacchini, Stefano","One-pot atmospheric pressure synthesis of [H<sub>3</sub>Ru<sub>4</sub>(CO)<sub>12</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9610","9622","10.1039/d1dt01517f","","","0.71073","MoKα","","0.0552","0.0366","","","0.0805","0.0848","","","","","","1.037","","","","has coordinates,has disorder","268730","2021-09-06","11:01:49",""
"7707591","13.8736","0.0009","7.1949","0.0004","12.8934","0.0015","90","","90","","90","","1287.01","0.19","169.9","0.2","169.9","0.2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Fe N10 Pt -","- C8 H6 Fe N10 Pt -","- C32 H24 Fe4 N40 Pt4 -","4","0.25","","Kuzevanova, Iryna S.; Kucheriv, Olesia I.; Hiiuk, Volodymyr M.; Naumova, Dina D.; Shova, Sergiu; Shylin, Sergii I.; Kotsyubynsky, Volodymyr O.; Rotaru, Aurelian; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9250","9258","10.1039/d1dt01544c","","x-ray","0.71073","MoKα","","0.0512","0.0415","","","0.0882","0.0937","","","","","","1.114","","","","has coordinates","268772","2021-09-06","11:14:49",""
"7707592","14.3717","0.0006","7.4268","0.0003","13.1817","0.0013","90","","90","","90","","1406.96","0.16","255","0.1","255","0.1","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H6 Fe N10 Pt -","- C8 H6 Fe N10 Pt -","- C32 H24 Fe4 N40 Pt4 -","4","0.25","","Kuzevanova, Iryna S.; Kucheriv, Olesia I.; Hiiuk, Volodymyr M.; Naumova, Dina D.; Shova, Sergiu; Shylin, Sergii I.; Kotsyubynsky, Volodymyr O.; Rotaru, Aurelian; Fritsky, Igor O.; Gural'skiy, Il'ya A.","Spin crossover in iron(II) Hofmann clathrates analogues with 1,2,3-triazole.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9250","9258","10.1039/d1dt01544c","","x-ray","0.71073","MoKα","","0.0449","0.0351","","","0.0742","0.0789","","","","","","1.062","","","","has coordinates,has disorder","268772","2021-09-06","11:14:50",""
"7707593","13.861","0.003","20.5434","0.0017","23.789","0.0018","90","","90","","90","","6774","1.7","291","0.2","291","0.2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C40 H78.67 Cu4 F14 N16 O5.33 P2 -","- C40 H78.6664 Cu4 F14 N16 O5.3332 P2 -","- C160 H314.666 Cu16 F56 N64 O21.3328 P8 -","4","0.25","","Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique","Selective encapsulation of a chloride anion in a 1<i>H</i>-pyrazole Cu<sup>2+</sup> metallocage.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9010","9015","10.1039/d1dt01302e","","","0.7107","MoKα","","0.2068","0.0835","","","0.2034","0.252","","","","","","0.921","","","","has coordinates,has disorder","268768","2021-09-06","11:13:24",""
"7707594","14.34035","0.00014","18.7171","0.0002","19.8559","0.0002","90","","96.1863","0.001","90","","5298.48","0.09","123","1","123","1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H136 Br4 Cu8 N32 -","- C80 H136 Br4 Cu8 N32 -","- C160 H272 Br8 Cu16 N64 -","2","0.25","","Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique","Selective encapsulation of a chloride anion in a 1<i>H</i>-pyrazole Cu<sup>2+</sup> metallocage.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9010","9015","10.1039/d1dt01302e","","","0.71073","MoKα","","0.0519","0.0493","","","0.1402","0.1429","","","","","","1.035","","","","has coordinates,has disorder","268768","2021-09-06","11:13:25",""
"7707595","20.5739","0.0009","14.4716","0.0005","11.8083","0.0004","90","","90","","90","","3515.8","0.2","291","0.2","291","0.2","","","","","","","","7","I m m m","-I 2 2","71","","","","- C40 H60 Cl Cu5 I7 N16 O4 -","- C40 H60 Cl Cu5 I7 N16 O4 -","- C80 H120 Cl2 Cu10 I14 N32 O8 -","2","0.125","","Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique","Selective encapsulation of a chloride anion in a 1<i>H</i>-pyrazole Cu<sup>2+</sup> metallocage.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9010","9015","10.1039/d1dt01302e","","","0.71073","MoKα","","0.0904","0.0553","","","0.1623","0.1925","","","","","","1.033","","","","has coordinates,has disorder","268768","2021-09-06","11:13:25",""
"7707596","12.0598","0.0007","14.3764","0.0008","15.6936","0.0006","108.589","0.004","90.753","0.004","99.531","0.005","2537","0.2","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H74 Cl4 Cu4 N16 O3 -","- C40 H74 Cl4 Cu4 N16 O3 -","- C80 H148 Cl8 Cu8 N32 O6 -","2","1","","Pitarch-Jarque, Javier; Jiménez, Hermas R; Kalenius, Elina; Blasco, Salvador; Lopera, Alberto; Clares, M. Paz; Rissanen, Kari; García-España, Enrique","Selective encapsulation of a chloride anion in a 1<i>H</i>-pyrazole Cu<sup>2+</sup> metallocage.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9010","9015","10.1039/d1dt01302e","","","0.71073","MoKα","","0.1311","0.0607","","","0.1326","0.1755","","","","","","1.015","","","","has coordinates,has disorder","268768","2021-09-06","11:13:25",""
"7707597","10.822","0.0005","6.9216","0.0003","11.5812","0.0005","90","","90","","90","","867.5","0.07","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- B La O5 Te -","- B La O5 Te -","- B8 La8 O40 Te8 -","8","1","","Wang, Jiankang; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","LaTeBO<sub>5</sub>: a new borotellurite with a large birefringence activated by the highly distorted [Te<sup>(iv)</sup>O<sub>4</sub>] group.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12404","12407","10.1039/d1dt01639c","","","0.71073","MoKα","","0.031","0.0279","","","0.0733","0.077","","","","","","0.972","","","","has coordinates","269723","2021-10-06","15:40:26",""
"7707598","16.3772","0.0014","9.2787","0.0008","20.3648","0.0017","90","","97.732","0.003","90","","3066.5","0.5","100","2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[UO2(NCS)5](C4H12N)3","","","- C17 H36 N8 O2 S5 U -","- C17 H36 N8 O2 S5 U -","- C68 H144 N32 O8 S20 U4 -","4","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.0336","0.0231","","","0.0404","0.0429","","","","","","1.031","","","","has coordinates,has disorder","268766","2021-09-06","11:12:48",""
"7707599","30.443","0.003","7.8475","0.0008","13.5033","0.0012","90","","90","","90","","3226","0.5","100","2","100","0.2","","","","","","","","6","P n a 21","P 2c -2n","33","(C8H20N)2[UO2(NCS)4(H2O)](H2O)","","","- C20 H44 N6 O4 S4 U -","- C20 H44 N6 O4 S4 U -","- C80 H176 N24 O16 S16 U4 -","4","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.044","0.0308","","","0.057","0.0608","","","","","","0.946","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707600","13.9212","0.0007","13.2206","0.0007","34.149","0.002","90","","90","","90","","6285","0.6","100","2","100","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H36 N8 O2 S5 U -","- C17 H36 N8 O2 S5 U -","- C136 H288 N64 O16 S40 U8 -","8","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.0527","0.0409","","","0.0734","0.0774","","","","","","1.114","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707601","25.4823","0.0007","11.9115","0.0003","21.1473","0.0006","90","","114.254","0.001","90","","5852.3","0.3","100","2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Co(NCS)4](NCS)Cs3","","","- C17 Co4 Cs9 N17 S17 -","- C17 Co4 Cs9 N17 S17 -","- C68 Co16 Cs36 N68 S68 -","4","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.0289","0.0211","","","0.0426","0.0477","","","","","","1.137","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707602","16.6164","0.0005","10.7467","0.0003","16.1788","0.0005","90","","91.766","0.001","90","","2887.7","0.15","100","2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N8 O3 S5 U -","- C20 H20 N8 O3 S5 U -","- C80 H80 N32 O12 S20 U4 -","4","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.0195","0.0165","","","0.0336","0.0345","","","","","","1.048","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707603","16.8276","0.0014","14.909","0.0012","21.4545","0.0015","90","","102.888","0.003","90","","5247","0.7","100","","100","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H60 Co N14 O2 S9 U -","- C29 H60 Co N14 O2 S9 U -","- C116 H240 Co4 N56 O8 S36 U4 -","4","1","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.052","0.0379","","","0.0904","0.0973","","","","","","1.044","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707604","11.1036","0.0018","13.2845","0.0018","24.38","0.004","95.465","0.005","90.187","0.006","114.197","0.005","3261.8","0.9","100","2","100","0.2","","","","","","","","5","P -1","-P 1","2","[Co(NCS)4](C4H12N)2","","","- C12 H24 Co N6 S4 -","- C12 H24 Co N6 S4 -","- C72 H144 Co6 N36 S24 -","6","3","","Byrne, Nicole M.; Schofield, Mark H.; Nicholas, Aaron D.; Cahill, Christopher L.","Bimetallic uranyl/cobalt(II) isothiocyanates: structure, property and spectroscopic analysis of homo- and heterometallic phases.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9158","9172","10.1039/d1dt01464a","","x-ray","0.71073","MoKα","","0.0403","0.0364","","","0.0805","0.0831","","","","","","1.131","","","","has coordinates","268766","2021-09-06","11:12:49",""
"7707605","9.9056","0.0005","8.139","0.0004","10.8874","0.0005","90","","111.182","0.002","90","","818.46","0.07","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-{(E)-((R)-1-(phenyl)ethylimino)(phenyl)methyl}phenol","","- C21 H19 N O -","- C21 H19 N O -","- C42 H38 N2 O2 -","2","1","","Enamullah, Mohammed; Anwar Hossain, Mohammad; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph","Pseudotetrahedral copper(II)-complexes with enantiopure (<i>R</i> or <i>S</i>)-2-(((aryl)ethylimino)ethyl)phenolate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9236","9249","10.1039/d1dt01671g","","","1.54178","CuKα","","0.0261","0.0258","","","0.0658","0.066","","","","","","1.037","","","","has coordinates","268773","2021-09-06","11:14:59",""
"7707606","18.4742","0.0015","5.8299","0.0005","19.8803","0.0017","90","","113.803","0.004","90","","1959","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis[2-oxo-benzophenonato-κO,O']-copper(II)","","- C26 H18.88 Cu N0.88 O3.12 -","- C26 H18.88 Cu N0.88 O3.12 -","- C104 H75.52 Cu4 N3.52 O12.48 -","4","0.5","","Enamullah, Mohammed; Anwar Hossain, Mohammad; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph","Pseudotetrahedral copper(II)-complexes with enantiopure (<i>R</i> or <i>S</i>)-2-(((aryl)ethylimino)ethyl)phenolate Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9236","9249","10.1039/d1dt01671g","","","0.71073","MoKα","","0.0463","0.0376","","","0.1039","0.1093","","","","","","1.053","","","","has coordinates,has disorder","268773","2021-09-06","11:15:00",""
"7707607","5.30221","0.00008","10.9571","0.0002","5.07411","0.00009","90","","94.5622","0.0013","90","","293.856","0.009","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Ho Nb O4 -","- Ho Nb O4 -","- Ho4 Nb4 O16 -","4","0.5","","Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.","Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9103","9117","10.1039/d1dt01051d","powder diffraction","neutron","1.622","","","","","","","","","0.03012","","1.33","","","","","","","has coordinates","268760","2021-09-06","11:10:59",""
"7707608","5.1145","0.00015","5.45546","0.00016","5.30199","0.00013","90","","96.4704","0.0021","90","","146.994","0.007","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- Ho O4 Ta -","- Ho O4 Ta -","- Ho2 O8 Ta2 -","2","0.5","","Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.","Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9103","9117","10.1039/d1dt01051d","powder diffraction","neutron","1.622","","","","","","","","","0.04999","","1.59","","","","","","","has coordinates","268760","2021-09-06","11:11:01",""
"7707609","5.420642","0.000006","11.175429","0.000014","5.119937","0.000006","90","","94.6778","0.0001","90","","309.122","0.0006","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nb O4 Sm -","- Nb O4 Sm -","- Nb4 O16 Sm4 -","4","0.5","","Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.","Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9103","9117","10.1039/d1dt01051d","powder diffraction","x-ray","0.687514","","","","","","","","","0.04827","","3.6","","","","","","","has coordinates","268760","2021-09-06","11:11:01",""
"7707610","7.9765","0.001","12.1182","0.0016","15.347","0.002","111.399","0.005","103.493","0.005","91.681","0.005","1332.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H92 Ge2 N4 Si4 -","- C48 H92 Ge2 N4 Si4 -","- C48 H92 Ge2 N4 Si4 -","1","0.5","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.0679","0.0567","","","0.1425","0.1493","","","","","","1.122","","","","has coordinates","268759","2021-09-06","11:10:38",""
"7707611","16.0278","0.0002","18.3288","0.0002","18.205","0.0002","90","","91.269","0.001","90","","5346.78","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 N4 O -","- C62 H76 N4 O -","- C248 H304 N16 O4 -","4","1","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","1.54184","CuKα","","0.0701","0.0631","","","0.1694","0.1737","","","","","","1.06","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707612","11.3242","0.0002","15.1015","0.0003","19.8014","0.0004","90","","95.415","0.002","90","","3371.17","0.11","123","2","123","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C86 H86 N4 -","- C86 H86 N4 -","- C172 H172 N8 -","2","0.5","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","1.54184","CuKα","","0.0754","0.0661","","","0.1843","0.1924","","","","","","1.072","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707613","30.4822","0.0013","18.7316","0.0003","31.0548","0.001","90","","118.703","0.005","90","","15552.8","1.1","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72.5 H98.5 Cl2 Ge2 N4 O -","- C72.5 H98.5 Cl2 Ge2 N4 O -","- C580 H788 Cl16 Ge16 N32 O8 -","8","1","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.0771","0.0598","","","0.1736","0.186","","","","","","1.067","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707614","7.9922","0.0004","12.3215","0.0006","15.2347","0.0008","111.324","0.001","104.169","0.001","90.326","0.001","1347.56","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H92 N4 Si4 Sn2 -","- C48 H92 N4 Si4 Sn2 -","- C48 H92 N4 Si4 Sn2 -","1","0.5","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.0242","0.0205","","","0.0441","0.0456","","","","","","1.037","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707615","14.8476","0.0006","9.5319","0.0003","19.2672","0.0006","90","","97.133","0.003","90","","2705.7","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H92 N4 Si4 Sn2 -","- C48 H92 N4 Si4 Sn2 -","- C96 H184 N8 Si8 Sn4 -","2","0.5","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.0904","0.0781","","","0.2033","0.2152","","","","","","1.041","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707616","14.8934","0.0007","9.6017","0.0004","18.8362","0.0008","90","","96.359","0.004","90","","2677","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H92 Ge2 N4 Si4 -","- C48 H92 Ge2 N4 Si4 -","- C96 H184 Ge4 N8 Si8 -","2","0.5","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.0742","0.0553","","","0.1391","0.1504","","","","","","1.029","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707617","8.5033","0.0001","24.7877","0.0002","10.0029","0.0001","90","","96.96","0.001","90","","2092.85","0.04","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 Si2 -","- C22 H28 N2 Si2 -","- C88 H112 N8 Si8 -","4","1","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","1.54184","CuKα","","0.0373","0.0365","","","0.0991","0.0996","","","","","","1.053","","","","has coordinates","268759","2021-09-06","11:10:39",""
"7707618","14.046","0.0005","14.8866","0.0004","19.4437","0.0005","74.136","0.002","87.081","0.002","79.413","0.003","3844.2","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C80.75 H99 Br2 N4 O Sn2 -","- C80.75 H99 Br2 N4 O Sn2 -","- C161.5 H198 Br4 N8 O2 Sn4 -","2","1","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.0826","0.0494","","","0.1138","0.1288","","","","","","1.022","","","","has coordinates,has disorder","268759","2021-09-06","11:10:39",""
"7707619","14.6822","0.0004","15.1015","0.0003","19.6211","0.0004","108.178","0.002","95.271","0.002","93.182","0.002","4099.53","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C195.5 H196 Ge2 N8 -","- C195.5 H196 Ge2 N8 -","- C195.5 H196 Ge2 N8 -","1","0.5","","Garg, Palak; Dange, Deepak; Jones, Cameron","Bulky arene-bridged bis(amide) and bis(amidinate) complexes of germanium(II) and tin(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9118","9122","10.1039/d1dt01642c","","","0.71073","MoKα","","0.1057","0.0763","","","0.2024","0.221","","","","","","1.031","","","","has coordinates,has disorder","268759","2021-09-06","11:10:39",""
"7707620","20.1606","0.0004","30.2161","0.0006","23.2154","0.0016","90","","102.336","0.007","90","","13815.7","1.1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C146 H200 N17 O17 S Tb -","- C146 H200 N17 O17 S Tb -","- C584 H800 N68 O68 S4 Tb4 -","4","1","","Horii, Yoji; Damjanović, Marko; Katoh, Keiichi; Yamashita, Masahiro","Structural, magnetic and theoretical analyses of anionic and cationic phthalocyaninato-terbium(III) double-decker complexes: magnetic relaxation <i>via</i> higher ligand-field sublevels enhanced by oxidation.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9719","9724","10.1039/d1dt00775k","","","0.71075","MoKα","","0.1353","0.0829","","","0.1877","0.2092","","","","","","1.078","","","","has coordinates","268708","2021-09-06","10:53:35",""
"7707621","16.3767","0.0002","24.6005","0.0003","24.8548","0.0002","65.8","0.001","78.638","0.001","80.674","0.001","8917.33","0.19","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C191 H232 Cl6 N16 O16 Sb Tb -","- C191 H230 Cl5.996 N16 O16 Sb Tb -","- C382 H460 Cl11.992 N32 O32 Sb2 Tb2 -","2","1","","Horii, Yoji; Damjanović, Marko; Katoh, Keiichi; Yamashita, Masahiro","Structural, magnetic and theoretical analyses of anionic and cationic phthalocyaninato-terbium(III) double-decker complexes: magnetic relaxation <i>via</i> higher ligand-field sublevels enhanced by oxidation.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9719","9724","10.1039/d1dt00775k","","","0.71073","MoKα","","0.0656","0.0508","","","0.1191","0.1266","","","","","","1.018","","","","has coordinates,has disorder","268708","2021-09-06","10:53:36",""
"7707622","20.6206","0.0004","30.5969","0.0005","23.4609","0.0005","90","","101.534","0.002","90","","14503.2","0.5","263","","263","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H196 N17 O16 Tb -","- C144 H196 N17 O16 Tb -","- C576 H784 N68 O64 Tb4 -","4","1","","Horii, Yoji; Damjanović, Marko; Katoh, Keiichi; Yamashita, Masahiro","Structural, magnetic and theoretical analyses of anionic and cationic phthalocyaninato-terbium(III) double-decker complexes: magnetic relaxation <i>via</i> higher ligand-field sublevels enhanced by oxidation.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9719","9724","10.1039/d1dt00775k","","","0.71073","MoKα","","0.093","0.0608","","","0.1487","0.1688","","","","","","1.034","","","","has coordinates,has disorder","268708","2021-09-06","10:53:36",""
"7707623","9.7437","0.0015","11.8254","0.0018","12.179","0.002","69.555","0.006","78.281","0.006","85.484","0.006","1287.5","0.4","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cl12 Cu2 N12 O2 -","- C36 H52 Cl12 Cu2 N12 O2 -","- C36 H52 Cl12 Cu2 N12 O2 -","1","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.067","0.0612","","","0.1652","0.1694","","","","","","1.057","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707624","8.4596","0.0007","11.5717","0.0009","15.0481","0.0012","72.379","0.003","86.528","0.003","71.53","0.003","1330.63","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H56 Cl8 N12 Ni2 O2 -","- C34 H56 Cl8 N12 Ni2 O2 -","- C34 H56 Cl8 N12 Ni2 O2 -","1","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0437","0.0374","","","0.1145","0.118","","","","","","1.103","","","","has coordinates,has disorder","268722","2021-09-06","10:58:31",""
"7707625","12.7604","0.001","13.8481","0.0013","16.4023","0.0014","90","","109.778","0.003","90","","2727.4","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Cl12 Cu2 N12 O2 -","- C36 H60 Cl12 Cu2 N12 O2 -","- C72 H120 Cl24 Cu4 N24 O4 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0488","0.04","","","0.1066","0.1099","","","","","","1.059","","","","has coordinates,has disorder","268722","2021-09-06","10:58:31",""
"7707626","12.298","0.004","16.001","0.005","17.105","0.006","64.787","0.015","87.964","0.015","67.988","0.013","2792.2","1.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40.25 H71.25 Cl4 N14.75 O4.75 Zn2 -","- C40.25 H71.25 Cl4 N14.75 O4.75 Zn2 -","- C80.5 H142.5 Cl8 N29.5 O9.5 Zn4 -","2","1","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.1059","0.0804","","","0.2419","0.2588","","","","","","1.069","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707627","10.578","0.006","12.864","0.007","16.726","0.007","89.34","0.02","78.74","0.02","88.76","0.02","2232","2","103","","103","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H54 Cl8 Co2 N12 -","- C28 H54 Cl8 Co2 N12 -","- C56 H108 Cl16 Co4 N24 -","2","1","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.1073","0.0695","","","0.1802","0.2043","","","","","","1.013","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707628","14.6765","0.0013","10.1217","0.0008","15.2133","0.0014","90","","105.469","0.004","90","","2178.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Cl4 Mn2 N12 O2 -","- C32 H52 Cl4 Mn2 N12 O2 -","- C64 H104 Cl8 Mn4 N24 O4 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0536","0.0356","","","0.0724","0.0811","","","","","","1.022","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707629","10.8239","0.0007","13.4918","0.0007","14.9161","0.0009","90","","95.205","0.002","90","","2169.3","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Cl8 Fe2 N12 -","- C28 H54 Cl8 Fe2 N12 -","- C56 H108 Cl16 Fe4 N24 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0269","0.0228","","","0.056","0.0579","","","","","","1.036","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707630","7.7374","0.0011","13.3856","0.0017","15.6864","0.0018","90","","97.574","0.005","90","","1610.5","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N12 O2 -","- C32 H44 N12 O2 -","- C64 H88 N24 O4 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.104","0.0577","","","0.1308","0.1457","","","","","","1.065","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707631","9.8593","0.0009","11.7388","0.001","12.372","0.0011","70.057","0.003","78.366","0.004","85.877","0.003","1318.4","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H52 Br4 Cl8 Cu2 N12 O2 -","- C36 H52 Br4 Cl8 Cu2 N12 O2 -","- C36 H52 Br4 Cl8 Cu2 N12 O2 -","1","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0594","0.0453","","","0.1112","0.1165","","","","","","1.07","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707632","13.1832","0.0011","12.1023","0.0009","14.4602","0.0013","90","","92.807","0.004","90","","2304.3","0.3","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C32 H52 Cl4 Fe2 N12 O2 -","- C32 H52 Cl4 Fe2 N12 O2 -","- C64 H104 Cl8 Fe4 N24 O4 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0483","0.0404","","","0.1141","0.1175","","","","","","1.124","","","","has coordinates,has disorder","268722","2021-09-06","10:58:31",""
"7707633","13.6798","0.0006","18.3575","0.0009","18.5402","0.001","90","","101.51","0.002","90","","4562.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34.75 H57.75 Cl4 Mn2 N12.25 O2.75 -","- C34.75 H57.75 Cl4 Mn2 N12.25 O2.75 -","- C139 H231 Cl16 Mn8 N49 O11 -","4","1","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0485","0.036","","","0.0948","0.1031","","","","","","1.046","","","","has coordinates,has disorder","268722","2021-09-06","10:58:31",""
"7707634","9.3647","0.0008","26.564","0.002","11.1128","0.001","90","","94.674","0.004","90","","2755.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H60 Cl12 Co2 N12 O2 -","- C36 H60 Cl12 Co2 N12 O2 -","- C72 H120 Cl24 Co4 N24 O4 -","2","0.5","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.0408","0.0305","","","0.0687","0.0747","","","","","","1.029","","","","has coordinates","268722","2021-09-06","10:58:31",""
"7707635","16.5412","0.0011","17.5177","0.0011","19.2787","0.0013","90","","111.374","0.003","90","","5202.1","0.6","101","2","101","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H57 Cl11 Mn2 N12 -","- C29.5 H57 Cl11 Mn2 N12 -","- C118 H228 Cl44 Mn8 N48 -","4","1","","Steuer, Lena; Kaifer, Elisabeth; Himmel, Hans-Jörg","On the metal-ligand bonding in dinuclear complexes with redox-active guanidine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9467","9482","10.1039/d1dt01354h","","x-ray","0.71073","MoKα","","0.056","0.0374","","","0.0971","0.1067","","","","","","1.037","","","","has coordinates,has disorder","268722","2021-09-06","10:58:31",""
"7707636","8.415","0.0017","11.176","0.002","12.451","0.003","109.57","0.03","106.82","0.03","93.89","0.03","1038.3","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Au Cl P -","- C25 H19 Au Cl P -","- C50 H38 Au2 Cl2 P2 -","2","1","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0221","0.0201","","","0.0486","0.0499","","","","","","1.0449","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707637","11.984","0.002","11.811","0.002","14.11","0.003","90","","110.81","0.03","90","","1866.9","0.7","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Brombiphenylen","","- C12 H7 Br -","- C12 H7 Br -","- C96 H56 Br8 -","8","2","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0534","0.0355","","","0.0823","0.0938","","","","","","1.036","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707638","8.066","0.0016","19.896","0.004","20.237","0.004","90","","90","","90","","3247.7","1.1","200","","200","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","WF067","","- C35 H28 Au F3 N4 O3 S -","- C35 H28 Au F3 N4 O3 S -","- C140 H112 Au4 F12 N16 O12 S4 -","4","1","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0523","0.0436","","","0.0983","0.1105","","","","","","1.194","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707639","16.301","0.003","17.737","0.004","20.159","0.004","90","","90","","90","","5829","2","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H24 Au F6 N P Sb -","- C30 H24 Au F6 N P Sb -","- C240 H192 Au8 F48 N8 P8 Sb8 -","8","1","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0446","0.0389","","","0.101","0.1053","","","","","","1.111","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707640","8.53","0.0017","9.032","0.0018","10.772","0.002","83.91","0.03","67.45","0.03","88.61","0.03","762","0.3","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Au Cl N2 -","- C17 H14 Au Cl N2 -","- C34 H28 Au2 Cl2 N4 -","2","1","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0243","0.0239","","","0.0595","0.0597","","","","","","1.0453","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707641","14.6785","0.0002","40.9426","0.0005","14.4762","0.0002","90","","107.797","0.002","90","","8283.5","0.2","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Na[Li3(1)3Ti2]","","- C78 H96 Li3 N2 Na O40 Ti2 -","- C78 H96 Li3 N2 Na O40 Ti2 -","- C312 H384 Li12 N8 Na4 O160 Ti8 -","4","1","","Mevissen, Christian; Sommer, David; Vasanthakumar, Sabarina; Truong, Khai-Nghi; Rissanen, Kari; Albrecht, Markus","Cation-translocation based isomerism offers a tool for the expansion of compressed helicates.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9372","9375","10.1039/d1dt01707a","","","1.54184","CuKα","","0.085","0.0726","","","0.1799","0.188","","","","","","1.09","","","","has coordinates","268727","2021-09-06","11:00:12",""
"7707642","14.5024","0.0007","41.3843","0.0018","14.6141","0.0007","90","","107.933","0.002","90","","8344.9","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Rb[Li3(1)3Ti2]","","- C312 H376 Li12 N8 O157 Rb4 Ti8 -","- C312 H376 Li12 N8 O157 Rb4 Ti8 -","- C312 H376 Li12 N8 O157 Rb4 Ti8 -","1","0.25","","Mevissen, Christian; Sommer, David; Vasanthakumar, Sabarina; Truong, Khai-Nghi; Rissanen, Kari; Albrecht, Markus","Cation-translocation based isomerism offers a tool for the expansion of compressed helicates.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9372","9375","10.1039/d1dt01707a","","","1.54184","CuKα","","0.1617","0.092","","","0.2167","0.2566","","","","","","1.078","","","","has coordinates,has disorder","268727","2021-09-06","11:00:13",""
"7707643","18.7016","0.0016","18.7016","0.0016","23.159","0.002","90","","90","","120","","7014.7","1","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","iMOF-4C","","- C66 H48 N12 Zn -","- C66 H48 N12 Zn -","- C198 H144 N36 Zn3 -","3","0.166667","","Dutta, Subhajit; Let, Sumanta; Shirolkar, Mandar M.; Desai, Aamod V.; Samanta, Partha; Fajal, Sahel; More, Yogeshwar D.; Ghosh, Sujit K.","A luminescent cationic MOF for bimodal recognition of chromium and arsenic based oxo-anions in water.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10133","10141","10.1039/d1dt01097b","","","0.71073","MoKα","","0.1162","0.0722","","","0.2106","0.2577","","","","","","1.016","","","","has coordinates","268703","2021-09-06","10:52:37",""
"7707644","4.1482","0.0006","4.1482","","17.726","0.004","90","","90","","120","","264.16","0.07","296.15","","296.15","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As2 Ca In2 -","- As2 Ca In2 -","- As4 Ca2 In4 -","2","0.0833333","","Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen","The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9173","9184","10.1039/d1dt01521d","","","0.71073","MoKα","","0.0211","0.0132","","","0.028","0.0299","","","","","","1.007","","","","has coordinates","268761","2021-09-06","11:11:11",""
"7707645","10.2746","0.0011","4.3005","0.0005","13.3317","0.0014","90","","95.569","0.002","90","","586.29","0.11","199.99","","199.99","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As2 Ba In2 -","- As2 Ba In2 -","- As8 Ba4 In8 -","4","1","","Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen","The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9173","9184","10.1039/d1dt01521d","","","0.71073","MoKα","","0.0361","0.0286","","","0.0561","0.0594","","","","","","1.023","","","","has coordinates","268761","2021-09-06","11:11:11",""
"7707646","4.2222","0.0006","4.2222","","18.11","0.003","90","","90","","120","","279.59","0.06","200","","200","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As2 In2 Sr -","- As2 In2 Sr -","- As4 In4 Sr2 -","2","0.0833333","","Ogunbunmi, Michael O.; Baranets, Sviatoslav; Childs, Amanda B.; Bobev, Svilen","The Zintl phases <i>A</i>In<sub>2</sub>As<sub>2</sub> (A = Ca, Sr, Ba): new topological insulators and thermoelectric material candidates.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9173","9184","10.1039/d1dt01521d","","","0.71073","MoKα","","0.0288","0.0248","","","0.0607","0.0618","","","","","","1.161","","","","has coordinates","268761","2021-09-06","11:11:11",""
"7707647","23.217","0.003","22.152","0.002","15.8654","0.0018","90","","113.617","0.004","90","","7476.2","1.5","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H83 B2 Fe3 N23 O4 -","- C64 H83 B2 Fe3 N23 O4 -","- C256 H332 B8 Fe12 N92 O16 -","4","0.5","","Zhao, Xin-Hua; Shao, Dong; Chen, Jia-Tao; Liu, Min; Li, Tao; Yang, Jiong; Zhang, Yuan-Zhu","Spin and valence isomerism in cyanide-bridged {FeM<sup>II</sup>} (M = Fe and Co) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9768","9774","10.1039/d1dt01298c","","","0.71073","MoKα","","0.1098","0.075","","","0.2101","0.2518","","","","","","1.062","","","","has coordinates,has disorder","268710","2021-09-06","10:54:08",""
"7707648","22.763","0.002","22.329","0.002","15.4226","0.0016","90","","111.544","0.003","90","","7291.3","1.2","100","2","99.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H85 B2 Co Fe2 N23 O4 -","- C65 H85 B2 Co Fe2 N23 O4 -","- C260 H340 B8 Co4 Fe8 N92 O16 -","4","0.5","","Zhao, Xin-Hua; Shao, Dong; Chen, Jia-Tao; Liu, Min; Li, Tao; Yang, Jiong; Zhang, Yuan-Zhu","Spin and valence isomerism in cyanide-bridged {FeM<sup>II</sup>} (M = Fe and Co) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9768","9774","10.1039/d1dt01298c","","","0.71073","MoKα","","0.1115","0.086","","","0.2644","0.2929","","","","","","1.055","","","","has coordinates,has disorder","268710","2021-09-06","10:54:09",""
"7707649","23.462","0.004","22.513","0.004","16.255","0.003","90","","113.207","0.005","90","","7891","2","290","2","290","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H83 B2 Fe3 N23 O4 -","- C64 H83 B2 Fe3 N23 O4 -","- C256 H332 B8 Fe12 N92 O16 -","4","0.5","","Zhao, Xin-Hua; Shao, Dong; Chen, Jia-Tao; Liu, Min; Li, Tao; Yang, Jiong; Zhang, Yuan-Zhu","Spin and valence isomerism in cyanide-bridged {FeM<sup>II</sup>} (M = Fe and Co) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9768","9774","10.1039/d1dt01298c","","","0.71073","MoKα","","0.1238","0.0681","","","0.1986","0.2491","","","","","","1.032","","","","has coordinates,has disorder","268710","2021-09-06","10:54:09",""
"7707650","23.122","0.003","22.592","0.003","15.524","0.002","90","","110.872","0.004","90","","7577.2","1.7","299.99","","299.99","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C65 H85 B2 Co Fe2 N23 O4 -","- C63 H73 B2 Co Fe2 N23 -","- C252 H292 B8 Co4 Fe8 N92 -","4","0.5","","Zhao, Xin-Hua; Shao, Dong; Chen, Jia-Tao; Liu, Min; Li, Tao; Yang, Jiong; Zhang, Yuan-Zhu","Spin and valence isomerism in cyanide-bridged {FeM<sup>II</sup>} (M = Fe and Co) clusters.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9768","9774","10.1039/d1dt01298c","","","0.71073","MoKα","","0.0851","0.0612","","","0.1933","0.2128","","","","","","1.024","","","","has coordinates,has disorder","268710","2021-09-06","10:54:09",""
"7707651","5.2857","0.0002","12.9239","0.0006","19.348","0.001","90","","91.522","0.004","90","","1321.23","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Li3 O32 Pr3 W8 -","- Ba2 Li3 O32 Pr3 W8 -","- Ba4 Li6 O64 Pr6 W16 -","2","0.25","","Keil, Jan-Niklas; Paulsen, Christian; Rosner, Florian; Pöttgen, Rainer; Jüstel, Thomas","On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li<sub>3</sub>Ba<sub>2</sub>RE<sub>3</sub>(WO<sub>4</sub>)<sub>8</sub> (RE = La-Nd, Sm-Ho).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9225","9235","10.1039/d1dt00795e","","x-ray","0.71073","MoKα","","0.0794","0.0349","","","0.0566","0.0675","","","","1.19","1.19","1.09","","","","has coordinates","268756","2021-09-06","11:09:55",""
"7707652","5.2054","0.0002","12.7203","0.0006","19.1885","0.001","90","","91.948","0.004","90","","1269.82","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Ba2 Li3 O32 Tb3 W8 -","- Ba2 Li3 O32 Tb3 W8 -","- Ba4 Li6 O64 Tb6 W16 -","2","0.25","","Keil, Jan-Niklas; Paulsen, Christian; Rosner, Florian; Pöttgen, Rainer; Jüstel, Thomas","On the crystal structure and optical spectroscopy of rare earth comprising quaternary tungstates Li<sub>3</sub>Ba<sub>2</sub>RE<sub>3</sub>(WO<sub>4</sub>)<sub>8</sub> (RE = La-Nd, Sm-Ho).","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9225","9235","10.1039/d1dt00795e","","x-ray","0.71073","MoKα","","0.0345","0.0243","","","0.0477","0.0498","","","","1.54","1.54","1.45","","","","has coordinates","268756","2021-09-06","11:09:55",""
"7707653","7.075","0.0004","9.3531","0.0005","12.5898","0.0007","90","","99.173","0.001","90","","822.45","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl N2 Se -","- C7 H7 Cl N2 Se -","- C28 H28 Cl4 N8 Se4 -","4","1","","Khrustalev, Victor N.; Grishina, Maria M.; Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Borisova, Galina N.; Osmanov, Vladimir K.; Novikov, Alexander S.; Kirichuk, Anatoly A.; Borisov, Alexander V.; Solari, Euro; Tskhovrebov, Alexander G.","Novel cationic 1,2,4-selenadiazoles: synthesis via addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center SeN contacts.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10689","10691","10.1039/d1dt01322j","","","0.71073","MoKα","","0.0275","0.0232","","","0.0572","0.0591","","","","","","1.074","","","","has coordinates","268789","2021-09-06","11:20:34",""
"7707654","7.103","0.0005","9.6595","0.0007","12.7813","0.0009","90","","98.099","0.002","90","","868.2","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Br N2 Se -","- C7 H7 Br N2 Se -","- C28 H28 Br4 N8 Se4 -","4","1","","Khrustalev, Victor N.; Grishina, Maria M.; Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Borisova, Galina N.; Osmanov, Vladimir K.; Novikov, Alexander S.; Kirichuk, Anatoly A.; Borisov, Alexander V.; Solari, Euro; Tskhovrebov, Alexander G.","Novel cationic 1,2,4-selenadiazoles: synthesis via addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center SeN contacts.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10689","10691","10.1039/d1dt01322j","","","0.71073","MoKα","","0.0421","0.0301","","","0.0706","0.0755","","","","","","1.028","","","","has coordinates","268789","2021-09-06","11:20:35",""
"7707655","29.431","0.002","7.1286","0.0005","13.0733","0.0009","90","","115.186","0.002","90","","2482","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Br2 N2 Se -","- C12 H8 Br2 N2 Se -","- C96 H64 Br16 N16 Se8 -","8","1","","Khrustalev, Victor N.; Grishina, Maria M.; Matsulevich, Zhanna V.; Lukiyanova, Julia M.; Borisova, Galina N.; Osmanov, Vladimir K.; Novikov, Alexander S.; Kirichuk, Anatoly A.; Borisov, Alexander V.; Solari, Euro; Tskhovrebov, Alexander G.","Novel cationic 1,2,4-selenadiazoles: synthesis via addition of 2-pyridylselenyl halides to unactivated nitriles, structures and four-center SeN contacts.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10689","10691","10.1039/d1dt01322j","","","0.71073","MoKα","","0.0903","0.0447","","","0.0795","0.0962","","","","","","1.032","","","","has coordinates","268789","2021-09-06","11:20:35",""
"7707656","11.0591","0.0004","11.1758","0.0004","18.368","0.0007","80.9776","0.0013","77.2074","0.0014","86.6279","0.0014","2185.75","0.14","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H68 Cl2 Fe N2 O1.5 P2 -","- C43 H68 Cl2 Fe N2 O1.5 P2 -","- C86 H136 Cl4 Fe2 N4 O3 P4 -","2","1","","Petit, Julien; Cavaillé, Anthony; Saffon-Merceron, Nathalie; Fustier-Boutignon, Marie; Mézailles, Nicolas","Double α,α CH bond insertion into sp<sup>3</sup> CH<sub>2</sub> moiety: synthesis of a Fe carbene bis-hydride dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9554","9559","10.1039/d1dt00610j","","","0.71073","MoKα","","0.0828","0.0471","","","0.1073","0.1254","","","","","","1.035","","","","has coordinates,has disorder","268732","2021-09-06","11:03:01",""
"7707657","13.3756","0.0011","15.4294","0.0011","22.9638","0.0019","104.573","0.002","95.791","0.003","98.177","0.002","4493.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H148 Fe2 N6 O4.5 P4 -","- C92 H148 Fe2 N6 O4.5 P4 -","- C184 H296 Fe4 N12 O9 P8 -","2","1","","Petit, Julien; Cavaillé, Anthony; Saffon-Merceron, Nathalie; Fustier-Boutignon, Marie; Mézailles, Nicolas","Double α,α CH bond insertion into sp<sup>3</sup> CH<sub>2</sub> moiety: synthesis of a Fe carbene bis-hydride dinitrogen complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9554","9559","10.1039/d1dt00610j","","","0.71073","MoKα","","0.1016","0.057","","","0.1358","0.1567","","","","","","1.046","","","","has coordinates,has disorder","268732","2021-09-06","11:03:02",""
"7707658","24.1012","0.0014","19.773","0.0011","26.1381","0.0016","90","","104.791","0.006","90","","12043.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H79.5 F3.5 Mg N2 O -","- C68 H79.5 F3.5 Mg N2 O -","- C544 H636 F28 Mg8 N16 O8 -","8","2","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","0.71073","MoKα","","0.1364","0.1072","","","0.3045","0.3348","","","","","","1.032","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707659","10.1179","0.0001","11.3691","0.0001","26.1145","0.0003","90","","90.005","0.0001","90","","3003.99","0.05","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H86 Ca N2 O -","- C71 H86 Ca N2 O -","- C142 H172 Ca2 N4 O2 -","2","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","neutron","0.85","neutron","","0.0733","0.0733","","0.0836","0.0836","0.083","","","","","","1.5233","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707660","10.1179","0.0001","11.3691","0.0001","26.1145","0.0003","90","","90.005","0.001","90","","3003.99","0.05","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C71 H86 Ca N2 O -","- C71 H86 Ca N2 O -","- C142 H172 Ca2 N4 O2 -","2","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","1.54184","CuKα","","0.0481","0.0472","","","0.1178","0.1187","","","","","","1.024","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707661","15.7995","0.0002","26.2202","0.0002","22.4868","0.0002","90","","90.291","0.001","90","","9315.4","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H136 Mg2 N4 O2 -","- C106 H136 Mg2 N4 O2 -","- C424 H544 Mg8 N16 O8 -","4","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","1.54184","CuKα","","0.0767","0.0553","","","0.1514","0.1659","","","","","","1.039","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707662","13.6989","0.0001","21.445","0.0002","19.4889","0.0002","90","","94.299","0.001","90","","5709.2","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H88 Ca N2 O3 -","- C61 H88 Ca N2 O3 -","- C244 H352 Ca4 N8 O12 -","4","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","1.54184","CuKα","","0.0462","0.0406","","","0.1065","0.1112","","","","","","1.031","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707663","11.477","0.0003","11.6476","0.0003","22.193","0.0006","102.158","0.002","93.494","0.002","112.779","0.003","2640.38","0.14","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H80 Mg N2 O2 -","- C58 H80 Mg N2 O2 -","- C116 H160 Mg2 N4 O4 -","2","1","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","1.54184","CuKα","","0.0464","0.0414","","","0.1078","0.1126","","","","","","1.034","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707664","21.3549","0.0014","26.98","0.0011","22.6462","0.0011","90","","108.37","0.006","90","","12382.8","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H82 Ca F4 N2 O -","- C71 H82 Ca F4 N2 O -","- C568 H656 Ca8 F32 N16 O8 -","8","2","","McMullen, Jacob S.; Edwards, Alison J.; Hicks, Jamie","C-H and C-F coordination of arenes in neutral alkaline earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8685","8689","10.1039/d1dt01532j","","","0.71073","MoKα","","0.1723","0.0775","","","0.174","0.2324","","","","","","1.017","","","","has coordinates,has disorder","267175","2021-07-05","17:38:20",""
"7707665","12.72","0.002","21.31","0.004","12.72","0.002","90","","109.36","","90","","3253","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Dy N6 O7 -","- C35 H27 Dy N6 O7 -","- C140 H108 Dy4 N24 O28 -","4","1","","Zhang, Li; Montigaud, Vincent; Le Guennic, Boris; Zhang, Peng; Tang, Jinkui","Dysprosium(III) compounds assembled <i>via</i> a versatile ligand incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9457","9466","10.1039/d1dt01525g","","","0.71073","MoKα","","0.0557","0.0358","","","0.0767","0.0853","","","","","","1.017","","","","has coordinates","268721","2021-09-06","10:57:50",""
"7707666","16.829","0.002","17.777","0.002","12.5849","0.0017","90","","108.326","0.002","90","","3574.1","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 Dy2 N16 O20 -","- C58 H78 Dy2 N16 O20 -","- C116 H156 Dy4 N32 O40 -","2","0.5","","Zhang, Li; Montigaud, Vincent; Le Guennic, Boris; Zhang, Peng; Tang, Jinkui","Dysprosium(III) compounds assembled <i>via</i> a versatile ligand incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9457","9466","10.1039/d1dt01525g","","","0.71073","MoKα","","0.0743","0.0491","","","0.1171","0.1353","","","","","","1.018","","","","has coordinates","268721","2021-09-06","10:57:51",""
"7707667","19.5409","0.0019","21.972","0.002","19.385","0.002","90","","93.725","0.002","90","","8305.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H72 Dy4 N12 O22 -","- C74 H62 Dy4 N12 O22 -","- C296 H248 Dy16 N48 O88 -","4","0.5","","Zhang, Li; Montigaud, Vincent; Le Guennic, Boris; Zhang, Peng; Tang, Jinkui","Dysprosium(III) compounds assembled <i>via</i> a versatile ligand incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9457","9466","10.1039/d1dt01525g","","","0.71073","MoKα","","0.0932","0.0555","","","0.1446","0.1668","","","","","","1.047","","","","has coordinates","268721","2021-09-06","10:57:51",""
"7707668","14.4228","0.0007","17.5511","0.0009","20.2386","0.001","106.381","0.001","94.934","0.001","93.777","0.001","4875.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C101 H83 Dy4 N13 O25 -","- C101 H81 Dy4 N13 O25 -","- C202 H162 Dy8 N26 O50 -","2","1","","Zhang, Li; Montigaud, Vincent; Le Guennic, Boris; Zhang, Peng; Tang, Jinkui","Dysprosium(III) compounds assembled <i>via</i> a versatile ligand incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9457","9466","10.1039/d1dt01525g","","","0.71073","MoKα","","0.0765","0.0524","","","0.1045","0.1199","","","","","","1.034","","","","has coordinates","268721","2021-09-06","10:57:51",""
"7707669","10.6137","0.001","10.8593","0.001","11.397","0.0011","78.97","0.002","81.792","0.002","87.25","0.002","1275.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H52 Dy2 N6 O15 -","- C53 H52 Dy2 N6 O15 -","- C53 H52 Dy2 N6 O15 -","1","0.5","","Zhang, Li; Montigaud, Vincent; Le Guennic, Boris; Zhang, Peng; Tang, Jinkui","Dysprosium(III) compounds assembled <i>via</i> a versatile ligand incorporating salicylic hydrazide and 8-hydroxyquinolin units: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9457","9466","10.1039/d1dt01525g","","","0.71073","MoKα","","0.0438","0.038","","","0.0894","0.0933","","","","","","1.048","","","","has coordinates,has disorder","268721","2021-09-06","10:57:51",""
"7707670","9.6955","0.0005","19.0317","0.0009","19.4285","0.0006","100.641","0.001","91.289","0.001","104.411","0.001","3403.6","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H72 N15 O12 Ru4 -","- C60 H72 N8 O16 Ru4 -","- C120 H144 N16 O32 Ru8 -","2","1","","Kumari, Maya; Bera, Sudip Kumar; Lahiri, Goutam Kumar","Noninnocence of the deprotonated 1,2-bis((1<i>H</i>-pyrrol-2-yl)methylene)hydrazine bridge in diruthenium frameworks - a function of co-ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9891","9903","10.1039/d1dt01488a","","","0.71073","MoKα","","0.0823","0.0668","","","0.1743","0.1872","","","","","","1.022","","","","has coordinates","268715","2021-09-06","10:55:39",""
"7707671","9.3715","0.0007","12.8604","0.001","14.0731","0.001","65.971","0.007","75.515","0.006","85.018","0.006","1499.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl N8 O4 Ru -","- C27 H22 Cl N8 O4 Ru -","- C54 H44 Cl2 N16 O8 Ru2 -","2","1","","Kumari, Maya; Bera, Sudip Kumar; Lahiri, Goutam Kumar","Noninnocence of the deprotonated 1,2-bis((1<i>H</i>-pyrrol-2-yl)methylene)hydrazine bridge in diruthenium frameworks - a function of co-ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9891","9903","10.1039/d1dt01488a","","x-ray","0.71073","MoKα","","0.065","0.0497","","","0.1201","0.1302","","","","","","1.049","","","","has coordinates","268715","2021-09-06","10:55:40",""
"7707672","13.825","0.0003","14.109","0.0003","14.5097","0.0003","82.406","0.002","87.564","0.002","73.395","0.002","2688.37","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H42 Cl4 N12 O8 Ru2 -","- C51 H42 Cl4 N12 O8 Ru2 -","- C102 H84 Cl8 N24 O16 Ru4 -","2","1","","Kumari, Maya; Bera, Sudip Kumar; Lahiri, Goutam Kumar","Noninnocence of the deprotonated 1,2-bis((1<i>H</i>-pyrrol-2-yl)methylene)hydrazine bridge in diruthenium frameworks - a function of co-ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9891","9903","10.1039/d1dt01488a","","x-ray","0.71073","MoKα","","0.0396","0.0331","","","0.0757","0.0803","","","","","","1.065","","","","has coordinates,has disorder","268715","2021-09-06","10:55:40",""
"7707673","11.3064","0.0002","12.8799","0.0003","20.0088","0.0004","82.375","0.0018","80.685","0.0018","85.8215","0.0018","2846","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C53.75 H46.75 Cl2 N16 O8.92 Ru2 -","- C53.755 H46.755 Cl2 N16 O8.91 Ru2 -","- C107.51 H93.51 Cl4 N32 O17.82 Ru4 -","2","1","","Kumari, Maya; Bera, Sudip Kumar; Lahiri, Goutam Kumar","Noninnocence of the deprotonated 1,2-bis((1<i>H</i>-pyrrol-2-yl)methylene)hydrazine bridge in diruthenium frameworks - a function of co-ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9891","9903","10.1039/d1dt01488a","","x-ray","0.71073","MoKα","","0.0678","0.0599","","","0.1521","0.1593","","","","","","1.038","","","","has coordinates,has disorder","268715","2021-09-06","10:55:40",""
"7707674","12.6118","0.0009","15.1919","0.0012","22.0273","0.0017","88.88","0.006","78.068","0.006","84.835","0.006","4112.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","MK-AC-PZM","","- C68 H87 N8 O16 Ru4 -","- C68 H87 N8 O16 Ru4 -","- C136 H174 N16 O32 Ru8 -","2","1","","Kumari, Maya; Bera, Sudip Kumar; Lahiri, Goutam Kumar","Noninnocence of the deprotonated 1,2-bis((1<i>H</i>-pyrrol-2-yl)methylene)hydrazine bridge in diruthenium frameworks - a function of co-ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9891","9903","10.1039/d1dt01488a","","x-ray","0.71073","MoKα","","0.132","0.0668","","","0.1421","0.1715","","","","","","0.948","","","","has coordinates","268715","2021-09-06","10:55:40",""
"7707675","7.1678","0.0002","34.073","0.0008","11.089","0.0002","90","","90","","90","","2708.25","0.11","296","2","296","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Ba0.88 Na1.25 P5 Si3 -","- Ba0.8728 Na1.25367 P5 Si3 -","- Ba10.4736 Na15.044 P60 Si36 -","12","0.75","","Haffner, Arthur; Zeman, Otto E. O.; Bräuniger, Thomas; Johrendt, Dirk","Supertetrahedral anions in the phosphidosilicates Na<sub>1.25</sub>Ba<sub>0.875</sub>Si<sub>3</sub>P<sub>5</sub> and Na<sub>31</sub>Ba<sub>5</sub>Si<sub>52</sub>P<sub>83</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9123","9128","10.1039/d1dt01234g","","","0.71073","MoKα","","0.0292","0.0278","","","0.0665","0.0675","","","","","","1.109","","","","has coordinates","268774","2021-09-06","11:15:10",""
"7707676","21.2704","0.0004","30.6728","0.0006","25.3238","0.0005","90","","113.502","0.001","90","","15151.3","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ba5 Na31 P83 Si52 -","- Ba5 Na30.998 P83 Si52 -","- Ba20 Na123.992 P332 Si208 -","4","0.5","","Haffner, Arthur; Zeman, Otto E. O.; Bräuniger, Thomas; Johrendt, Dirk","Supertetrahedral anions in the phosphidosilicates Na<sub>1.25</sub>Ba<sub>0.875</sub>Si<sub>3</sub>P<sub>5</sub> and Na<sub>31</sub>Ba<sub>5</sub>Si<sub>52</sub>P<sub>83</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9123","9128","10.1039/d1dt01234g","","","0.71073","MoKα","","0.0602","0.0455","","","0.1017","0.109","","","","","","1.053","","","","has coordinates","268774","2021-09-06","11:15:10",""
"7707677","21.0646","0.0011","13.3266","0.0007","26.5837","0.0012","90","","99.442","0.002","90","","7361.5","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C73 H58 Eu F12 N9 O10 -","- C73 H58 Eu F12 N9 O10 -","- C292 H232 Eu4 F48 N36 O40 -","4","0.5","","Li, Mei; Zhou, Yanyan; Yao, Yuan; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Designing water-quenching resistant highly luminescent europium complexes by regulating the orthogonal arrangement of bis-β-diketone ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9914","9922","10.1039/d1dt00155h","","","0.71073","MoKα","","0.0385","0.0375","","","0.1079","0.1091","","","","","","1.103","","","","has coordinates,has disorder","268709","2021-09-06","10:53:48",""
"7707678","8.329","0.004","12.701","0.004","15.105","0.006","94.262","0.012","94.357","0.01","95.865","0.009","1579.5","1.1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 N5 O2 -","- C34 H45 N5 O2 -","- C68 H90 N10 O4 -","2","1","","Vega, Manel; Blasco, Salvador; García-España, Enrique; Soberats, Bartolomé; Frontera, Antonio; Rotger, Carmen; Costa, Antonio","Dual role of silver in a fluorogenic <i>N</i>-squaraine probe based on Ag(I)-π interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9367","9371","10.1039/d1dt01408k","","","0.71073","MoKα","","0.1034","0.0524","","","0.1076","0.1323","","","","","","1.027","","","","has coordinates","268729","2021-09-06","11:00:30",""
"7707679","12.8354","0.0001","22.3166","0.0001","16.5717","0.0002","90","","109.898","0.001","90","","4463.45","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 Cl8 N5 P Pd -","- C38 H58 Cl8 N5 P Pd -","- C152 H232 Cl32 N20 P4 Pd4 -","4","1","","Scattolin, Thomas; Voloshkin, Vladislav A.; Martynova, Ekaterina; Vanden Broeck, Sofie M. P.; Beliš, Marek; Cazin, Catherine S. J.; Nolan, Steven P.","Synthesis and catalytic activity of palladium complexes bearing <i>N</i>-heterocyclic carbenes (NHCs) and 1,4,7-triaza-9-phosphatricyclo[5.3.2.1]tridecane (CAP) ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9491","9499","10.1039/d1dt01716k","","x-ray","1.54184","CuKα","","0.0317","0.0274","","","0.0668","0.0694","","","","","","1.041","","","","has coordinates","268728","2021-09-06","11:00:23",""
"7707680","15.4158","0.0003","12.2045","0.0002","18.2376","0.0004","90","","90","","90","","3431.26","0.12","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","VL400","","- C14 H23 Cl2 N4 P Pd -","- C14 H23 Cl2 N4 P Pd -","- C112 H184 Cl16 N32 P8 Pd8 -","8","1","","Scattolin, Thomas; Voloshkin, Vladislav A.; Martynova, Ekaterina; Vanden Broeck, Sofie M. P.; Beliš, Marek; Cazin, Catherine S. J.; Nolan, Steven P.","Synthesis and catalytic activity of palladium complexes bearing <i>N</i>-heterocyclic carbenes (NHCs) and 1,4,7-triaza-9-phosphatricyclo[5.3.2.1]tridecane (CAP) ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9491","9499","10.1039/d1dt01716k","","x-ray","1.54184","CuKα","","0.0237","0.0204","","","0.0499","0.0515","","","","","","1.057","","","","has coordinates","268728","2021-09-06","11:00:24",""
"7707681","9.777","0.0002","13.5313","0.0003","18.3141","0.0004","81.651","0.002","84.864","0.002","70.367","0.002","2255.67","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 Cl6 N4 O12 Zn3 -","- C42 H24 Cl6 N4 O12 Zn3 -","- C84 H48 Cl12 N8 O24 Zn6 -","2","1","","Fu, Miao-Miao; Fu, Lianshe; Cui, Guang-Hua","A robust 3D zinc(II)-organic framework for efficient dual detection of acetylacetone and Tb<sup>3+</sup> ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10180","10186","10.1039/d1dt01112j","","","0.71073","MoKα","","0.079","0.0471","","","0.0827","0.0908","","","","","","1.016","","","","has coordinates","268704","2021-09-06","10:52:44",""
"7707682","9.76","0.0011","10.5243","0.0012","11.4568","0.0013","105.81","0.002","91.541","0.002","114.335","0.002","1018.6","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 N24 Ni3 O21 V6 -","- C12 H30 N24 Ni3 O21 V6 -","- C12 H30 N24 Ni3 O21 V6 -","1","0.5","","Li, Jikun; Wei, Chuanping; Han, Yinfeng; Mei, Yu; Cheng, Xueli; Huang, Xianqiang; Hu, Changwen","Triazole-directed fabrication of polyoxovanadate-based metal-organic frameworks as efficient multifunctional heterogeneous catalysts for the Knoevenagel condensation and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10082","10091","10.1039/d1dt01413g","","","0.71073","MoKα","","0.0382","0.031","","","0.0758","0.0794","","","","","","1.024","","","","has coordinates","268698","2021-09-06","10:51:06",""
"7707683","7.641","0.0004","8.5752","0.0004","9.4222","0.0005","67.325","0.002","67.177","0.002","81.785","0.002","525.04","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H6 Cu2 I2 N2 S -","- C5 H6 Cu2 I2 N2 S -","- C10 H12 Cu4 I4 N4 S2 -","2","1","","Vinogradova, Katerina A.; Shekhovtsov, Nikita A.; Berezin, Alexey S.; Sukhikh, Taisiya S.; Rogovoy, Maxim I.; Artem'ev, Alexander V.; Bushuev, Mark B.","Coordination-induced emission enhancement in copper(I) iodide coordination polymers supported by 2-(alkylsulfanyl)pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9317","9330","10.1039/d1dt00826a","","","0.71073","MoKα","","0.0221","0.0215","","","0.0538","0.0541","","","","","","1.245","","","","has coordinates","268763","2021-09-06","11:11:37",""
"7707684","7.5758","0.0006","9.4445","0.0009","9.9008","0.0008","61.958","0.003","82.979","0.003","66.443","0.002","571.24","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 Cu2 I2 N2 S -","- C6 H8 Cu2 I2 N2 S -","- C12 H16 Cu4 I4 N4 S2 -","2","1","","Vinogradova, Katerina A.; Shekhovtsov, Nikita A.; Berezin, Alexey S.; Sukhikh, Taisiya S.; Rogovoy, Maxim I.; Artem'ev, Alexander V.; Bushuev, Mark B.","Coordination-induced emission enhancement in copper(I) iodide coordination polymers supported by 2-(alkylsulfanyl)pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9317","9330","10.1039/d1dt00826a","","","0.71073","MoKα","","0.0229","0.0203","","","0.0404","0.0415","","","","","","1.072","","","","has coordinates","268763","2021-09-06","11:11:38",""
"7707685","4.1293","0.0004","15.0107","0.0013","14.8554","0.0013","90","","97.948","0.003","90","","911.95","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu I N2 S -","- C6 H8 Cu I N2 S -","- C24 H32 Cu4 I4 N8 S4 -","4","1","","Vinogradova, Katerina A.; Shekhovtsov, Nikita A.; Berezin, Alexey S.; Sukhikh, Taisiya S.; Rogovoy, Maxim I.; Artem'ev, Alexander V.; Bushuev, Mark B.","Coordination-induced emission enhancement in copper(I) iodide coordination polymers supported by 2-(alkylsulfanyl)pyrimidines.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9317","9330","10.1039/d1dt00826a","","","0.71073","MoKα","","0.0196","0.019","","","0.0461","0.0464","","","","","","1.055","","","","has coordinates","268763","2021-09-06","11:11:38",""
"7707686","8.79421","0.00009","11.97329","0.00012","20.23452","0.00019","93.6821","0.0008","95.5889","0.0008","106.812","0.0009","2020.28","0.04","132.98","0.1","132.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H36 B Cu F4 N6 P2 -","- C45 H36 B Cu F4 N6 P2 -","- C90 H72 B2 Cu2 F8 N12 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Wang, Guo; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Feng, Yue-Bing; Jin, Qiong-Hua; Yang, Yu-Ping; Yang, Wei","A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C-Hπ weak interactions in Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10214","10224","10.1039/d1dt01023a","","x-ray","1.54184","CuKα","","0.0345","0.0331","","","0.0881","0.0891","","","","","","1.039","","","","has coordinates","268697","2021-09-06","10:50:58",""
"7707687","8.82","0.0002","13.0493","0.0004","19.3364","0.0003","96.339","0.002","95.314","0.001","102.62","0.002","2142.78","0.09","100","0.1","100","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 Cu F3 N6 O4 P2 S -","- C46 H40 Cu F3 N6 O4 P2 S -","- C92 H80 Cu2 F6 N12 O8 P4 S2 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Wang, Guo; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Feng, Yue-Bing; Jin, Qiong-Hua; Yang, Yu-Ping; Yang, Wei","A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C-Hπ weak interactions in Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10214","10224","10.1039/d1dt01023a","","","1.54184","CuKα","","0.0677","0.0624","","","0.1707","0.1755","","","","","","1.087","","","","has coordinates","268697","2021-09-06","10:50:59",""
"7707688","8.9379","0.0002","12.284","0.0002","19.3667","0.0004","94.161","0.002","94.741","0.002","108.746","0.002","1995.55","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 B Cu F4 N6 P2 -","- C44 H36 B Cu F4 N6 P2 -","- C88 H72 B2 Cu2 F8 N12 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Wang, Guo; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Feng, Yue-Bing; Jin, Qiong-Hua; Yang, Yu-Ping; Yang, Wei","A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C-Hπ weak interactions in Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10214","10224","10.1039/d1dt01023a","","x-ray","1.54184","CuKα","","0.0902","0.0756","","","0.2125","0.2243","","","","","","1.091","","","","has coordinates","268697","2021-09-06","10:50:59",""
"7707689","8.93039","0.0002","12.4524","0.0003","19.4029","0.0004","94.5666","0.0017","94.7571","0.0017","108.294","0.0019","2028.81","0.08","173","0.1","173","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Cl Cu N6 O4 P2 -","- C44 H36 Cl Cu N6 O4 P2 -","- C88 H72 Cl2 Cu2 N12 O8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Wang, Guo; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Feng, Yue-Bing; Jin, Qiong-Hua; Yang, Yu-Ping; Yang, Wei","A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C-Hπ weak interactions in Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10214","10224","10.1039/d1dt01023a","","x-ray","1.54184","CuKα","","0.0867","0.0819","","","0.2232","0.2294","","","","","","1.054","","","","has coordinates","268697","2021-09-06","10:50:59",""
"7707690","8.73042","0.00009","12.10099","0.00011","20.22005","0.00013","93.6136","0.0006","95.554","0.0007","106.36","0.0008","2030.93","0.03","98","0.1","98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H36 Cl Cu N6 O4 P2 -","- C45 H36 Cl Cu N6 O4 P2 -","- C90 H72 Cl2 Cu2 N12 O8 P4 -","2","1","","Sun, Zhen-Zhou; Zhu, Ning; Pan, Xun; Wang, Guo; Li, Zhong-Feng; Xin, Xiu-Lan; Han, Hong-Liang; Feng, Yue-Bing; Jin, Qiong-Hua; Yang, Yu-Ping; Yang, Wei","A new application of terahertz time-domain absorption spectra in luminescent complexes: characterization of the C-Hπ weak interactions in Cu(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10214","10224","10.1039/d1dt01023a","","x-ray","1.54184","CuKα","","0.0578","0.0556","","","0.1588","0.1612","","","","","","1.09","","","","has coordinates","268697","2021-09-06","10:50:59",""
"7707691","12.9876","0.0004","15.7182","0.0004","16.7412","0.0006","90","","90","","90","","3417.58","0.18","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C17.6 H24 F9.6 N1.6 P1.6 S4.8 Tl1.6 -","- C17.6 H24 F9.6 N1.6 P1.6 S4.8 Tl1.6 -","- C88 H120 F48 N8 P8 S24 Tl8 -","5","0.625","","Caddeo, Francesco; Fernández-Moreira, Vanesa; Arca, Massimiliano; Pintus, Anna; Laguna, Antonio; Lippolis, Vito; Gimeno, M Concepción","Luminescent gold-thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9709","9718","10.1039/d1dt01599k","","","0.71073","MoKα","","0.0467","0.0372","","","0.0988","0.1059","","","","","","1.041","","","","has coordinates","268717","2021-09-06","10:56:04",""
"7707692","15.4455","0.0002","12.4249","0.0001","20.2617","0.0002","90","","94.541","0.001","90","","3876.19","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H15 Au2 F20 N S3 Tl2 -","- C35 H15 Au2 F20 N S3 Tl2 -","- C140 H60 Au8 F80 N4 S12 Tl8 -","4","1","","Caddeo, Francesco; Fernández-Moreira, Vanesa; Arca, Massimiliano; Pintus, Anna; Laguna, Antonio; Lippolis, Vito; Gimeno, M Concepción","Luminescent gold-thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9709","9718","10.1039/d1dt01599k","","","0.71073","MoKα","","0.0271","0.0232","","","0.051","0.0524","","","","","","1.112","","","","has coordinates","268717","2021-09-06","10:56:04",""
"7707693","11.4729","0.0004","11.9047","0.0003","21.1631","0.0007","90","","104.996","0.004","90","","2792.05","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 Au2 Cl2 F10 N S3 -","- C24 H17 Au2 Cl2 F10 N S3 -","- C96 H68 Au8 Cl8 F40 N4 S12 -","4","1","","Caddeo, Francesco; Fernández-Moreira, Vanesa; Arca, Massimiliano; Pintus, Anna; Laguna, Antonio; Lippolis, Vito; Gimeno, M Concepción","Luminescent gold-thallium derivatives with a pyridine-containing 12-membered aza-thioether macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9709","9718","10.1039/d1dt01599k","","","0.71073","MoKα","","0.0369","0.0307","","","0.0679","0.0703","","","","","","1.09","","","","has coordinates","268717","2021-09-06","10:56:04",""
"7707694","11.6974","0.0014","11.8807","0.0013","12.1832","0.0014","67.854","0.002","74.137","0.002","75.682","0.002","1488.6","0.3","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H36 Cu2 Mo12 N12 O50 P -","- C24 H36 Cu2 Mo12 N12 O50 P -","- C24 H36 Cu2 Mo12 N12 O50 P -","1","0.5","","Liu, Qian-Qian; Wang, Xiu-Li; Lin, Hong-Yan; Chang, Zhi-Han; Zhang, Yu-Chen; Tian, Yuan; Lu, Jun-Jun; Yu, Le","Two new polyoxometalate-based metal-organic complexes for the detection of trace Cr(VI) and their capacitor performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9450","9456","10.1039/d1dt01247a","","x-ray","0.71073","MoKα","K-L~3~","0.0786","0.0505","","","0.0931","0.1046","","","","","","1.046","","","","has coordinates","268725","2021-09-06","10:59:24",""
"7707695","15.5819","0.0007","16.9947","0.0007","13.2208","0.0006","90","","119.408","0.001","90","","3049.9","0.2","296.15","","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C24 H24 Cu2 Mo12 N12 O44 P -","- C24 H24 Cu2 Mo12 N12 O44 P -","- C48 H48 Cu4 Mo24 N24 O88 P2 -","2","0.25","","Liu, Qian-Qian; Wang, Xiu-Li; Lin, Hong-Yan; Chang, Zhi-Han; Zhang, Yu-Chen; Tian, Yuan; Lu, Jun-Jun; Yu, Le","Two new polyoxometalate-based metal-organic complexes for the detection of trace Cr(VI) and their capacitor performance.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9450","9456","10.1039/d1dt01247a","","x-ray","0.71073","MoKα","K-L~3~","0.0669","0.043","","","0.096","0.1082","","","","","","1.035","","","","has coordinates,has disorder","268725","2021-09-06","10:59:25",""
"7707696","9.248","0.0003","41.0134","0.0012","12.2659","0.0005","90","","103.376","0.004","90","","4526.2","0.3","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C98 H106 Co2 F12 N8 O10 P2 -","- C86 H82 Co2 F12 N8 O6 P2 -","- C172 H164 Co4 F24 N16 O12 P4 -","2","0.5","","Suenaga, Yusaku; Mibu, Takuto; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Sugimoto, Kunihisa","Dinuclear cobalt complexes with a redox active biphenyl bridging ligand [Co<sub>2</sub>(BP)(tqa)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> (H<sub>4</sub>BP = 4,4'-bis(3-<i>tert</i>-butyl-1,2-catechol), tqa = tris(2-quinolylmethyl)amine): structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9833","9841","10.1039/d1dt00995h","","x-ray","0.71073","MoKα","","0.0972","0.0636","","","0.1717","0.186","","","","","","1.009","","","","has coordinates,has disorder","268716","2021-09-06","10:55:52",""
"7707697","9.111","0.0004","41.1206","0.001","12.135","0.0003","90","","102.59","0.003","90","","4437.1","0.3","100","","100","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C90 H102 Co2 F12 N8 O10 P2 -","- C78 H74 Co2 F12 N8 O6 P2 -","- C156 H148 Co4 F24 N16 O12 P4 -","2","0.5","","Suenaga, Yusaku; Mibu, Takuto; Okubo, Takashi; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi; Sugimoto, Kunihisa","Dinuclear cobalt complexes with a redox active biphenyl bridging ligand [Co<sub>2</sub>(BP)(tqa)<sub>2</sub>](PF<sub>6</sub>)<sub>2</sub> (H<sub>4</sub>BP = 4,4'-bis(3-<i>tert</i>-butyl-1,2-catechol), tqa = tris(2-quinolylmethyl)amine): structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9833","9841","10.1039/d1dt00995h","","","0.71073","MoKα","","0.1069","0.0939","","","0.2344","0.241","","","","","","1.128","","","","has coordinates,has disorder","268716","2021-09-06","10:55:52",""
"7707698","17.7139","0.0013","10.2393","0.0008","25.3441","0.0019","90","","97.279","0.003","90","","4559.8","0.6","120","","120","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C98 H108 Al4 Cl8 N8 O8 -","- C98 H108 Al4 Cl8 N8 O8 -","- C196 H216 Al8 Cl16 N16 O16 -","2","0.5","","Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee","Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11039","11048","10.1039/d1dt01903a","","x-ray","0.71073","MoKα","","0.0345","0.0294","","","0.0782","0.0817","","","","","","1.037","","","","has coordinates,has disorder","268744","2021-09-06","11:06:13",""
"7707699","22.8129","0.0008","15.1936","0.0005","13.9917","0.0004","90","","107.402","0.001","90","","4627.7","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Al N2 O3 -","- C23 H25 Al N2 O3 -","- C184 H200 Al8 N16 O24 -","8","1","","Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee","Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11039","11048","10.1039/d1dt01903a","","","0.71073","MoKα","","0.0378","0.0336","","","0.083","0.0855","","","","","","1.03","","","","has coordinates","268744","2021-09-06","11:06:14",""
"7707700","9.9908","0.0006","12.7225","0.0007","29.7257","0.0018","90","","90","","90","","3778.4","0.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 Al Cl N2 O2 -","- C42 H56 Al Cl N2 O2 -","- C168 H224 Al4 Cl4 N8 O8 -","4","1","","Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee","Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11039","11048","10.1039/d1dt01903a","","x-ray","0.71073","MoKα","","0.0343","0.0314","","","0.0785","0.08","","","","","","1.057","","","","has coordinates","268744","2021-09-06","11:06:14",""
"7707701","14.8018","0.0008","29.3344","0.0015","14.4536","0.0007","90","","107.663","0.002","90","","5979.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H65.3 Cl3 F7 N4 O1.15 Rh -","- C65 H65.3 Cl3 F7 N4 O1.15 Rh -","- C260 H261.2 Cl12 F28 N16 O4.6 Rh4 -","4","1","","Fu, Li-Jie; An, Bo-Hsun; Chou, Chih-Hsuan; Chen, Chi-Min; To, Ching Tat","Base-promoted perfluoroalkylation of rhodium(III) porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9949","9957","10.1039/d1dt01118a","","x-ray","0.71073","MoKα","","0.089","0.0674","","","0.1916","0.2062","","","","","","0.962","","","","has coordinates,has disorder","268712","2021-09-06","10:54:58",""
"7707702","29.171","0.005","10.6913","0.0018","21.741","0.003","90","","110.572","0.009","90","","6348.1","1.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H63 F7 N4 O Rh -","- C64 H63 F7 N4 O Rh -","- C256 H252 F28 N16 O4 Rh4 -","4","1","","Fu, Li-Jie; An, Bo-Hsun; Chou, Chih-Hsuan; Chen, Chi-Min; To, Ching Tat","Base-promoted perfluoroalkylation of rhodium(III) porphyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9949","9957","10.1039/d1dt01118a","","x-ray","0.71073","MoKα","","0.1325","0.0961","","","0.2483","0.2857","","","","","","1.053","","","","has coordinates,has disorder","268712","2021-09-06","10:54:58",""
"7707703","23.819","0.005","16.065","0.003","21.035","0.004","90","","120.37","0.03","90","","6945","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C74 H111 N2 O8 Y -","- C74 H111 N2 O8 Y -","- C296 H444 N8 O32 Y4 -","4","1","","Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9648","9654","10.1039/d1dt00359c","","","0.71073","MoKα","","0.0876","0.0652","","","0.1588","0.176","","","","","","1.036","","","","has coordinates","268723","2021-09-06","10:58:59",""
"7707704","23.8101","0.0007","16.092","0.0005","21.0561","0.001","90","","120.328","0.001","90","","6963.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C148 H222 Gd2 N4 O16 -","- C148 H222 Gd2 N4 O16 -","- C296 H444 Gd4 N8 O32 -","2","0.25","","Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9648","9654","10.1039/d1dt00359c","","","0.71073","MoKα","","0.0516","0.0442","","","0.1093","0.1122","","","","","","1.334","","","","has coordinates,has disorder","268723","2021-09-06","10:58:59",""
"7707705","23.8297","0.0006","16.0808","0.0004","21.055","0.0005","90","","120.339","0.001","90","","6963.4","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C74 H111 Dy N2 O8 -","- C74 H111 Dy N2 O8 -","- C296 H444 Dy4 N8 O32 -","4","1","","Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9648","9654","10.1039/d1dt00359c","","","0.71073","MoKα","","0.0152","0.0144","","","0.0388","0.0393","","","","","","1.038","","","","has coordinates","268723","2021-09-06","10:58:59",""
"7707706","23.8191","0.0005","16.0761","0.0004","21.0672","0.0005","90","","120.34","0.001","90","","6962.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H111 N2 O8 Tb -","- C74 H111 N2 O8 Tb -","- C296 H444 N8 O32 Tb4 -","4","0.5","","Jiao, Yushu; Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Izarova, Natalya V.; Campbell, Cameron L.; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul","Exploiting complementary ligands for the construction of square antiprismatic monometallic lanthanide SMMs.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9648","9654","10.1039/d1dt00359c","","","1.54178","CuKα","","0.0529","0.0526","","","0.1398","0.1399","","","","","","1.359","","","","has coordinates,has disorder","268723","2021-09-06","10:58:59",""
"7707707","13.86852","0.00019","13.7985","0.0002","7.47677","0.00009","90","","90","","90","","1430.79","0.03","295","","295","","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- H8 Na8 O36 P8 V4 -","- H8 Na8 O36 P8 V4 -","- H16 Na16 O72 P16 V8 -","2","0.25","","Lepoittevin, C.; Leynaud, O.; Neveu, A.; Barbier, T.; Gnanavel, M.; Gopal, V.; Pralong, V.","Na<sub>2</sub>VO(HPO<sub>4</sub>)<sub>2</sub>: an original phase solved by continuous 3D electron diffraction and powder X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9725","9734","10.1039/d1dt01548f","powder diffraction","","","CuKα","","","","","","","","","28.7738","4.46","","","","","","","has coordinates","268707","2021-09-06","10:53:15",""
"7707708","19.075","0.003","12.3733","0.0018","27.043","0.004","90","","107.465","0.005","90","","6088.5","1.6","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C84 H164 Co4 Ho4 N2 O44 -","- C84 H160 Co4 Ho4 N2 O44 -","- C168 H320 Co8 Ho8 N4 O88 -","2","0.5","","Basak, Dipmalya; Martí, Emma Regincós; Murrie, Mark; Nemec, Ivan; Ray, Debashis","Solvent-induced structural transformation from heptanuclear to decanuclear [Co-Ln] coordination clusters: trapping of unique counteranion and understanding of aggregation pathways.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9574","9588","10.1039/d1dt01278a","","","0.71073","MoKα","","0.0686","0.0509","","","0.1278","0.1438","","","","","","1.052","","","","has coordinates,has disorder","268726","2021-09-06","10:59:58",""
"7707709","17.9546","0.0011","38.827","0.002","18.589","0.0012","90","","113.214","0.003","90","","11909.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H129 Co7 N4 O37 Tb3 -","- C81 H129 Co7 N4 O37 Tb3 -","- C324 H516 Co28 N16 O148 Tb12 -","4","1","","Basak, Dipmalya; Martí, Emma Regincós; Murrie, Mark; Nemec, Ivan; Ray, Debashis","Solvent-induced structural transformation from heptanuclear to decanuclear [Co-Ln] coordination clusters: trapping of unique counteranion and understanding of aggregation pathways.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9574","9588","10.1039/d1dt01278a","","","0.71073","MoKα","","0.1604","0.0781","","","0.1918","0.2491","","","","","","1.001","","","","has coordinates,has disorder","268726","2021-09-06","10:59:59",""
"7707710","18.1864","0.0011","38.561","0.002","18.5641","0.0011","90","","108.441","0.003","90","","12350.2","1.2","300","2","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H136 Co7 Dy3 N4 O38 -","- C86 H136 Co7 Dy3 N4 O38 -","- C344 H544 Co28 Dy12 N16 O152 -","4","0.5","","Basak, Dipmalya; Martí, Emma Regincós; Murrie, Mark; Nemec, Ivan; Ray, Debashis","Solvent-induced structural transformation from heptanuclear to decanuclear [Co-Ln] coordination clusters: trapping of unique counteranion and understanding of aggregation pathways.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9574","9588","10.1039/d1dt01278a","","","0.71073","MoKα","","0.1654","0.0892","","","0.2314","0.3104","","","","","","1.038","","","","has coordinates,has disorder","268726","2021-09-06","10:59:59",""
"7707711","19.1693","0.0009","12.4008","0.0007","27.0683","0.0013","90","","107.573","0.003","90","","6134.3","0.5","298","2","298","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C84 H164 Co4 N2 O44 Tb4 -","- C84 H160 Co4 N2 O44 Tb4 -","- C168 H320 Co8 N4 O88 Tb8 -","2","0.5","","Basak, Dipmalya; Martí, Emma Regincós; Murrie, Mark; Nemec, Ivan; Ray, Debashis","Solvent-induced structural transformation from heptanuclear to decanuclear [Co-Ln] coordination clusters: trapping of unique counteranion and understanding of aggregation pathways.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9574","9588","10.1039/d1dt01278a","","","0.71073","MoKα","","0.078","0.0502","","","0.1252","0.151","","","","","","1.086","","","","has coordinates,has disorder","268726","2021-09-06","10:59:59",""
"7707712","18.1767","0.0011","38.392","0.002","18.6387","0.001","90","","108.166","0.002","90","","12358.5","1.2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86 H136 Co7 Ho3 N4 O38 -","- C86 H136 Co7 Ho3 N4 O38 -","- C344 H544 Co28 Ho12 N16 O152 -","4","0.5","","Basak, Dipmalya; Martí, Emma Regincós; Murrie, Mark; Nemec, Ivan; Ray, Debashis","Solvent-induced structural transformation from heptanuclear to decanuclear [Co-Ln] coordination clusters: trapping of unique counteranion and understanding of aggregation pathways.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9574","9588","10.1039/d1dt01278a","","","0.71073","MoKα","","0.1509","0.0912","","","0.2141","0.2737","","","","","","1.09","","","","has coordinates","268726","2021-09-06","10:59:59",""
"7707713","10.0703","0.0003","9.7655","0.0003","28.8888","0.0009","90","","91.964","0.003","90","","2839.3","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 Nd O11 -","- C27 H31 Nd O11 -","- C108 H124 Nd4 O44 -","4","1","","Topor, Alexandru; Avram, Daniel; Dascalu, Radu; Maxim, Catalin; Tiseanu, Carmen; Andruh, Marius","Luminescence thermometry based on one-dimensional benzoato-bridged coordination polymers containing lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9881","9890","10.1039/d1dt01550h","","","0.71073","MoKα","","0.0672","0.0619","","","0.2022","0.2045","","","","","","1.647","","","","has coordinates","268719","2021-09-06","10:56:51",""
"7707714","9.8516","0.0002","12.2547","0.0003","13.9649","0.0003","107.133","0.002","102.977","0.002","102.315","0.002","1497.64","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H70 O22 Tb2 -","- C58 H70 O22 Tb2 -","- C58 H70 O22 Tb2 -","1","0.5","","Topor, Alexandru; Avram, Daniel; Dascalu, Radu; Maxim, Catalin; Tiseanu, Carmen; Andruh, Marius","Luminescence thermometry based on one-dimensional benzoato-bridged coordination polymers containing lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9881","9890","10.1039/d1dt01550h","","x-ray","0.71073","MoKα","","0.0415","0.0367","","","0.0781","0.081","","","","","","1.035","","","","has coordinates","268719","2021-09-06","10:56:51",""
"7707715","10.7467","0.0003","20.2118","0.0006","21.5322","0.0007","90","","101.444","0.002","90","","4584","0.2","296.15","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H25 Eu F9 N5 O6 S3 -","- C44 H25 Eu F9 N5 O6 S3 -","- C176 H100 Eu4 F36 N20 O24 S12 -","4","1","","Kuznetsov, Kirill M.; Kozlov, Makarii I.; Aslandukov, Andrey N.; Vashchenko, Andrey A.; Medved'ko, Aleksei V.; Latipov, Egor V.; Goloveshkin, Alexander S.; Tsymbarenko, Dmitry M.; Utochnikova, Valentina V.","Eu(tta)<sub>3</sub>DPPZ-based organic light-emitting diodes: spin-coating <i>vs</i>. vacuum-deposition.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9685","9689","10.1039/d1dt01316e","","","0.71073","MoKα","","0.1334","0.0906","","","0.1718","0.1869","","","","","","1.163","","","","has coordinates,has disorder","268718","2021-09-06","10:56:36",""
"7707716","15.5845","0.0008","16.7477","0.0009","16.9751","0.0009","114.048","0.002","100.299","0.002","101.237","0.002","3800","0.4","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N8 O29 Zn4 -","- C82 H56 N8 O29 Zn4 -","- C164 H112 N16 O58 Zn8 -","2","1","","Zou, Jia Yun; Ji, Jie; Fan, Mei Hong; Li, Jia Yu; Wang, Hai Yu; Li, Guo-Dong","A novel multichromic Zn(II) cationic coordination polymer based on a new flexible viologen ligand exhibiting aniline detection in the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10237","10242","10.1039/d1dt01685g","","","1.54178","CuKα","","0.0962","0.0616","","","0.1553","0.1775","","","","","","1.034","","","","has coordinates","268701","2021-09-06","10:52:11",""
"7707717","15.5861","0.0008","16.7515","0.0008","16.9797","0.0008","114.137","0.001","100.258","0.002","101.247","0.002","3799.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N8 O29 Zn4 -","- C82 H56 N8 O29 Zn4 -","- C164 H112 N16 O58 Zn8 -","2","1","","Zou, Jia Yun; Ji, Jie; Fan, Mei Hong; Li, Jia Yu; Wang, Hai Yu; Li, Guo-Dong","A novel multichromic Zn(II) cationic coordination polymer based on a new flexible viologen ligand exhibiting aniline detection in the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10237","10242","10.1039/d1dt01685g","","","0.71073","MoKα","","0.0307","0.0259","","","0.0665","0.0696","","","","","","1.031","","","","has coordinates","268701","2021-09-06","10:52:11",""
"7707718","15.5797","0.0007","16.7473","0.0008","16.9714","0.0008","114.109","0.002","100.262","0.002","101.279","0.002","3795.5","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N8 O29 Zn4 -","- C82 H56 N8 O29 Zn4 -","- C164 H112 N16 O58 Zn8 -","2","1","","Zou, Jia Yun; Ji, Jie; Fan, Mei Hong; Li, Jia Yu; Wang, Hai Yu; Li, Guo-Dong","A novel multichromic Zn(II) cationic coordination polymer based on a new flexible viologen ligand exhibiting aniline detection in the solid state.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10237","10242","10.1039/d1dt01685g","","","0.71073","MoKα","","0.044","0.031","","","0.072","0.0798","","","","","","1.016","","","","has coordinates","268701","2021-09-06","10:52:11",""
"7707719","7.0729","0.0003","11.3899","0.0007","12.9557","0.0008","72.75","0.005","75.757","0.005","74.628","0.005","945.08","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","diaqua[N'-(2-hydroxy-3-methoxyphenyl)methylidene-4-methoxybenzohydrazidato] copper(II) nitrate","","- C16 H19 Cu N3 O9 -","- C16 H19 Cu N3 O9 -","- C32 H38 Cu2 N6 O18 -","2","1","","Balsa, Lucia M.; Ferraresi-Curotto, Verónica; Lavecchia, Martin J.; Echeverría, Gustavo A; Piro, Oscar E.; García-Tojal, Javier; Pis-Diez, Reinaldo; González-Baró, Ana C; León, Ignacio E","Anticancer activity of a new copper(II) complex with a hydrazone ligand. Structural and spectroscopic characterization, computational simulations and cell mechanistic studies on 2D and 3D breast cancer cell models.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9812","9826","10.1039/d1dt00869b","","x-ray","1.54184","CuKα","","0.0536","0.0465","","","0.1329","0.1444","","","","","","1","","","","has coordinates","268714","2021-09-06","10:55:16",""
"7707720","14.9951","0.0001","14.9951","0.0001","26.1521","0.0004","90","","90","","90","","5880.38","0.11","150","0.1","150","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C60 H50.5 Cl3.5 P4 Rh2 -","- C60 H50.5 Cl3.5 P4 Rh2 -","- C240 H202 Cl14 P16 Rh8 -","4","0.5","","Barnett, Harrison J.; Hill, Anthony F.","Benzyne addition to a metal-carbon multiple bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9383","9387","10.1039/d1dt01402a","","x-ray","1.54184","CuKα","","0.0353","0.034","","","0.0986","0.0999","","","","","","1.101","","","","has coordinates,has disorder","268731","2021-09-06","11:02:50",""
"7707721","15.01727","0.00005","15.01727","0.00005","26.39108","0.00012","90","","90","","90","","5951.67","0.04","150","0.1","150","0.1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C70 H51 Cl3 P4 Rh2 -","- C70 H51 Cl3 P4 Rh2 -","- C280 H204 Cl12 P16 Rh8 -","4","0.5","","Barnett, Harrison J.; Hill, Anthony F.","Benzyne addition to a metal-carbon multiple bond.","Dalton transactions (Cambridge, England : 2003)","2021","50","27","9383","9387","10.1039/d1dt01402a","","x-ray","1.54184","CuKα","","0.0311","0.03","","","0.0802","0.0818","","","","","","1.067","","","","has coordinates,has disorder","268731","2021-09-06","11:02:50",""
"7707722","6.89","0.0007","9.7495","0.001","14.5033","0.0016","90","","91.393","0.002","90","","973.96","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu2 O9 -","- C6 H8 Cu2 O9 -","- C24 H32 Cu8 O36 -","4","1","","Zhang, Xiao-Sa; Zhao, Hong-Tian; Liu, Yu; Li, Wen-Ze; Wang, Yan; Zhao, Xiao-Yu; Yang, Ai-Ai; Luan, Jian","Efficient and selective removal of Congo red by a C@Mo composite nanomaterial using a citrate-based coordination polymer as the precursor.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10549","10560","10.1039/d1dt01655e","","","0.71073","MoKα","","0.0732","0.0453","","","0.0952","0.1079","","","","","","1.003","","","","has coordinates","268779","2021-09-06","11:17:54",""
"7707723","8.113","0.0006","14.0621","0.0006","8.9405","0.0003","90","","110.376","0.004","90","","956.16","0.09","119.7","0.4","119.7","0.4","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 Cd N10 -","- C16 H16 Cd N10 -","- C32 H32 Cd2 N20 -","2","1","","Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam","Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10580","10592","10.1039/d1dt01675j","","","0.71073","MoKα","","0.0591","0.0531","","","0.148","0.1534","","","","","","1.079","","","","has coordinates","268775","2021-09-06","11:16:50",""
"7707724","9.9628","0.0005","14.1773","0.0006","14.0487","0.0004","90","","90","","90","","1984.32","0.14","295","2","295","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C16 H16 Cd N10 -","- C16 H16 Cd N10 -","- C64 H64 Cd4 N40 -","4","0.5","","Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam","Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10580","10592","10.1039/d1dt01675j","","","0.71073","MoKα","","0.0445","0.0268","","","0.0528","0.0584","","","","","","1.016","","","","has coordinates,has disorder","268775","2021-09-06","11:16:53",""
"7707725","7.6054","0.0003","9.5171","0.0004","10.8397","0.0007","94.828","0.004","94.349","0.005","105.697","0.008","748.66","0.07","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H28 Co2 N4 O20 -","- C20 H28 Co2 N4 O20 -","- C20 H28 Co2 N4 O20 -","1","1","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","0.71073","MoKα","","0.0733","0.0571","","","0.1542","0.1709","","","","","","1.045","","","","has coordinates","268791","2021-09-06","11:21:25",""
"7707726","7.815","0.004","8.146","0.004","12.074","0.005","94.45","0.02","107.185","0.015","114.89","0.019","647.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 Co N2 S2 -","- C10 H8 Cl2 Co N2 S2 -","- C20 H16 Cl4 Co2 N4 S4 -","2","1","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","0.71073","MoKα","","0.0339","0.0266","","","0.0648","0.068","","","","","","1.077","","","","has coordinates","268791","2021-09-06","11:21:31",""
"7707727","18.683","0.005","31.423","0.01","36.377","0.012","90","","90","","90","","21356","11","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C35 H40 Co3 N7 O27 S -","- C35 H40 Co3 N7 O27 S -","- C560 H640 Co48 N112 O432 S16 -","16","0.5","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","0.71073","MoKα","","0.1044","0.0671","","","0.2073","0.2324","","","","","","1.08","","","","has coordinates,has disorder","268791","2021-09-06","11:21:31",""
"7707728","10.2426","0.0005","24.3027","0.0011","10.597","0.0005","90","","111.834","0.001","90","","2448.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H82 Co4 N16 O33 S8 -","- C84 H82 Co4 N16 O33 S8 -","- C84 H82 Co4 N16 O33 S8 -","1","0.25","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","0.71073","MoKα","","0.0656","0.0397","","","0.0982","0.1236","","","","","","1.073","","","","has coordinates","268791","2021-09-06","11:21:31",""
"7707729","17.558","0.0007","17.5972","0.0006","18.1414","0.0007","90","","117.958","0.002","90","","4951","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C62 H74 Co6 N12 O53 S -","- C62 H74 Co6 N12 O53 S -","- C124 H148 Co12 N24 O106 S2 -","2","1","","de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda","Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10707","10728","10.1039/d1dt01693h","","","1.54178","CuKα","","0.0996","0.0638","","","0.1574","0.1758","","","","","","0.955","","","","has coordinates,has disorder","268791","2021-09-06","11:21:31",""
"7707730","18.7181","0.0015","9.2996","0.0005","17.7227","0.0016","90","","111.834","0.01","90","","2863.7","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ir(ppy)2(dipyrrinato)","","- C37 H27 Ir N4 -","- C37 H27 Ir N4 -","- C148 H108 Ir4 N16 -","4","1","","Zhang, Hongyang; Wang, Haitao; Tanner, Kevin; Schlachter, Adrien; Chen, Zhao; Harvey, Pierre D.; Chen, Shuming; Wong, Wai-Yeung","New phosphorescent iridium(III) dipyrrinato complexes: synthesis, emission properties and their deep red to near-infrared OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10629","10639","10.1039/d1dt01557e","","x-ray","0.71073","MoKα","","0.0758","0.0581","","","0.1276","0.1371","","","","","","1.114","","","","has coordinates","268780","2021-09-06","11:18:17",""
"7707731","10.6958","0.0006","18.4049","0.0012","14.5378","0.0009","90","","106.254","0.006","90","","2747.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ir(piq)2(acac)","","- C35 H27 Ir N2 O2 -","- C35 H27 Ir N2 O2 -","- C140 H108 Ir4 N8 O8 -","4","1","","Zhang, Hongyang; Wang, Haitao; Tanner, Kevin; Schlachter, Adrien; Chen, Zhao; Harvey, Pierre D.; Chen, Shuming; Wong, Wai-Yeung","New phosphorescent iridium(III) dipyrrinato complexes: synthesis, emission properties and their deep red to near-infrared OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10629","10639","10.1039/d1dt01557e","","x-ray","0.71073","MoKα","","0.0517","0.0374","","","0.0757","0.083","","","","","","1.049","","","","has coordinates","268780","2021-09-06","11:18:29",""
"7707732","14.908","0.0008","25.4347","0.0014","10.7746","0.0006","90","","107.152","0.005","90","","3903.8","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ir(piq)2(dipyrrinato)","","- C45 H31 Ir N4 -","- C45 H31 Ir N4 -","- C180 H124 Ir4 N16 -","4","0.5","","Zhang, Hongyang; Wang, Haitao; Tanner, Kevin; Schlachter, Adrien; Chen, Zhao; Harvey, Pierre D.; Chen, Shuming; Wong, Wai-Yeung","New phosphorescent iridium(III) dipyrrinato complexes: synthesis, emission properties and their deep red to near-infrared OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10629","10639","10.1039/d1dt01557e","","x-ray","0.71073","MoKα","","0.0547","0.0438","","","0.0875","0.0927","","","","","","1.022","","","","has coordinates","268780","2021-09-06","11:18:32",""
"7707733","28.881","0.006","8.709","0.0017","8.638","0.0017","90","","90","","90","","2172.7","0.8","293","2","293","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C10 H16 I4 N2 S2 Sn -","- C10 H16 I4 N2 S2 Sn -","- C40 H64 I16 N8 S8 Sn4 -","4","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.7","","","0.1271","0.0928","","","0.2535","0.279","","","","","","1.599","","","","has coordinates","268700","2021-09-06","10:51:51",""
"7707734","16.3823","0.0011","8.8619","0.0007","8.8431","0.0007","90","","92.704","0.007","90","","1282.4","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 I4 N2 O4 Sn -","- C10 H24 I4 N2 O4 Sn -","- C20 H48 I8 N4 O8 Sn2 -","2","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.71073","MoKα","","0.2964","0.2841","","","0.6615","0.6695","","","","","","3.407","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707735","16.341","0.005","8.8044","0.0017","8.7912","0.0017","90","","91.19","0.02","90","","1264.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 I4 N2 O2 Sn -","- C10 H24 I4 N2 O2 Sn -","- C20 H48 I8 N4 O4 Sn2 -","2","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.71073","MoKα","","0.1744","0.163","","","0.3832","0.3905","","","","","","1.159","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707736","8.773","0.0018","8.658","0.0017","28.961","0.006","90","","90","","90","","2199.8","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 I4 N2 S2 Sn -","- C10 H16 I4 N2 S2 Sn -","- C40 H64 I16 N8 S8 Sn4 -","4","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.7","synchrotron","","0.1694","0.1587","","","0.2828","0.291","","","","","","1.208","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707737","8.797","0.0018","8.688","0.0017","29.17","0.006","90","","90","","90","","2229.4","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 I4 N2 S2 Sn -","- C10 H16 I4 N2 S2 Sn -","- C40 H64 I16 N8 S8 Sn4 -","4","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.7","","","0.082","0.0745","","","0.2463","0.2555","","","","","","1.153","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707738","16.2796","0.001","8.7331","0.0006","8.7397","0.0008","90","","92.181","0.006","90","","1241.64","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 I4 N2 O2 Sn -","- C10 H24 I4 N2 O2 Sn -","- C20 H48 I8 N4 O4 Sn2 -","2","0.5","","Jung, Mi-Hee","The red light emission in 2D (C<sub>4</sub>SH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> and (C<sub>4</sub>OH<sub>7</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>SnI<sub>4</sub> perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10261","10274","10.1039/d1dt01465j","","","0.71073","MoKα","","0.3974","0.386","","","0.7606","0.7714","","","","","","4.333","","","","has coordinates","268700","2021-09-06","10:51:57",""
"7707739","7.6852","0.0009","14.3722","0.0013","6.6944","0.0006","90","","104.152","0.01","90","","716.98","0.13","106","","106","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-ethylacetyl-5H-tetrazole","2-(1H-tetrazol-1-yl)ethyl acetate","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C20 H32 N16 O8 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0494","0.0352","","","0.0746","0.083","","","","","","1.068","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707740","7.3292","0.0008","14.3427","0.0015","6.3485","0.0005","90","","90","","90","","667.36","0.11","128","","128","","","","","","","","","4","P n a 21","P 2c -2n","33","2-nitratoethyl-5H-tetrazole","2-nitratoethyl-5H-tetrazole","","- C3 H5 N5 O3 -","- C3 H5 N5 O3 -","- C12 H20 N20 O12 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0496","0.0361","","","0.0733","0.0806","","","","","","1.058","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707741","10.8769","0.0008","10.8942","0.0009","12.4267","0.0012","68.548","0.008","88.553","0.007","61.016","0.008","1177.8","0.2","102","","102","","","","","","","","","6","P -1","-P 1","2","hexakis(1-nitrratoethyl-5H-tetrazolyl) zinc(II) diperchlorate","hexakis(1-nitrratoethyl-5H-tetrazolyl) zinc(II) diperchlorate","","- C18 H30 Cl2 N30 O26 Zn -","- C18 H30 Cl2 N30 O26 Zn -","- C18 H30 Cl2 N30 O26 Zn -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.09","0.0513","","","0.0864","0.1045","","","","","","1.044","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707742","20.6706","0.0013","7.2984","0.0004","16.4791","0.0009","90","","109.752","0.007","90","","2339.8","0.3","99","","99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tris(1-nitratoethyl-5H-tetrazole) dinitrato copper(II)","tris(1-nitratoethyl-5H-tetrazole) dinitrato copper(II)","","- C9 H15 Cu N17 O15 -","- C9 H15 Cu N17 O15 -","- C36 H60 Cu4 N68 O60 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0713","0.0442","","","0.0797","0.0916","","","","","","1.02","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707743","6.5499","0.0004","8.769","0.0006","14.0403","0.0011","71.967","0.006","89.224","0.005","74.396","0.005","736.4","0.1","132","","132","","","","","","","","","5","P -1","-P 1","2","bis(2-nitratoethyl-5H-tetrazole) dipicrato copper(II)","bis(2-nitratoethyl-5H-tetrazole) dipicrato copper(II)","","- C18 H14 Cu N16 O20 -","- C18 H14 Cu N16 O20 -","- C18 H14 Cu N16 O20 -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0581","0.0432","","","0.0875","0.0949","","","","","","1.027","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707744","10.3415","0.0006","10.4028","0.0006","10.8539","0.0006","71.766","0.005","78.429","0.005","80.742","0.005","1080.44","0.11","102","","102","","","","","","","","","5","P -1","-P 1","2","bis(2-nitratoethyl-5H-tetrazole) trinitrophloroglucinato copper(II)","bis(2-nitratoethyl-5H-tetrazole) trinitrophloroglucinato copper(II)","","- C12 H11 Cu N13 O15 -","- C12 H11 Cu N13 O15 -","- C24 H22 Cu2 N26 O30 -","2","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0451","0.0348","","","0.0819","0.088","","","","","","1.031","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707745","13.1234","0.0009","6.3864","0.0005","12.8363","0.0008","90","","110.16","0.006","90","","1009.92","0.13","102","","102","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(1-nitratoethyl-5H-tetrazolyl) bis(dinitramido) copper(II)","bis(1-nitratoethyl-5H-tetrazolyl) bis(dinitramido) copper(II)","","- C6 H10 Cu N16 O14 -","- C6 H10 Cu N16 O14 -","- C12 H20 Cu2 N32 O28 -","2","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0375","0.029","","","0.0685","0.0743","","","","","","1.082","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707746","12.5931","0.001","5.6798","0.0003","31.354","0.003","90","","90.669","0.007","90","","2242.5","0.3","104","","104","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","1-nitratoethyl-5H-tetrazole difulminato disilver(I)","1-nitratoethyl-5H-tetrazole difulminato disilver(I)","","- C5 H5 Ag2 N7 O5 -","- C5 H5 Ag2 N7 O5 -","- C40 H40 Ag16 N56 O40 -","8","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.035","0.0251","","","0.0571","0.0616","","","","","","1.041","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707747","10.1859","0.0008","10.4855","0.0008","10.8414","0.0007","72.332","0.006","77.521","0.006","81.225","0.006","1072.51","0.14","102","","102","","","","","","","","","5","P -1","-P 1","2","trinitroresorcinato di(2-nitratoethyl-5H-tetrazolyl copper(II)","trinitroresorcinato di(2-nitratoethyl-5H-tetrazolyl copper(II)","","- C12 H11 Cu N13 O14 -","- C12 H11 Cu N13 O14 -","- C24 H22 Cu2 N26 O28 -","2","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0692","0.0486","","","0.1204","0.1363","","","","","","1.057","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707748","8.9977","0.0006","10.9877","0.0007","12.9353","0.0009","88.113","0.005","69.868","0.007","66.507","0.007","1093.07","0.15","101","","101","","","","","","","","","5","P -1","-P 1","2","trinitroresorcinato tetrakis(1-nitratoethyl-5H-tetrazole) copper(II)","trinitroresorcinato tetrakis(1-nitratoethyl-5H-tetrazole) copper(II)","","- C24 H24 Cu N26 O28 -","- C24 H24 Cu N26 O28 -","- C24 H24 Cu N26 O28 -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0547","0.0429","","","0.0984","0.1062","","","","","","1.029","","","","has coordinates,has disorder","268787","2021-09-06","11:20:14",""
"7707749","20.8315","0.0006","6.5682","0.0002","9.814","0.0003","90","","103.473","0.003","90","","1305.85","0.07","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-nitratoethyl-5H-tetrazole","1-nitratoethyl-5H-tetrazole","","- C3 H5 N5 O3 -","- C3 H5 N5 O3 -","- C24 H40 N40 O24 -","8","2","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0388","0.0339","","","0.0768","0.0793","","","","","","1.116","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707750","10.9319","0.0008","10.9517","0.0006","12.4811","0.0007","88.318","0.004","68.294","0.006","61.051","0.007","1194.09","0.17","123","","123","","","","","","","","","6","P -1","-P 1","2","hexakis(1-nitratoethyl-5H-tetrazole) manganese(II) perchlorate","hexakis(1-nitratoethyl-5H-tetrazole) manganese(II) perchlorate","","- C18 H30 Cl2 Mn N30 O26 -","- C18 H30 Cl2 Mn N30 O26 -","- C18 H30 Cl2 Mn N30 O26 -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0714","0.0452","","","0.1023","0.1146","","","","","","1.039","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707751","15.7453","0.0011","5.7379","0.0004","16.3858","0.0014","90","","109.892","0.009","90","","1392","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-nitratoethyl-5H-tetrazole dicopper(I)) tetrazide","2-nitratoethyl-5H-tetrazole dicopper(I)) tetrazide","","- C3 H5 Cu2 N17 O3 -","- C3 H5 Cu2 N17 O3 -","- C12 H20 Cu8 N68 O12 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0842","0.0514","","","0.099","0.1124","","","","","","1.017","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707752","6.2622","0.0004","10.5985","0.0008","15.9381","0.0014","102.119","0.003","96.226","0.003","91.774","0.003","1026.56","0.14","173","","173","","","","","","","","","5","P -1","-P 1","2","1-nitratoethyl-5H-tetrazole diazido copper(II)","1-nitratoethyl-5H-tetrazole diazido copper(II)","","- C6 H10 Cu2 N22 O6 -","- C6 H10 Cu2 N22 O6 -","- C12 H20 Cu4 N44 O12 -","2","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","","0.71073","MoKα","","0.0608","0.0397","","","0.0728","0.0789","","","","","","1.047","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707753","9.004","0.0007","10.8642","0.0009","12.9713","0.0012","87.922","0.007","69.74","0.008","67.742","0.008","1095.07","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","trinitrophloroglucinato tetrakis(1-nitratoethyl-5H-tetrazole) copper(II)","trinitrophloroglucinato tetrakis(1-nitratoethyl-5H-tetrazole) copper(II)","","- C24 H24 Cu N26 O30 -","- C24 H24 Cu N26 O30 -","- C24 H24 Cu N26 O30 -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.1156","0.0636","","","0.1092","0.1326","","","","","","1.027","","","","has coordinates,has disorder","268787","2021-09-06","11:20:14",""
"7707754","8.4568","0.0006","11.2204","0.0008","16.7588","0.001","101.08","0.005","103.168","0.005","107.579","0.006","1416.56","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","trinitrophloroglucinato tetrakis(2-nitratoethyl-5H-tetrazole) copper(II) di(2-nitratoethyl-5H-tetrazole)","trinitrophloroglucinato tetrakis(2-nitratoethyl-5H-tetrazole) copper(II) di(2-nitratoethyl-5H-tetrazole)","","- C30 H34 Cu N36 O36 -","- C30 H34 Cu N36 O36 -","- C30 H34 Cu N36 O36 -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0967","0.0534","","","0.0963","0.1184","","","","","","1.021","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707755","8.0432","0.0004","17.7448","0.0008","21.2063","0.0011","90","","96.689","0.002","90","","3006.1","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(1-nitratoethyl-5H-tetrazole) dipicrato copper(II)","bis(1-nitratoethyl-5H-tetrazole) dipicrato copper(II)","","- C18 H14 Cu N16 O20 -","- C18 H14 Cu N16 O20 -","- C72 H56 Cu4 N64 O80 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","","0.71073","MoKα","","0.0517","0.039","","","0.0916","0.0979","","","","","","1.074","","","","has coordinates,has disorder","268787","2021-09-06","11:20:14",""
"7707756","15.0209","0.0006","5.477","0.0002","10.6783","0.0005","90","","91.237","0.002","90","","878.29","0.06","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-nitratoethyl-5H-tetrazole silver(I) fulminate","1-nitratoethyl-5H-tetrazole silver(I) fulminate","","- C4 H5 Ag N6 O4 -","- C4 H5 Ag N6 O4 -","- C16 H20 Ag4 N24 O16 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","","0.71073","MoKα","","0.0194","0.0181","","","0.0415","0.0423","","","","","","1.062","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707757","10.8193","0.0009","10.9055","0.001","12.2584","0.001","88.625","0.007","68.707","0.008","61.944","0.009","1170.2","0.2","114","","114","","","","","","","","","6","P -1","-P 1","2","hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) diperchlorate","hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) diperchlorate","","- C18 H30 Cl2 Cu N30 O26 -","- C18 H30 Cl2 Cu N30 O26 -","- C18 H30 Cl2 Cu N30 O26 -","1","0.5","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","x-ray","0.71073","MoKα","","0.0865","0.0538","","","0.085","0.1041","","","","","","1.035","","","","has coordinates","268787","2021-09-06","11:20:14",""
"7707758","10.721","0.003","18.897","0.005","23.186","0.006","90","","97.284","0.01","90","","4659","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) dichlorate","hexakis(1-nitrratoethyl-5H-tetrazolyl) copper(II) dichlorate","","- C18 H30 Cl2 Cu N30 O24 -","- C18 H30 Cl2 Cu N30 O24 -","- C72 H120 Cl8 Cu4 N120 O96 -","4","1","","Gruhne, Michael S.; Lenz, Tobias; Rösch, Markus; Lommel, Marcus; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M; Stierstorfer, Jörg","Nitratoethyl-5H-tetrazoles: improving the oxygen balance through application of organic nitrates in energetic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10811","10825","10.1039/d1dt01898a","","","0.71073","MoKα","","0.0762","0.0646","","","0.1705","0.1824","","","","","","1.036","","","","has coordinates,has disorder","268787","2021-09-06","11:20:14",""
"7707759","7.132","0.0013","7.9809","0.0014","11.866","0.002","75.051","0.003","86.238","0.003","69.071","0.003","609.24","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C6 H16 B10 -","- C6 H16 B10 -","- C12 H32 B20 -","2","1","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0981","0.0877","","","0.2358","0.2512","","","","","","1.034","","","","has coordinates","268782","2021-09-06","11:18:55",""
"7707760","13.1174","0.0016","7.5074","0.0009","15.2749","0.0019","90","","90","","90","","1504.2","0.3","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H20 B9 Co -","- C11 H18 B9 Co -","- C44 H72 B36 Co4 -","4","0.5","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0857","0.0704","","","0.1811","0.189","","","","","","1.201","","","","has coordinates","268782","2021-09-06","11:18:56",""
"7707761","14.5623","0.0013","14.7789","0.0013","14.875","0.0013","90","","90","","90","","3201.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H26 B9 N -","- C9 H26 B9 N -","- C72 H208 B72 N8 -","8","1","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0959","0.0698","","","0.2002","0.2345","","","","","","1.026","","","","has coordinates","268782","2021-09-06","11:18:56",""
"7707762","14.425","0.002","9.7455","0.0014","18.373","0.003","90","","102.413","0.002","90","","2522.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 B10 Ru -","- C22 H34 B10 Ru -","- C88 H136 B40 Ru4 -","4","1","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0385","0.0271","","","0.0734","0.0812","","","","","","1.011","","","","has coordinates","268782","2021-09-06","11:18:56",""
"7707763","18.251","0.004","14.637","0.003","16.567","0.003","90","","114.006","0.003","90","","4042.9","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 B9 Ru -","- C16 H29 B9 Ru -","- C128 H232 B72 Ru8 -","8","2","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0779","0.0501","","","0.1192","0.1402","","","","","","1.071","","","","has coordinates","268782","2021-09-06","11:18:56",""
"7707764","11.3422","0.0002","19.9891","0.0004","15.9694","0.0004","90","","110.231","0.001","90","","3397.21","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 B9 Ni P2 -","- C33 H41 B9 Ni P2 -","- C132 H164 B36 Ni4 P8 -","4","1","","Chan, Tek Long; Lu, Zhenpin; Xie, Zuowei","Synthesis and structure of metallacarboranes bearing carborane-fused cyclopentenyl and dicarbollyl-fused cyclopentene ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10615","10620","10.1039/d1dt01592c","","","0.71073","MoKα","","0.0799","0.0454","","","0.1011","0.1144","","","","","","1.022","","","","has coordinates,has disorder","268782","2021-09-06","11:18:56",""
"7707765","9.8794","0.0004","8.906","0.0004","19.7825","0.0008","90","","119.608","0.003","90","","1513.31","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 B3 F12 K N2 -","- C7 H16 B3 F12 K N2 -","- C28 H64 B12 F48 K4 N8 -","4","1","","Zhang, Tie; Song, Shuang-Teng; Zhu, Hao-Nan; Chu, Lu-Lu; Fu, Da-Wei; Zhang, Yi","Unique cation-template three-dimensional hybrid material demonstrates dielectric switchable response.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10142","10146","10.1039/d1dt01812d","","","0.71073","MoKα","","0.1498","0.1424","","","0.2964","0.2987","","","","","","1.163","","","","has coordinates","268705","2021-09-06","10:52:58",""
"7707766","10.0564","0.0003","10.0564","0.0003","43.757","0.006","90","","90","","120","","3832.3","0.5","300","2","300","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C35 H64 B15 F60 K5 N10 -","- C35 H63.9988 B15 F60 K5 N10 -","- C70 H127.998 B30 F120 K10 N20 -","2","0.166667","","Zhang, Tie; Song, Shuang-Teng; Zhu, Hao-Nan; Chu, Lu-Lu; Fu, Da-Wei; Zhang, Yi","Unique cation-template three-dimensional hybrid material demonstrates dielectric switchable response.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10142","10146","10.1039/d1dt01812d","","","0.71073","MoKα","","0.0676","0.0641","","","0.1802","0.1833","","","","","","1.059","","","","has coordinates","268705","2021-09-06","10:52:59",""
"7707767","7.6376","0.0007","10.6097","0.0015","10.4208","0.0014","90","","109.602","0.013","90","","795.49","0.18","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 Fe N O3 -","- C19 H17 Fe N O3 -","- C38 H34 Fe2 N2 O6 -","2","1","","Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","The origin of supramolecular chirality in 1-ferrocenyl amino acids.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9695","9699","10.1039/d1dt01905h","","x-ray","1.54184","CuKα","","0.0523","0.0455","","","0.1036","0.1073","","","","","","1.026","","","","has coordinates","268713","2021-09-06","10:55:06",""
"7707768","7.1314","0.0003","10.4452","0.0004","10.013","0.0005","90","","105.488","0.005","90","","718.77","0.06","173","0.1","173","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 Fe N O3 -","- C16 H19 Fe N O3 -","- C32 H38 Fe2 N2 O6 -","2","1","","Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","The origin of supramolecular chirality in 1-ferrocenyl amino acids.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9695","9699","10.1039/d1dt01905h","","x-ray","1.54184","CuKα","","0.0397","0.0358","","","0.0808","0.0822","","","","","","0.988","","","","has coordinates","268713","2021-09-06","10:55:07",""
"7707769","9.9913","0.0002","9.9535","0.0002","29.2374","0.0006","90","","97.299","0.002","90","","2884.05","0.1","173","0.1","173","0.1","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C28 H30 Fe2 N2 O6 -","- C28 H30 Fe2 N2 O6 -","- C112 H120 Fe8 N8 O24 -","4","1","","Zong, Zhaohui; Zhang, Heng; Hao, Aiyou; Xing, Pengyao","The origin of supramolecular chirality in 1-ferrocenyl amino acids.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9695","9699","10.1039/d1dt01905h","","x-ray","1.54184","CuKα","","0.0458","0.0413","","","0.1091","0.1116","","","","","","1.101","","","","has coordinates","268713","2021-09-06","10:55:07",""
"7707770","7.1151","0.0011","15.212","0.003","16.066","0.003","90","","90","","90","","1738.9","0.5","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Al O S -","- C20 H21 Al O S -","- C80 H84 Al4 O4 S4 -","4","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0658","0.0425","","","0.0928","0.1023","","","","","","0.966","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707771","10.039","0.002","13.899","0.002","22.275","0.006","104.494","0.013","94.867","0.017","98.565","0.013","2951.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H75 Al2 O2 Si2 -","- C70 H75 Al2 O2 Si2 -","- C140 H150 Al4 O4 Si4 -","2","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0443","0.0385","","","0.1134","0.1184","","","","","","1.031","","","","has coordinates,has disorder","268777","2021-09-06","11:17:24",""
"7707772","25.3861","0.0008","7.1604","0.0003","18.1719","0.0006","90","","108.642","0.001","90","","3129.89","0.19","105","2","105","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 Al Br O -","- C16 H18 Al Br O -","- C128 H144 Al8 Br8 O8 -","8","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0653","0.0557","","","0.1314","0.1382","","","","","","1.089","","","","has coordinates,has disorder","268777","2021-09-06","11:17:24",""
"7707773","8.254","0.002","23.994","0.007","19.369","0.006","90","","102.014","0.008","90","","3751.9","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Al Br O P -","- C18 H23 Al Br O P -","- C144 H184 Al8 Br8 O8 P8 -","8","2","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.138","0.0675","","","0.1349","0.1603","","","","","","1.005","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707774","8.6539","0.0019","8.928","0.002","8.996","0.004","81.732","0.008","72.45","0.03","83.028","0.009","653.6","0.4","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H34 Al2 -","- C32 H34 Al2 -","- C32 H34 Al2 -","1","0.5","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.032","0.0297","","","0.0798","0.0817","","","","","","1.067","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707775","15.9465","0.0006","17.2519","0.0007","21.7463","0.0009","90","","102.646","0.002","90","","5837.4","0.4","100","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H79 Al2 B2 Br2 N2 O2 -","- C61 H79 Al2 B2 Br2 N2 O2 -","- C244 H316 Al8 B8 Br8 N8 O8 -","4","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0816","0.0553","","","0.1386","0.1549","","","","","","1.026","","","","has coordinates,has disorder","268777","2021-09-06","11:17:24",""
"7707776","8.4472","0.0003","14.5331","0.0005","14.8704","0.0006","90","","105.11","0.002","90","","1762.44","0.11","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Al Br N2 -","- C19 H18 Al Br N2 -","- C76 H72 Al4 Br4 N8 -","4","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0488","0.0342","","","0.0757","0.0819","","","","","","1.098","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707777","8.3702","0.0002","23.2949","0.0006","20.455","0.0005","90","","98.189","0.001","90","","3947.71","0.17","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Al Br N2 -","- C21 H24 Al Br N2 -","- C168 H192 Al8 Br8 N16 -","8","2","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0389","0.0318","","","0.0787","0.0823","","","","","","1.032","","","","has coordinates,has disorder","268777","2021-09-06","11:17:24",""
"7707778","8.523","0.003","19.29","0.007","8.998","0.003","90","","105.63","0.02","90","","1424.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H32 Al Br N2 -","- C33 H32 Al Br N2 -","- C66 H64 Al2 Br2 N4 -","2","0.5","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0376","0.034","","","0.0994","0.1018","","","","","","1.114","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707779","11.46","0.003","13.928","0.004","17.4","0.004","105.12","0.02","93.95","0.02","111.893","0.012","2444.6","1.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H37 Al -","- C29 H37 Al -","- C116 H148 Al4 -","4","2","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0665","0.0497","","","0.1174","0.1257","","","","","","1.045","","","","has coordinates,has disorder","268777","2021-09-06","11:17:24",""
"7707780","10.4798","0.0012","15.3785","0.0017","17.51","0.002","90","","90.889","0.002","90","","2821.6","0.6","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Al Br N -","- C32 H39 Al Br N -","- C128 H156 Al4 Br4 N4 -","4","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0651","0.0426","","","0.107","0.1187","","","","","","1.03","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707781","8.1499","0.0014","30.4057","0.0015","17.238","0.003","90","","121.19","0.02","90","","3654.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn salen phenyl bis[4]helicene","","- C48 H36 N2 O4 Zn -","- C48 H36 N2 O4 Zn -","- C192 H144 N8 O16 Zn4 -","4","1","","Savchuk, Mariia; Vertueux, Steven; Cauchy, Thomas; Loumaigne, Matthieu; Zinna, Francesco; Di Bari, Lorenzo; Zigon, Nicolas; Avarvari, Narcis","Schiff-base [4]helicene Zn(II) complexes as chiral emitters.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10533","10539","10.1039/d1dt01752g","","x-ray","1.54184","CuKα","","0.17","0.0933","","","0.2204","0.2875","","","","","","1.026","","","","has coordinates","268784","2021-09-06","11:19:19",""
"7707782","16.1657","0.0014","4.0638","0.0004","20.4368","0.0016","90","","109.294","0.009","90","","1267.2","0.2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O2 -","- C19 H12 O2 -","- C76 H48 O8 -","4","1","","Savchuk, Mariia; Vertueux, Steven; Cauchy, Thomas; Loumaigne, Matthieu; Zinna, Francesco; Di Bari, Lorenzo; Zigon, Nicolas; Avarvari, Narcis","Schiff-base [4]helicene Zn(II) complexes as chiral emitters.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10533","10539","10.1039/d1dt01752g","","x-ray","1.54184","CuKα","","0.051","0.0454","","","0.1218","0.129","","","","","","1.036","","","","has coordinates","268784","2021-09-06","11:19:19",""
"7707783","10.7403","0.0002","10.8425","0.00016","13.7128","0.0003","90","","109.066","0.002","90","","1509.28","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Savchuk, Mariia; Vertueux, Steven; Cauchy, Thomas; Loumaigne, Matthieu; Zinna, Francesco; Di Bari, Lorenzo; Zigon, Nicolas; Avarvari, Narcis","Schiff-base [4]helicene Zn(II) complexes as chiral emitters.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10533","10539","10.1039/d1dt01752g","","x-ray","1.54184","CuKα","","0.0397","0.037","","","0.0986","0.1021","","","","","","1.055","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7707784","19.96","0.003","8.349","0.002","20.342","0.004","90","","90.642","0.013","90","","3389.7","1.2","150","10","150","10","","","","","","","","5","P 1 2 1","P 2y","3","","Zn salen cyclohexyldiamine (R,R) [4]helicene","","- C88 H68 N4 O6 Zn2 -","- C88 H68 N4 O6 Zn2 -","- C176 H136 N8 O12 Zn4 -","2","1","","Savchuk, Mariia; Vertueux, Steven; Cauchy, Thomas; Loumaigne, Matthieu; Zinna, Francesco; Di Bari, Lorenzo; Zigon, Nicolas; Avarvari, Narcis","Schiff-base [4]helicene Zn(II) complexes as chiral emitters.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10533","10539","10.1039/d1dt01752g","","x-ray","1.54184","CuKα","","0.2592","0.0853","","","0.1557","0.2361","","","","","","0.937","","","","has coordinates","268784","2021-09-06","11:19:19",""
"7707785","8.2348","0.0003","21.7388","0.0009","15.2363","0.0006","90","","103.19","0.002","90","","2655.57","0.18","99.99","","99.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(H)(BH4)(n-BuNC)(PNPH)]","","- C21 H51 B N2 P2 Ru -","- C21 H51 B N2 P2 Ru -","- C84 H204 B4 N8 P8 Ru4 -","4","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0282","0.0227","","","0.0517","0.0539","","","","","","1.032","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7707786","39.454","0.0009","39.454","0.0009","14.127","0.0004","90","","90","","120","","19044.2","0.8","100","2","99.98","","","","","","","","","6","R -3 :H","-R 3","148","","[Fe(Br)(PhCH2NC)2(PNPH)](Br)","","- C32 H51 Br2 Fe N3 P2 -","- C32 H51 Br2 Fe N3 P2 -","- C576 H918 Br36 Fe18 N54 P36 -","18","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0639","0.0374","","","0.0802","0.0889","","","","","","1.025","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7707787","15.7421","0.0009","8.992","0.0004","19.7986","0.0011","90","","109.49","0.003","90","","2642","0.2","100.01","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(H)(Cl)(t-BuNC)(PNPH)]","","- C21 H47 Cl N2 P2 Ru -","- C21 H47 Cl N2 P2 Ru -","- C84 H188 Cl4 N8 P8 Ru4 -","4","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0295","0.0219","","","0.0466","0.0495","","","","","","1.028","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7707788","10.4151","0.0003","10.9654","0.0004","15.7393","0.0005","94.005","0.002","97.658","0.002","96.241","0.002","1764.43","0.1","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","[Ru(H)(PhCH2NC)2(PNPH)](Cl)","","- C32 H54 Cl N3 O P2 Ru -","- C32 H54 Cl N3 O P2 Ru -","- C64 H108 Cl2 N6 O2 P4 Ru2 -","2","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0313","0.0252","","","0.0579","0.0605","","","","","","1.033","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7707789","8.3282","0.0003","11.0727","0.0003","15.3743","0.0005","95.338","0.002","100.577","0.002","101.593","0.002","1352.75","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[Ru(H)(Cl)(PhCH2NC)(PNPH)]","","- C24 H45 Cl N2 P2 Ru -","- C24 H45 Cl N2 P2 Ru -","- C48 H90 Cl2 N4 P4 Ru2 -","2","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0288","0.0244","","","0.0583","0.0603","","","","","","1.055","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7707790","8.309","0.0004","10.6469","0.0004","15.8712","0.0007","89.645","0.002","77.21","0.002","78.95","0.002","1342.86","0.1","100.02","","100.02","","","","","","","","","6","P -1","-P 1","2","","[Ru(H)(BH4)(t-BuNC)(PNPH)]","","- C21 H51 B N2 P2 Ru -","- C21 H51 B N2 P2 Ru -","- C42 H102 B2 N4 P4 Ru2 -","2","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0268","0.0227","","","0.0496","0.0513","","","","","","1.03","","","","has coordinates","268699","2021-09-06","10:51:37",""
"7707791","11.5328","0.0004","16.019","0.0006","18.2909","0.0007","101.844","0.002","98.888","0.002","105.898","0.002","3100","0.2","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","[Ru(H)2(t-BuNC)(PNPH)]2(NaBEt4)","","- C50 H116 B N4 Na P4 Ru2 -","- C50 H116 B N4 Na P4 Ru2 -","- C100 H232 B2 N8 Na2 P8 Ru4 -","2","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0547","0.0463","","","0.1141","0.1227","","","","","","1.052","","","","has coordinates,has disorder","268699","2021-09-06","10:51:38",""
"7707792","11.4473","0.0004","13.7872","0.0005","17.7984","0.0007","100.61","0.002","98.629","0.002","111.026","0.002","2504.68","0.17","99.99","","99.99","","","","","","","","","7","P -1","-P 1","2","","[Fe(Br)(PhCH2NC)2(PNPH)](BPh4)","","- C56 H71 B Br Fe N3 P2 -","- C56 H71 B Br Fe N3 P2 -","- C112 H142 B2 Br2 Fe2 N6 P4 -","2","1","","Nguyen, Duc Hanh; Merel, Delphine; Merle, Nicolas; Trivelli, Xavier; Capet, Frédéric; Gauvin, Régis M","Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10067","10081","10.1039/d1dt01722e","","","0.71073","MoKα","","0.0666","0.0486","","","0.095","0.104","","","","","","1.041","","","","has coordinates,has disorder","268699","2021-09-06","10:51:38",""
"7707793","18.8423","0.0012","19.7735","0.0013","21.5231","0.0013","80.98","0.002","69.874","0.002","70.541","0.002","7091.3","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C114 H147 Ag11 F6 O7 P6 S11 -","- C114 H147 Ag11 F6 O7 P6 S11 -","- C228 H294 Ag22 F12 O14 P12 S22 -","2","1","","Shen, Yang-Lin; Zhao, Pei; Jin, Jun-Ling; Han, Jun; Liu, Chen; Liu, Zheng; Ehara, Masahiro; Xie, Yun-Peng; Lu, Xing","A comparative study of [Ag<sub>11</sub>(<sup><i>i</i></sup>PrS)<sub>9</sub>(dppb)<sub>3</sub>]<sup>2+</sup> and [Ag<sub>15</sub>S(<sup><i>s</i></sup>BuS)<sub>12</sub>(dppb)<sub>3</sub>]<sup>+</sup>: templating effect on structure and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10561","10566","10.1039/d1dt01111a","","x-ray","0.71073","MoKα","","0.0563","0.0422","","","0.1252","0.136","","","","","","1.008","","","","has coordinates","268778","2021-09-06","11:17:44",""
"7707794","20.6961","0.0019","20.6961","0.0019","23","0.002","90","","90","","120","","8531.7","1.3","173","2","173","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C133 H192 Ag15 F3 O4 P6 S14 -","- C133 H192 Ag15 F3.0006 O4.0008 P6 S14.0002 -","- C266 H384 Ag30 F6.0012 O8.0016 P12 S28.0004 -","2","0.166667","","Shen, Yang-Lin; Zhao, Pei; Jin, Jun-Ling; Han, Jun; Liu, Chen; Liu, Zheng; Ehara, Masahiro; Xie, Yun-Peng; Lu, Xing","A comparative study of [Ag<sub>11</sub>(<sup><i>i</i></sup>PrS)<sub>9</sub>(dppb)<sub>3</sub>]<sup>2+</sup> and [Ag<sub>15</sub>S(<sup><i>s</i></sup>BuS)<sub>12</sub>(dppb)<sub>3</sub>]<sup>+</sup>: templating effect on structure and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10561","10566","10.1039/d1dt01111a","","x-ray","0.71073","MoKα","","0.1845","0.1021","","","0.2427","0.2882","","","","","","0.984","","","","has coordinates,has disorder","268778","2021-09-06","11:17:48",""
"7707795","14.002","0.004","11.085","0.003","15.701","0.004","90","","94.935","0.005","90","","2428","1.1","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 B2 Cu F8 N5 O0 -","- C21 H25 B2 Cu F8 N5 -","- C84 H100 B8 Cu4 F32 N20 -","4","0.5","","Xu, Ziyi; Zheng, Zilin; Chen, Qi; Wang, Jiayi; Yu, Kaishan; Xia, Xin; Shen, Junyu; Zhang, Qijian","Electrocatalytic water oxidation by a water-soluble copper complex with a pentadentate amine-pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10888","10895","10.1039/d1dt01821c","","","0.71073","MoKα","","0.0501","0.0438","","","0.1306","0.1422","","","","","","1.146","","","","has coordinates","268788","2021-09-06","11:20:26",""
"7707796","15.7439","0.0009","12.4867","0.0005","18.9773","0.0012","90","","106.591","0.006","90","","3575.4","0.4","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl4 Co5 N10 O22 V2 -","- C62 H68 Cl4 Co5 N10 O22 V2 -","- C124 H136 Cl8 Co10 N20 O44 V4 -","2","0.5","","Fraser, Hector W. L.; Payne, Emily H.; Sarkar, Arup; Wilson, Lucinda R. B.; Mitcov, Dmitri; Nichol, Gary S.; Rajaraman, Gopalan; Piligkos, Stergios; Brechin, Euan K.","[(V<sup>IV</sup>O)<sub>2</sub>MII5] (M = Ni, Co) Anderson wheels.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12495","12501","10.1039/d1dt01710a","","x-ray","0.71073","MoKα","","0.0903","0.061","","","0.1367","0.1475","","","","","","1.047","","","","has coordinates","269718","2021-10-06","15:39:05",""
"7707797","15.78","0.0003","12.4392","0.0002","19.0165","0.0004","90","","107.745","0.002","90","","3555.16","0.12","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl4 N10 Ni5 O22 V2 -","- C62 H68 Cl4 N10 Ni5 O22 V2 -","- C124 H136 Cl8 N20 Ni10 O44 V4 -","2","0.5","","Fraser, Hector W. L.; Payne, Emily H.; Sarkar, Arup; Wilson, Lucinda R. B.; Mitcov, Dmitri; Nichol, Gary S.; Rajaraman, Gopalan; Piligkos, Stergios; Brechin, Euan K.","[(V<sup>IV</sup>O)<sub>2</sub>MII5] (M = Ni, Co) Anderson wheels.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12495","12501","10.1039/d1dt01710a","","x-ray","0.71073","MoKα","","0.0461","0.0341","","","0.0719","0.077","","","","","","1.042","","","","has coordinates,has disorder","269718","2021-10-06","15:39:06",""
"7707798","13.28238","0.00016","5.42142","0.00007","18.05076","0.00026","90","","105.44","0.0007","90","","1252.91","0.03","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Barium Praseodymium Germanate","Dibarium dipraseodymium(III) tetragermanate","","- Ba2 Ge4 O13 Pr2 -","- Ba2 Ge4 O13 Pr2 -","- Ba8 Ge16 O52 Pr8 -","4","0.5","","Lipina, Olga A.; Surat, Ludmila L.; Chufarov, Alexander Yu; Tyutyunnik, Alexander P.; Enyashin, Andrey N.; Baklanova, Yana V.; Chvanova, Anastasia V.; Mironov, Leonid Yu; Belova, Ksenia G.; Zubkov, Vladimir G.","Structural and spectroscopic characterization of a new series of Ba<sub>2</sub>RE<sub>2</sub>Ge<sub>4</sub>O<sub>13</sub> (RE = Pr, Nd, Gd, and Dy) and Ba<sub>2</sub>Gd<sub>2-x</sub>Eu<sub>x</sub>Ge<sub>4</sub>O<sub>13</sub> tetragermanates.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10935","10946","10.1039/d1dt01780b","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02024","","1.29","","","","","","","has coordinates","268798","2021-09-06","11:23:15",""
"7707799","10.528","0.001","22.6959","0.0019","35.72","0.003","90","","92.678","0.007","90","","8525.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 B2 Fe N10 -","- C40 H60 B2 Fe N10 -","- C320 H480 B16 Fe8 N80 -","8","2","","Zhao, Qi; Xue, Jin-Peng; Liu, Zhi-Kun; Yao, Zi-Shuo; Tao, Jun","Spin-crossover iron(ii) long-chain complex with slow spin equilibrium at low temperatures.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11106","11112","10.1039/d1dt01378e","","","0.71073","MoKα","","0.1417","0.0776","","","0.1668","0.1955","","","","","","1.031","","","","has coordinates,has disorder","268739","2021-09-06","11:04:55",""
"7707800","14.8537","0.0007","22.6867","0.0011","20.3744","0.0012","90","","96.555","0.006","90","","6820.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C106 H98 N18 O32 Zn4 -","- C100 H72 N16 O24 Zn4 -","- C200 H144 N32 O48 Zn8 -","2","0.5","","Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang","Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9942","9948","10.1039/d1dt01139a","","","0.71073","MoKα","","0.1264","0.0593","","","0.1446","0.1803","","","","","","0.938","","","","has coordinates","268720","2021-09-06","10:57:16",""
"7707801","22.1234","0.0004","36.2197","0.001","28.4674","0.0006","90","","96.86","0.002","90","","22647.7","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C284 H282 In11 N49 O113 -","- C256 H166 In11 N40 O84 -","- C512 H332 In22 N80 O168 -","2","1","","Pei, Wen-Yuan; Lu, Bing-Bing; Yang, Jin; Wang, Tianqi; Ma, Jian-Fang","Two new calix[4]resorcinarene-based coordination cages adjusted by metal ions for the Knoevenagel condensation reaction.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9942","9948","10.1039/d1dt01139a","","","0.71073","MoKα","","0.1574","0.0624","","","0.1064","0.1394","","","","","","0.887","","","","has coordinates","268720","2021-09-06","10:57:16",""
"7707802","9.8497","0.0014","14.052","0.002","19.649","0.003","90","","90.004","0.004","90","","2719.6","0.7","120","2","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cl2 Fe N6 O9 -","- C22 H36 Cl2 Fe N6 O9 -","- C88 H144 Cl8 Fe4 N24 O36 -","4","1","","Drahoš, Bohuslav; Šalitroš, Ivan; Císařová, Ivana; Herchel, Radovan","A multifunctional magnetic material based on a solid solution of Fe(ii)/Co(ii) complexes with a macrocyclic cyclam-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11147","11157","10.1039/d1dt01534f","","","0.71073","MoKα","","0.0783","0.0696","","","0.1497","0.1547","","","","","","1.228","","","","has coordinates,has disorder","268743","2021-09-06","11:05:55",""
"7707803","9.8295","0.0008","14.0388","0.0011","19.7163","0.0016","90","","90.258","0.003","90","","2720.7","0.4","120","2","120.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cl2 Co N6 O9 -","- C22 H36 Cl2 Co N6 O9 -","- C88 H144 Cl8 Co4 N24 O36 -","4","1","","Drahoš, Bohuslav; Šalitroš, Ivan; Císařová, Ivana; Herchel, Radovan","A multifunctional magnetic material based on a solid solution of Fe(ii)/Co(ii) complexes with a macrocyclic cyclam-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11147","11157","10.1039/d1dt01534f","","","0.71073","MoKα","","0.0528","0.05","","","0.1153","0.117","","","","","","1.173","","","","has coordinates,has disorder","268743","2021-09-06","11:05:55",""
"7707804","9.2833","0.0006","14.1761","0.001","10.5176","0.0007","90","","110.258","0.002","90","","1298.51","0.15","120","2","120.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 Co N6 O8 -","- C22 H34 Cl2 Co N6 O8 -","- C44 H68 Cl4 Co2 N12 O16 -","2","0.5","","Drahoš, Bohuslav; Šalitroš, Ivan; Císařová, Ivana; Herchel, Radovan","A multifunctional magnetic material based on a solid solution of Fe(ii)/Co(ii) complexes with a macrocyclic cyclam-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11147","11157","10.1039/d1dt01534f","","","0.71073","MoKα","","0.0247","0.0234","","","0.0608","0.0615","","","","","","1.037","","","","has coordinates","268743","2021-09-06","11:05:55",""
"7707805","9.9415","0.0006","14.1336","0.0008","19.9165","0.0012","90","","90.212","0.002","90","","2798.4","0.3","250","2","250","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cl2 Fe N6 O9 -","- C22 H36 Cl2 Fe N6 O9 -","- C88 H144 Cl8 Fe4 N24 O36 -","4","1","","Drahoš, Bohuslav; Šalitroš, Ivan; Císařová, Ivana; Herchel, Radovan","A multifunctional magnetic material based on a solid solution of Fe(ii)/Co(ii) complexes with a macrocyclic cyclam-based ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11147","11157","10.1039/d1dt01534f","","","0.71073","MoKα","","0.051","0.0449","","","0.1101","0.1145","","","","","","1.121","","","","has coordinates,has disorder","268743","2021-09-06","11:05:55",""
"7707806","10.316","0.002","13.339","0.003","13.358","0.003","108.37","0.03","95.2","0.03","97.87","0.03","1710.4","0.7","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H49 Br0.5 Cl0.5 N8 Na O5 -","- C26 H49 Br0.5 Cl0.5 N8 Na O5 -","- C52 H98 Br Cl N16 Na2 O10 -","2","1","","Mouchel Dit Leguerrier, D.; Barré, R; Ruet, Q.; Imbert, D.; Philouze, C.; Fries, P. H.; Martel-Frachet, V; Molloy, J. K.; Thomas, F.","Lanthanide complexes of DOTA-nitroxide conjugates for redox imaging: spectroelectrochemistry, CEST, relaxivity, and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10826","10837","10.1039/d1dt01628h","","x-ray","0.71073","MoKα","","0.0962","0.0741","","","0.1995","0.2201","","","","","","1.079","","","","has coordinates,has disorder","268796","2021-09-06","11:22:51",""
"7707807","14.285","0.004","5.4715","0.0017","19.474","0.006","90","","97.607","0.004","90","","1508.7","0.8","273","2","273.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- Ba F8 H8 N2 O8 P4 -","- Ba F8 H8 N2 O8 P4 -","- Ba4 F32 H32 N8 O32 P16 -","4","1","","Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie","From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH<sub>4</sub>)<sub><i>n</i>-2</sub>AE(PO<sub>2</sub>F<sub>2</sub>)<sub><i>n</i></sub> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10206","10213","10.1039/d1dt00698c","","","0.71073","MoKα","","0.0408","0.0281","","","0.069","0.0744","","","","","","1.032","","","","has coordinates,has disorder","268706","2021-09-06","10:53:08",""
"7707808","7.3703","0.0017","11.054","0.003","13.645","0.003","88.861","0.006","87.435","0.006","89.323","0.005","1110.3","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- F6 H4 N O6 P3 Sr -","- F6 H4 N O6 P3 Sr -","- F24 H16 N4 O24 P12 Sr4 -","4","2","","Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie","From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH<sub>4</sub>)<sub><i>n</i>-2</sub>AE(PO<sub>2</sub>F<sub>2</sub>)<sub><i>n</i></sub> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10206","10213","10.1039/d1dt00698c","","","0.71073","MoKα","","0.0415","0.0291","","","0.0629","0.0676","","","","","","1.064","","","","has coordinates,has disorder","268706","2021-09-06","10:53:09",""
"7707809","10.4935","0.0008","10.4935","0.0008","26.03","0.004","90","","90","","90","","2866.3","0.5","296","2","296.15","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ba F4 O4 P2 -","- Ba F4 O4 P2 -","- Ba16 F64 O64 P32 -","16","1","","Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie","From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH<sub>4</sub>)<sub><i>n</i>-2</sub>AE(PO<sub>2</sub>F<sub>2</sub>)<sub><i>n</i></sub> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10206","10213","10.1039/d1dt00698c","","","0.71073","MoKα","","0.0174","0.0167","","","0.0371","0.0374","","","","","","1.051","","","","has coordinates,has disorder","268706","2021-09-06","10:53:09",""
"7707810","5.411","0.004","15.201","0.012","12.681","0.01","90","","90","","90","","1043","1.4","273","2","273.15","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- F6 H4 Mg N O6 P3 -","- F6 H4 Mg N O6 P3 -","- F24 H16 Mg4 N4 O24 P12 -","4","0.25","","Zhang, Wenyao; Jin, Wenqi; Cheng, Meng; Zhang, Ruonan; Yang, Zhihua; Pan, Shilie","From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH<sub>4</sub>)<sub><i>n</i>-2</sub>AE(PO<sub>2</sub>F<sub>2</sub>)<sub><i>n</i></sub> (AE = Mg, Sr and Ba; <i>n</i> = 2, 3 and 4).","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10206","10213","10.1039/d1dt00698c","","","0.71073","MoKα","","0.0628","0.0549","","","0.145","0.1513","","","","","","1.122","","","","has coordinates","268706","2021-09-06","10:53:09",""
"7707811","24.059","0.0019","9.0771","0.0006","25.3307","0.0018","90","","112.705","0.004","90","","5103.2","0.7","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Cu N4 O8 S12 -","- C44 H38 Cu N4 O8 S12 -","- C176 H152 Cu4 N16 O32 S48 -","4","0.5","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0986","0.0559","","","0.124","0.1466","","","","","","1.024","","","","has coordinates,has disorder","268734","2021-09-06","11:03:26",""
"7707812","9.1976","0.0003","16.9404","0.0006","17.7175","0.0006","90","","95.852","0.001","90","","2746.2","0.16","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H46 Cu N4 O10 S12 -","- C46 H46 Cu N4 O10 S12 -","- C92 H92 Cu2 N8 O20 S24 -","2","1","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0476","0.0358","","","0.0805","0.0868","","","","","","1.044","","","","has coordinates,has disorder","268734","2021-09-06","11:03:28",""
"7707813","8.4066","0.0007","26.39","0.002","24.841","0.002","90","","94.326","0.003","90","","5495.3","0.8","192","2","192","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H44 Cu N4 O12 S12 -","- C45 H44 Cu N4 O12 S12 -","- C180 H176 Cu4 N16 O48 S48 -","4","1","","Zhou, Zi-Yao; Ge, Chen-Yi; Jiang, Miao; Hou, Jin-Le; Zhu, Qin-Yu; Dai, Jie","Copper-bipyridine grid frameworks incorporating redox-active tetrathiafulvalene: structures and supercapacitance","Dalton Transactions","2021","50","32","11091","11098","10.1039/D1DT01805A","","","0.71073","MoKα","","0.0929","0.0506","","","0.0976","0.1109","","","","","","1.027","","","","has coordinates","268734","2021-09-06","11:03:28",""
"7707814","8.956","0.0009","16.763","0.0017","18.1781","0.0019","90","","75.196","0.003","90","","2638.5","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N4 O2 Ti -","- C26 H40 N4 O2 Ti -","- C104 H160 N16 O8 Ti4 -","4","1","","Upitak, Kanokon; Wattanathana, Worawat; Nanok, Tanin; Chuawong, Pitak; Hormnirun, Pimpa","Titanium complexes of pyrrolylaldiminate ligands and their exploitation for the ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10964","10981","10.1039/d1dt01470f","","","1.54178","CuKα","","0.1465","0.1454","","","0.3409","0.341","","","","","","1.219","","","","has coordinates,has disorder","268797","2021-09-06","11:23:07",""
"7707815","9.7019","0.0012","19.475","0.002","35.316","0.005","90","","90.429","0.006","90","","6672.6","1.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Co(H2bip)2Br2]","","","- C100 H180 Br8 Co4 N48 O4 -","- C100 H180 Br8 Co4 N48 O4 -","- C200 H360 Br16 Co8 N96 O8 -","2","0.5","","Bhowmick, Indrani; Newell, Brian S.; Shores, Matthew P.","A systematic study of the influence of ligand field on the slow magnetic dynamics of Co(ii)-diimine compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10737","10748","10.1039/d0dt01597k","","x-ray","0.71073","MoKα","","0.0763","0.0676","","","0.1622","0.1667","","","","","","1.113","","","","has coordinates,has disorder","268790","2021-09-06","11:20:53",""
"7707816","13.1785","0.0004","9.3729","0.0003","16.2115","0.0005","90","","98.098","0.002","90","","1982.49","0.11","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","msn378","","","- C16 H28 Cl2 Co N8 -","- C16 H28 Cl2 Co N8 -","- C64 H112 Cl8 Co4 N32 -","4","1","","Bhowmick, Indrani; Newell, Brian S.; Shores, Matthew P.","A systematic study of the influence of ligand field on the slow magnetic dynamics of Co(ii)-diimine compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10737","10748","10.1039/d0dt01597k","","","0.71073","MoKα","","0.0265","0.0229","","","0.0564","0.058","","","","","","1.062","","","","has coordinates","268790","2021-09-06","11:20:56",""
"7707817","10.0908","0.0006","36.845","0.002","18.3609","0.001","90","","96.755","0.003","90","","6779.1","0.7","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C116 H162 Br8 Co4 N42 O -","- C116 H162 Br8 Co4 N42 O -","- C232 H324 Br16 Co8 N84 O2 -","2","0.5","","Bhowmick, Indrani; Newell, Brian S.; Shores, Matthew P.","A systematic study of the influence of ligand field on the slow magnetic dynamics of Co(ii)-diimine compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10737","10748","10.1039/d0dt01597k","","","0.71073","MoKα","","0.1133","0.0577","","","0.1208","0.1404","","","","","","1.017","","","","has coordinates,has disorder","268790","2021-09-06","11:21:05",""
"7707818","17.4708","0.0016","7.9414","0.0007","9.9424","0.0009","90","","121.725","0.004","90","","1173.32","0.19","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","msn364","","","- C8 H14 Cl2 Co N4 -","- C8 H14 Cl2 Co N4 -","- C32 H56 Cl8 Co4 N16 -","4","0.5","","Bhowmick, Indrani; Newell, Brian S.; Shores, Matthew P.","A systematic study of the influence of ligand field on the slow magnetic dynamics of Co(ii)-diimine compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10737","10748","10.1039/d0dt01597k","","","0.71073","MoKα","","0.0256","0.0251","","","0.0718","0.0721","","","","","","1.135","","","","has coordinates,has disorder","268790","2021-09-06","11:21:05",""
"7707820","7.1781","0.0018","23.125","0.006","9.358","0.002","90","","105.105","0.004","90","","1499.7","0.6","297.15","","297.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cl N4 S Sn -","- C13 H11 Cl N4 S Sn -","- C52 H44 Cl4 N16 S4 Sn4 -","4","1","","Wu, Junmiao; Yang, Tongfu; Wang, Xiaojun; Li, Wenjuan; Pang, Min; Sun, Hongbin; Liang, Hong; Yang, Feng","Development of a multi-target anticancer Sn(ii) pyridine-2-carboxaldehyde thiosemicarbazone complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10909","10921","10.1039/d1dt01272j","","","0.71073","MoKα","","0.0658","0.0482","","","0.107","0.1126","","","","","","0.988","","","","has coordinates","268800","2021-09-06","11:25:22",""
"7707821","10.4999","0.001","8.4878","0.0007","15.0352","0.0013","90","","103.817","0.009","90","","1301.2","0.2","297.15","","297.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl N4 S Sn -","- C9 H11 Cl N4 S Sn -","- C36 H44 Cl4 N16 S4 Sn4 -","4","1","","Wu, Junmiao; Yang, Tongfu; Wang, Xiaojun; Li, Wenjuan; Pang, Min; Sun, Hongbin; Liang, Hong; Yang, Feng","Development of a multi-target anticancer Sn(ii) pyridine-2-carboxaldehyde thiosemicarbazone complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10909","10921","10.1039/d1dt01272j","","x-ray","0.71073","MoKα","","0.0423","0.0355","","","0.093","0.0992","","","","","","1.03","","","","has coordinates","268800","2021-09-06","11:25:22",""
"7707822","6.1495","0.0003","14.0182","0.0005","12.7608","0.0006","90","","97.81","0.004","90","","1089.84","0.08","297.15","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cl N4 S Sn -","- C7 H7 Cl N4 S Sn -","- C28 H28 Cl4 N16 S4 Sn4 -","4","1","","Wu, Junmiao; Yang, Tongfu; Wang, Xiaojun; Li, Wenjuan; Pang, Min; Sun, Hongbin; Liang, Hong; Yang, Feng","Development of a multi-target anticancer Sn(ii) pyridine-2-carboxaldehyde thiosemicarbazone complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10909","10921","10.1039/d1dt01272j","","x-ray","0.71073","MoKα","","0.0492","0.0337","","","0.0736","0.0819","","","","","","1.01","","","","has coordinates","268800","2021-09-06","11:25:22",""
"7707823","7.0007","0.0009","9.3695","0.0013","24.604","0.003","90","","93.53","0.002","90","","1610.8","0.4","298","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N4 S Sn -","- C14 H13 Cl N4 S Sn -","- C56 H52 Cl4 N16 S4 Sn4 -","4","1","","Wu, Junmiao; Yang, Tongfu; Wang, Xiaojun; Li, Wenjuan; Pang, Min; Sun, Hongbin; Liang, Hong; Yang, Feng","Development of a multi-target anticancer Sn(ii) pyridine-2-carboxaldehyde thiosemicarbazone complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10909","10921","10.1039/d1dt01272j","","","0.71073","MoKα","","0.0359","0.0297","","","0.0669","0.0694","","","","","","1.147","","","","has coordinates","268800","2021-09-06","11:25:22",""
"7707824","13.4062","0.0003","13.7584","0.0005","15.3342","0.0005","90","","90","","90","","2828.36","0.15","297.15","","297.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H13 Cl N4 S Sn -","- C11 H13 Cl N4 S Sn -","- C88 H104 Cl8 N32 S8 Sn8 -","8","1","","Wu, Junmiao; Yang, Tongfu; Wang, Xiaojun; Li, Wenjuan; Pang, Min; Sun, Hongbin; Liang, Hong; Yang, Feng","Development of a multi-target anticancer Sn(ii) pyridine-2-carboxaldehyde thiosemicarbazone complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10909","10921","10.1039/d1dt01272j","","x-ray","0.71073","MoKα","","0.0417","0.0283","","","0.0566","0.0615","","","","","","1.027","","","","has coordinates","268800","2021-09-06","11:25:22",""
"7707825","19.1032","0.0014","19.103","","11.8529","0.0009","90","","90","","120","","3746","0.4","120","2","120","","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C40 H48 Cd N10 O4 -","- C40 H48 Cd N10 O4 -","- C120 H144 Cd3 N30 O12 -","3","0.5","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","0.71073","MoKα","","0.0554","0.0531","","","0.1766","0.1795","","","","","","1.195","","","","has coordinates","268702","2021-09-06","10:52:26",""
"7707826","6.1731","0.0002","9.1085","0.0003","37.2539","0.0012","90","","90","","90","","2094.7","0.12","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C104 H84 N20 O8 -","4","1","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","1.54178","CuKα","","0.0591","0.0533","","","0.1262","0.1293","","","","","","1.098","","","","has coordinates","268702","2021-09-06","10:52:27",""
"7707827","9.2785","0.0004","10.8229","0.0004","11.2472","0.0004","100.313","0.002","109.063","0.002","110.537","0.002","943.06","0.07","100","","100","","","","","","","","","4","P 1","P 1","1","","1,3-bis(4,5-dihydro-4-(S)-iso-propyloxazol-2-ylimino)isoindoline","","- C20 H25 N5 O2 -","- C20 H25 N5 O2 -","- C40 H50 N10 O4 -","2","2","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","1.54184","CuKα","","0.0323","0.0299","","","0.073","0.075","","","","","","1.054","","","","has coordinates","268702","2021-09-06","10:52:27",""
"7707828","6.6646","0.0005","12.2835","0.001","13.5762","0.001","90","","95.441","0.002","90","","1106.4","0.15","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H27 N5 O4 Pd -","- C22 H27 N5 O4 Pd -","- C44 H54 N10 O8 Pd2 -","2","1","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","0.71073","MoKα","","0.038","0.0289","","","0.0584","0.0608","","","","","","1.018","","","","has coordinates","268702","2021-09-06","10:52:27",""
"7707829","19.293","0.0015","19.293","","11.797","0.0009","90","","90","","120","","3802.8","0.4","150","2","150","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C52 H40 Cd N10 O4 -","- C52 H40 Cd N10 O4 -","- C156 H120 Cd3 N30 O12 -","3","0.5","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","0.71073","MoKα","","0.0517","0.0434","","","0.1165","0.1206","","","","","","1.056","","","","has coordinates,has disorder","268702","2021-09-06","10:52:27",""
"7707830","8.43","0.0002","10.5284","0.0002","11.998","0.0004","86.002","0.002","70.799","0.003","68.795","0.002","936.08","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N8 O5 Pt -","- C14 H16 N8 O5 Pt -","- C28 H32 N16 O10 Pt2 -","2","1","","Shaili, Evyenia; Romero, Mar\ía J; Salassa, Luca; Woods, Julie A.; Butler, Jennifer S.; Romero-Canelón, Isolda; Clarkson, Guy; Habtemariam, Abraha; Sadler, Peter J.; Farrer, Nicola J.","Platinum(IV)-azido monocarboxylato complexes are photocytotoxic under irradiation with visible light.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10593","10607","10.1039/d1dt01730f","","","0.71073","MoKα","","0.0189","0.0175","","","0.0408","0.0415","","","","","","1.07","","","","has coordinates","268785","2021-09-06","11:19:30",""
"7707831","7.54127","0.00018","35.8789","0.0006","8.17745","0.00019","90","","109.184","0.003","90","","2089.72","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N9 O3 Pt -","- C18 H19 N9 O3 Pt -","- C72 H76 N36 O12 Pt4 -","4","1","","Shaili, Evyenia; Romero, Mar\ía J; Salassa, Luca; Woods, Julie A.; Butler, Jennifer S.; Romero-Canelón, Isolda; Clarkson, Guy; Habtemariam, Abraha; Sadler, Peter J.; Farrer, Nicola J.","Platinum(IV)-azido monocarboxylato complexes are photocytotoxic under irradiation with visible light.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10593","10607","10.1039/d1dt01730f","","x-ray","0.71073","MoKα","","0.0264","0.0206","","","0.0376","0.039","","","","","","1.112","","","","has coordinates","268785","2021-09-06","11:19:31",""
"7707832","27.4103","0.0018","12.5601","0.0007","13.6542","0.0008","90","","115.228","0.009","90","","4252.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N8 O5 Pt -","- C17 H22 N8 O5 Pt -","- C136 H176 N64 O40 Pt8 -","8","1","","Shaili, Evyenia; Romero, Mar\ía J; Salassa, Luca; Woods, Julie A.; Butler, Jennifer S.; Romero-Canelón, Isolda; Clarkson, Guy; Habtemariam, Abraha; Sadler, Peter J.; Farrer, Nicola J.","Platinum(IV)-azido monocarboxylato complexes are photocytotoxic under irradiation with visible light.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10593","10607","10.1039/d1dt01730f","","","0.71073","MoKα","","0.0541","0.0328","","","0.048","0.0553","","","","","","0.997","","","","has coordinates","268785","2021-09-06","11:19:31",""
"7707833","13.989","0.003","14.256","0.003","23.355","0.004","90.689","0.006","96.845","0.006","118.958","0.005","4033.2","1.4","170","","170","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H60 F24 N12 O4 P4 Ru2 -","- C60 H60 F24 N12 O4 P4 Ru2 -","- C120 H120 F48 N24 O8 P8 Ru4 -","2","1","","Laurans, Maxime; Wells, Jordann A. L.; Ott, Sascha","Immobilising molecular Ru complexes on a protective ultrathin oxide layer of p-Si electrodes towards photoelectrochemical CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10482","10492","10.1039/d1dt01331a","","","0.71073","MoKα","","0.0769","0.0609","","","0.145","0.1539","","","","","","1.115","","","","has coordinates,has disorder","268776","2021-09-06","11:17:04",""
"7707834","8.77","0.006","25.712","0.016","11.115","0.008","90","","96.765","0.014","90","","2489","3","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Cl2 N5 O3 Ru -","- C26 H23 Cl2 N5 O3 Ru -","- C104 H92 Cl8 N20 O12 Ru4 -","4","1","","Laurans, Maxime; Wells, Jordann A. L.; Ott, Sascha","Immobilising molecular Ru complexes on a protective ultrathin oxide layer of p-Si electrodes towards photoelectrochemical CO<sub>2</sub> reduction.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10482","10492","10.1039/d1dt01331a","","","0.71073","MoKα","","0.1664","0.0996","","","0.2394","0.2676","","","","","","1.096","","","","has coordinates,has disorder","268776","2021-09-06","11:17:04",""
"7707835","10.1543","0.0011","18.346","0.002","11.0901","0.0012","90","","91.392","0.002","90","","2065.4","0.4","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H21 Cl3 Co Ge O3 P -","- C12 H21 Cl3 Co Ge O3 P -","- C48 H84 Cl12 Co4 Ge4 O12 P4 -","4","1","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.064","0.0382","","","0.088","0.1","","","","","","1.021","","","","has coordinates","268792","2021-09-06","11:22:12",""
"7707836","28.9936","0.0006","28.9936","0.0006","28.9936","0.0006","90","","90","","90","","24372.9","0.9","150","","150.01","","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H84 Co4 Ge O12 P4 -","- C48 H84 Co4 Ge O12 P4 -","- C768 H1344 Co64 Ge16 O192 P64 -","16","1.33333","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0831","0.0529","","","0.1214","0.137","","","","","","1.024","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7707837","7.1988","0.0002","9.3202","0.0002","11.3401","0.0002","80.878","0.002","76.06","0.002","84.991","0.002","728.15","0.03","100.01","0.12","100.01","0.12","","","","","","","","5","P -1","-P 1","2","","","","- C8 Cl2 Co2 Ge O8 -","- C8 Cl2 Co2 Ge O8 -","- C16 Cl4 Co4 Ge2 O16 -","2","1","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0383","0.0248","","","0.0539","0.0571","","","","","","1.042","","","","has coordinates","268792","2021-09-06","11:22:12",""
"7707838","19.3128","0.0019","19.3128","0.0019","22.471","0.003","90","","90","","120","","7258.4","1.4","150","","150","","","","","","","","","6","P -3","-P 3","147","","","","- C112 H197 Co8 Ge7 O25 P7 -","- C108 H189 Co8 Ge7 O24 P7 -","- C216 H378 Co16 Ge14 O48 P14 -","2","0.333333","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.1215","0.0559","","","0.1331","0.1647","","","","","","1.034","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7707839","43.184","0.003","12.2679","0.0008","21.4813","0.0013","90","","90","","90","","11380.3","1.3","150","","150","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C45 H81 Cl Co3 Ge O9 P3 -","- C45 H81 Cl Co3 Ge O9 P3 -","- C360 H648 Cl8 Co24 Ge8 O72 P24 -","8","2","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0937","0.0539","","","0.1084","0.127","","","","","","1.005","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7707840","13.6499","0.0002","14.5313","0.0002","13.9137","0.0002","90","","106.851","0.002","90","","2641.29","0.07","100","0.14","100","0.14","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H73 Cl Co3 Ge O10 P3 -","- C40 H73 Cl Co3 Ge O10 P3 -","- C80 H146 Cl2 Co6 Ge2 O20 P6 -","2","1","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0449","0.0343","","","0.0614","0.0645","","","","","","1.03","","","","has coordinates","268792","2021-09-06","11:22:12",""
"7707841","10.8319","0.0015","18.047","0.002","17.997","0.002","90","","101.607","0.002","90","","3446.2","0.7","150","","150.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Cl2 Co2 Ge O6 P2 -","- C24 H42 Cl2 Co2 Ge O6 P2 -","- C96 H168 Cl8 Co8 Ge4 O24 P8 -","4","1","","Preißing, Lars; Behling, Elias; Schnepf, Andreas","GeCl<sub>x</sub>[Co(CO)<sub>3</sub>PR<sub>3</sub>]<sub>4-x</sub> (x = 0-3; R = <sup>n</sup>Pr, <sup>n</sup>Bu): from cobalt substituted germanes to novel binary cluster compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10789","10797","10.1039/d1dt02016a","","x-ray","0.71073","MoKα","","0.0545","0.0344","","","0.0755","0.0851","","","","","","1.021","","","","has coordinates,has disorder","268792","2021-09-06","11:22:12",""
"7707842","9.1618","0.0003","13.5269","0.0005","21.541","0.0007","90","","98.109","0.003","90","","2642.9","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Mn1.5 N O7 -","- C14 H8 Mn1.5 N O7 -","- C112 H64 Mn12 N8 O56 -","8","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Single-crystal-to-single-crystal transformations among three Mn-MOFs containing different water molecules induced by reaction time: crystal structures and proton conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11077","11090","10.1039/d1dt01163d","","","1.54184","CuKα","","0.0517","0.0418","","","0.1075","0.1132","","","","","","1.012","","","","has coordinates","268740","2021-09-06","11:05:04",""
"7707843","7.4443","0.0005","9.2427","0.0006","12.6409","0.0007","99.62","0.005","91.66","0.005","106.133","0.006","821.15","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mn1.5 N O11 -","- C14 H16 Mn1.5 N O11 -","- C28 H32 Mn3 N2 O22 -","2","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Single-crystal-to-single-crystal transformations among three Mn-MOFs containing different water molecules induced by reaction time: crystal structures and proton conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11077","11090","10.1039/d1dt01163d","","","1.54184","CuKα","","0.0577","0.0501","","","0.1399","0.1467","","","","","","1.057","","","","has coordinates","268740","2021-09-06","11:05:04",""
"7707844","6.8023","0.0007","9.1613","0.0008","14.8193","0.0015","103.79","0.008","100.798","0.008","101.414","0.008","852.06","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Mn1.5 N O11.5 -","- C14 H17 Mn1.5 N O11.5 -","- C28 H34 Mn3 N2 O23 -","2","1","","Zhou, Chuan-Cong; Liu, Hou-Ting; Ding, Li; Lu, Jing; Wang, Su-Na; Li, Yun-Wu","Single-crystal-to-single-crystal transformations among three Mn-MOFs containing different water molecules induced by reaction time: crystal structures and proton conductivities.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11077","11090","10.1039/d1dt01163d","","","1.54184","CuKα","","0.0885","0.0711","","","0.1905","0.2101","","","","","","1.041","","","","has coordinates","268740","2021-09-06","11:05:04",""
"7707845","7.2752","0.0003","39.3001","0.0003","7.2759","0.0003","90","","90","","90","","2080.3","0.12","153","2","153","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Li, Xiaoshuang; Liang, Fei; Liu, Tianpeng; Li, Haifeng","Na<sub>2</sub>GaS<sub>2</sub>Cl: a new sodium-rich chalcohalide with two-dimensional [GaS<sub>2</sub>]<sub>∞</sub> layers and wide interlayer space.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11167","11172","10.1039/d1dt01099a","","","0.71073","MoKα","","0.0715","0.053","","","0.1271","0.1404","","","","","","1.214","","","","has coordinates","268733","2021-09-06","11:03:09",""
"7707846","23.3784","0.0004","19.8247","0.0003","22.6637","0.0004","90","","90.025","0.002","90","","10503.9","0.3","100.15","","100.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","[Co(5tpybNOH)2](BPh4)2","","- C97 H104 B2 Co N10 O5 -","- C97 H104 B2 Co N10 O5 -","- C388 H416 B8 Co4 N40 O20 -","4","1","","Kanetomo, Takuya; Inokuma, Kiwamu; Naoi, Yuya; Enomoto, Masaya","Spin transition triggered by desorption of crystal solvents for a two-dimensional cobalt(ii) complex with hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11243","11248","10.1039/d1dt01934a","","x-ray","1.54184","CuKα","","0.0637","0.0551","","","0.1446","0.1706","","","","","","1.06","","","","has coordinates,has disorder","268738","2021-09-06","11:04:43",""
"7707847","14.0231","0.0008","22.4946","0.0016","30.2437","0.0018","90","","90","","90","","9540.2","1","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","AT486 / Compound 2","[2-(Aminomethyl)phenyl-κ2-C,N]iodotriphenylphosphinepalladium","","- C51 H48 Cl2 I2 N2 P2 Pd2 -","- C51 H48 Cl2 I2 N2 P2 Pd2 -","- C408 H384 Cl16 I16 N16 P16 Pd16 -","8","1","","Cormier, Morgan; Tabey, Alexis; Christine, Thifanie; Audrain, Hélène; Fouquet, Eric; Hermange, Philippe","Synthesis and [*C]CO-labelling of (C,N) <i>gem</i>-dimethylbenzylamine-palladium complexes for potential applications in positron emission tomography.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10608","10614","10.1039/d1dt01633d","","","0.71073","MoKα","","0.0691","0.0469","","","0.134","0.1438","","","","","","1.003","","","","has coordinates","268783","2021-09-06","11:19:08",""
"7707848","17.895","0.003","14.464","0.002","19.87","0.003","90","","96.448","0.004","90","","5110.5","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55 B F15 N3 Ti -","- C54 H55 B F15 N3 Ti -","- C216 H220 B4 F60 N12 Ti4 -","4","1","","Paparo, Albert; Nguyen, Anh L. P.; Silvia, Jared S.; Spaniol, Thomas P.; Maron, Laurent; Cummins, Christopher C.; Okuda, Jun","Dihydrogen cleavage by a dimetalloxycarbene-borane frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10692","10695","10.1039/d1dt02273c","","","0.71073","MoKα","","0.0808","0.0531","","","0.1181","0.1341","","","","","","1.036","","","","has coordinates","268793","2021-09-06","11:22:25",""
"7707849","13.57","0.002","16.462","0.003","16.688","0.003","64.91","0.003","89.059","0.003","67.79","0.003","3079.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C122 H140 B2 F30 N6 O7 Ti2 -","- C122 H140 B2 F30 N6 O7 Ti2 -","- C122 H140 B2 F30 N6 O7 Ti2 -","1","0.5","","Paparo, Albert; Nguyen, Anh L. P.; Silvia, Jared S.; Spaniol, Thomas P.; Maron, Laurent; Cummins, Christopher C.; Okuda, Jun","Dihydrogen cleavage by a dimetalloxycarbene-borane frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10692","10695","10.1039/d1dt02273c","","","0.71073","MoKα","","0.0947","0.0703","","","0.1847","0.202","","","","","","1.039","","","","has coordinates,has disorder","268793","2021-09-06","11:22:26",""
"7707850","13.4677","0.0007","8.8859","0.0004","24.3901","0.0013","90","","92.6","0.002","90","","2915.8","0.3","135.62","","135.62","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 Cl3.85 I0.15 N2 O Zn -","- C24 H42 Cl3.8514 I0.1486 N2 O Zn -","- C96 H168 Cl15.4056 I0.5944 N8 O4 Zn4 -","4","1","","Virachotikul, Arnut; Laiwattanapaisarn, Nattiya; Chainok, Kittipong; Phomphrai, Khamphee","Bifunctional zinc and magnesium Schiff-base complexes containing quaternary ammonium side-arms for epoxide/CO<sub>2</sub> coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12399","12403","10.1039/d1dt02121d","","","0.71073","MoKα","","0.039","0.0307","","","0.0661","0.0693","","","","","","1.05","","","","has coordinates,has disorder","269714","2021-10-06","15:37:13",""
"7707851","8.8629","0.0006","13.2939","0.0009","17.7715","0.0012","90","","91.719","0.002","90","","2092.9","0.2","100","","100","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Co F6 N2 O4 -","- C16 H24 Co F6 N2 O4 -","- C64 H96 Co4 F24 N8 O16 -","4","0.5","","Klotzsche, Max; Barreca, Davide; Bigiani, Lorenzo; Seraglia, Roberta; Gasparotto, Alberto; Vanin, Laura; Jandl, Christian; Pöthig, Alexander; Roverso, Marco; Bogialli, Sara; Tabacchi, Gloria; Fois, Ettore; Callone, Emanuela; Dirè, Sandra; Maccato, Chiara","Facile preparation of a cobalt diamine diketonate adduct as a potential vapor phase precursor for Co<sub>3</sub>O<sub>4</sub>films.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10374","10385","10.1039/d1dt01650d","","x-ray","0.71073","MoKα","","0.0331","0.0288","","","0.0709","0.0742","","","","","","1.06","","","","has coordinates","268781","2021-09-06","11:18:40",""
"7707852","14.5495","0.0007","22.989","0.0012","25.2616","0.001","113.252","0.004","94.091","0.004","107.833","0.005","7209.5","0.7","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H78 Cu2 F60 Gd2 N16 O28 -","- C94 H78 Cu2 F60 Gd2 N16 O28 -","- C188 H156 Cu4 F120 Gd4 N32 O56 -","2","1","","Huang, Xiaohui; Wang, Kang; Han, Jing; Xie, Junfang; Li, Licun; Sutter, Jean-Pascal","A metal-radical hetero-tri-spin SCM with methyl-pyrazole-nitronyl nitroxide bridges.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11992","11998","10.1039/d1dt02006d","","","0.71073","MoKα","","0.1491","0.1009","","","0.2608","0.3165","","","","","","0.982","","","","has coordinates","268801","2021-09-06","11:26:05",""
"7707853","14.544","0.003","23.084","0.005","25.331","0.005","113.05","0.03","94.12","0.03","108.15","0.03","7251","4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H78 Cu2 Dy2 F60 N16 O28 -","- C94 H78 Cu2 Dy2 F60 N16 O28 -","- C188 H156 Cu4 Dy4 F120 N32 O56 -","2","1","","Huang, Xiaohui; Wang, Kang; Han, Jing; Xie, Junfang; Li, Licun; Sutter, Jean-Pascal","A metal-radical hetero-tri-spin SCM with methyl-pyrazole-nitronyl nitroxide bridges.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11992","11998","10.1039/d1dt02006d","","","0.71073","MoKα","","0.1017","0.073","","","0.1935","0.2265","","","","","","1.163","","","","has coordinates","268801","2021-09-06","11:26:06",""
"7707854","14.5042","0.0005","22.91","0.0008","25.2112","0.0009","112.959","0.003","94.439","0.003","107.849","0.003","7154.8","0.5","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C94 H78 Cu2 F60 N16 O28 Tb2 -","- C94 H78 Cu2 F60 N16 O28 Tb2 -","- C188 H156 Cu4 F120 N32 O56 Tb4 -","2","1","","Huang, Xiaohui; Wang, Kang; Han, Jing; Xie, Junfang; Li, Licun; Sutter, Jean-Pascal","A metal-radical hetero-tri-spin SCM with methyl-pyrazole-nitronyl nitroxide bridges.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11992","11998","10.1039/d1dt02006d","","","0.71073","MoKα","","0.1109","0.0652","","","0.1643","0.1896","","","","","","1.012","","","","has coordinates","268801","2021-09-06","11:26:06",""
"7707855","11.3068","0.0008","13.913","0.001","14.5022","0.001","75.286","0.004","84.95","0.004","83.773","0.004","2189.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Copper(I) (2-(2-diphenylphosphanylphenoxy)phenyl)-diphenylphosphane, 2,2'-(propane-2,2-diyl)dipyridinehexafluorophosphate","","- C49 H42 Cu F6 N2 O P3 -","- C49 H42 Cu F6 N2 O P3 -","- C98 H84 Cu2 F12 N4 O2 P6 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.057","0.0374","","","0.082","0.0899","","","","","","1.053","","","","has coordinates","268745","2021-09-06","11:06:50",""
"7707856","12.1153","0.0007","12.4627","0.0007","16.4049","0.0009","75.887","0.002","89.566","0.002","68.532","0.002","2226.4","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl] -diphenylphosphane, 2,2'-di(pyridin-2-yl)sulfane] hexafluorophosphate","","- C47 H38 Cl2 Cu F6 N2 O P3 S -","- C47 H38 Cl2 Cu F6 N2 O P3 S -","- C94 H76 Cl4 Cu2 F12 N4 O2 P6 S2 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.0816","0.058","","","0.1473","0.1643","","","","","","1.038","","","","has coordinates","268745","2021-09-06","11:06:51",""
"7707857","12.1423","0.0011","12.7994","0.0011","21.433","0.002","73.615","0.004","87.899","0.004","63.33","0.003","2839.9","0.5","150","2","150","","","","","","","","","7","P -1","-P 1","2","","Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane, methyl(phenyl)di(pyridin-2-yl)phosphonium] hexafluorophosphate","","- C53 H44 Cu F12 N2 O P5 -","- C53 H44 Cu F12 N2 O P5 -","- C106 H88 Cu2 F24 N4 O2 P10 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.1261","0.0958","","","0.1905","0.2041","","","","","","1.096","","","","has coordinates","268745","2021-09-06","11:06:51",""
"7707858","12.5814","0.0004","13.2569","0.0004","16.1401","0.0006","66.581","0.001","82.406","0.001","87.921","0.001","2448.2","0.14","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl] -diphenylphosphane, 2,2'-(phenylphosphanediyl)dipyridine] hexafluorophosphate","","- C53 H43 Cl2 Cu F6 N2 O P4 -","- C53 H43 Cl2 Cu F6 N2 O P4 -","- C106 H86 Cl4 Cu2 F12 N4 O2 P8 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.1348","0.0727","","","0.1913","0.2391","","","","","","1.038","","","","has coordinates","268745","2021-09-06","11:06:51",""
"7707859","12.5672","0.0003","13.8653","0.0003","15.6258","0.0003","84.435","0.001","86.169","0.001","68.557","0.001","2520.91","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl] -diphenylphosphane, 2,2'-dipyridylamine] hexafluorophosphate","","- C46 H37 Cu F6 N3 O P3 -","- C46 H37 Cu F6 N3 O P3 -","- C92 H74 Cu2 F12 N6 O2 P6 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.0561","0.0488","","","0.1525","0.1583","","","","","","1.12","","","","has coordinates","268745","2021-09-06","11:06:51",""
"7707860","12.063","0.0006","13.2432","0.0007","15.9305","0.0008","96.067","0.002","111.521","0.002","93.1","0.002","2342.4","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl] -diphenylphosphane, 2,2'-dipyridylsulfone] hexafluorophosphate","","- C46 H36 Cu F6 N2 O3 P3 S -","- C46 H36 Cu F6 N2 O3 P3 S -","- C92 H72 Cu2 F12 N4 O6 P6 S2 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.0503","0.0378","","","0.0917","0.0963","","","","","","1.084","","","","has coordinates,has disorder","268745","2021-09-06","11:06:51",""
"7707861","12.4849","0.0004","13.594","0.0005","14.4864","0.0005","98.081","0.001","103.809","0.001","102.778","0.001","2279.39","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Copper(I) [2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane, 2,2'-Oxydipyridine] hexafluorophosphate","","- C46 H36 Cu F6 N2 O2 P3 -","- C46 H36 Cu F6 N2 O2 P3 -","- C92 H72 Cu2 F12 N4 O4 P6 -","2","1","","Mahoro, Gilbert Umuhire; Fresta, Elisa; Elie, Margaux; di Nasso, Davide; Zhang, Qi; Lohier, Jean-François; Renaud, Jean-Luc; Linares, Mathieu; Wannemacher, Reinhold; Cabanillas-Gonzalez, Juan; Costa, Rubén D; Gaillard, Sylvain","Towards rainbow photo/electro-luminescence in copper(i) complexes with the versatile bridged bis-pyridyl ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11049","11060","10.1039/d1dt01689j","","","0.71073","MoKα","","0.0691","0.0448","","","0.1165","0.1256","","","","","","1.086","","","","has coordinates","268745","2021-09-06","11:06:51",""
"7707862","9.07","0.007","14.082","0.01","15.886","0.013","106.5","0.02","99.44","0.03","101.78","0.02","1850","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H116 Co2 N4 O32 Tb2 -","- C54 H116 Co2 N4 O32 Tb2 -","- C54 H116 Co2 N4 O32 Tb2 -","1","0.5","","Basak, Dipmalya; Smythe, Lucy; Herchel, Radovan; Murrie, Mark; Nemec, Ivan; Ray, Debashis","From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes across the lanthanide series: effect of varying sequence of ligand addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11861","11877","10.1039/d1dt02038b","","","0.71073","MoKα","","0.0916","0.0758","","","0.1684","0.1807","","","","","","1.177","","","","has coordinates,has disorder","268816","2021-09-06","11:31:44",""
"7707863","24.612","0.009","17.542","0.006","18.662","0.007","90","","100.551","0.013","90","","7921","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H110 Co3 Dy2 N4 O24 -","- C64 H110 Co3 Dy2 N4 O24 -","- C256 H440 Co12 Dy8 N16 O96 -","4","0.5","","Basak, Dipmalya; Smythe, Lucy; Herchel, Radovan; Murrie, Mark; Nemec, Ivan; Ray, Debashis","From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes across the lanthanide series: effect of varying sequence of ligand addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11861","11877","10.1039/d1dt02038b","","","0.71073","MoKα","","0.091","0.0515","","","0.1125","0.1446","","","","","","1.113","","","","has coordinates,has disorder","268816","2021-09-06","11:31:45",""
"7707864","24.397","0.005","17.486","0.003","18.601","0.003","90","","100.139","0.007","90","","7811","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H110 Co3 Ho2 N4 O24 -","- C64 H110 Co3 Ho2 N4 O24 -","- C256 H440 Co12 Ho8 N16 O96 -","4","0.5","","Basak, Dipmalya; Smythe, Lucy; Herchel, Radovan; Murrie, Mark; Nemec, Ivan; Ray, Debashis","From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes across the lanthanide series: effect of varying sequence of ligand addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11861","11877","10.1039/d1dt02038b","","","0.71073","MoKα","","0.1182","0.0558","","","0.1079","0.1406","","","","","","1.087","","","","has coordinates,has disorder","268816","2021-09-06","11:31:45",""
"7707865","9.1793","0.0004","13.7893","0.0005","15.821","0.0006","105.424","0.001","99.807","0.001","103.089","0.001","1822.71","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H116 Co2 Dy2 N4 O28 -","- C58 H116 Co2 Dy2 N4 O28 -","- C58 H116 Co2 Dy2 N4 O28 -","1","0.5","","Basak, Dipmalya; Smythe, Lucy; Herchel, Radovan; Murrie, Mark; Nemec, Ivan; Ray, Debashis","From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes across the lanthanide series: effect of varying sequence of ligand addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11861","11877","10.1039/d1dt02038b","","","0.71073","MoKα","","0.0369","0.0324","","","0.0808","0.0832","","","","","","1.06","","","","has coordinates","268816","2021-09-06","11:31:45",""
"7707866","9.208","0.005","13.808","0.01","15.878","0.009","105.21","0.03","99.6","0.02","102.95","0.04","1843","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H116 Co2 Gd2 N4 O32 -","- C54 H112 Co2 Gd2 N4 O32 -","- C54 H112 Co2 Gd2 N4 O32 -","1","0.5","","Basak, Dipmalya; Smythe, Lucy; Herchel, Radovan; Murrie, Mark; Nemec, Ivan; Ray, Debashis","From tetranuclear to pentanuclear [Co-Ln] (Ln = Gd, Tb, Dy, Ho) complexes across the lanthanide series: effect of varying sequence of ligand addition.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11861","11877","10.1039/d1dt02038b","","","0.71073","MoKα","","0.0446","0.0376","","","0.0891","0.0922","","","","","","1.023","","","","has coordinates,has disorder","268816","2021-09-06","11:31:45",""
"7707867","14.12","0.0019","4.9149","0.0006","13.6307","0.0019","90","","112.968","0.004","90","","871","0.2","299","2","299","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F Ga I3 Na O9 -","- F Ga I3 Na O9 -","- F4 Ga4 I12 Na4 O36 -","4","1","","Wang, Dandan; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","NaGaI<sub>3</sub>O<sub>9</sub>F: a new alkali metal gallium iodate combined with IO<sub>3</sub><sup>-</sup> and IO<sub>3</sub>F<sup>2-</sup> units.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11562","11567","10.1039/d1dt02122b","","","0.71073","MoKα","","0.0731","0.0412","","","0.0618","0.0727","","","","","","1.044","","","","has coordinates,has disorder","268748","2021-09-06","11:07:32",""
"7707868","17.252","0.0006","17.252","0.0006","8.2626","0.0003","90","","90","","120","","2129.74","0.13","88","2","88","2","","","","","","","","6","P 3","P 3","143","","","","- C44 H49 Fe N5 O3.5 P3 -","- C43.9998 H45 Fe N5 O3.5 P3 -","- C87.9996 H90 Fe2 N10 O7 P6 -","2","0.666667","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.024","0.0237","","","0.0626","0.063","","","","","","1.05","","","","has coordinates","268741","2021-09-06","11:05:25",""
"7707869","14.8465","0.0013","14.8465","0.0013","85.868","0.008","90","","90","","120","","16391","3","133","2","133","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C96 H108 Fe2 K2 N8 O9 P6 -","- C96 H108 Fe2 K2 N8 O9 P6 -","- C576 H648 Fe12 K12 N48 O54 P36 -","6","0.166667","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.085","0.0504","","","0.1086","0.1256","","","","","","1.029","","","","has coordinates,has disorder","268741","2021-09-06","11:05:25",""
"7707870","14.409","0.002","16.274","0.002","18.382","0.003","93.3944","0.0019","90.1241","0.0018","95.9266","0.0017","4279.7","1.1","88","2","88","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H84 B F4 Fe2 K N8 O6 P6 -","- C84 H84 B F4 Fe2 K N8 O6 P6 -","- C168 H168 B2 F8 Fe4 K2 N16 O12 P12 -","2","1","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.1374","0.1076","","","0.2882","0.3166","","","","","","1.018","","","","has coordinates,has disorder","268741","2021-09-06","11:05:25",""
"7707871","14.6635","0.0007","14.861","0.0007","18.8343","0.0009","101.951","0.0007","98.9294","0.0007","118.787","0.0007","3360","0.3","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H85 Cl4 Fe K N7 O9 P3 -","- C62 H85 Cl4 Fe K N7 O9 P3 -","- C124 H170 Cl8 Fe2 K2 N14 O18 P6 -","2","1","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.0421","0.0365","","","0.0906","0.0943","","","","","","1.023","","","","has coordinates,has disorder","268741","2021-09-06","11:05:25",""
"7707872","14.8454","0.001","17.4775","0.0011","19.4608","0.0013","90","","90","","90","","5049.3","0.6","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H49 Fe K N5 O3 P3 -","- C49 H49 Fe K N5 O3 P3 -","- C196 H196 Fe4 K4 N20 O12 P12 -","4","1","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.0546","0.0426","","","0.0945","0.0994","","","","","","1.036","","","","has coordinates,has disorder","268741","2021-09-06","11:05:25",""
"7707873","8.9884","0.0007","20.3731","0.0016","14.8713","0.0011","90","","93.436","0.002","90","","2718.4","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 N10 O15 Pb -","- C14 H36 N10 O15 Pb -","- C56 H144 N40 O60 Pb4 -","4","1","","Ingham, Aidan; Kostelnik, Thomas I.; McNeil, Brooke L.; Patrick, Brian O.; Choudhary, Neha; Jaraquemada-Peláez, María de Guadalupe; Orvig, Chris","Getting a lead on Pb<sup>2+</sup>-amide chelators for <sup>203/212</sup>Pb radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11579","11595","10.1039/d1dt01653a","","x-ray","0.71073","MoKα","","0.0291","0.0235","","","0.049","0.0517","","","","","","1.052","","","","has coordinates","268749","2021-09-06","11:07:58",""
"7707874","14.0872","0.0007","22.5964","0.001","12.3531","0.0009","90","","123.133","0.002","90","","3292.9","0.3","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H38.58 N10 O14.67 Pb -","- C24 H38.168 N10 O14.668 Pb -","- C96 H152.672 N40 O58.672 Pb4 -","4","0.5","","Ingham, Aidan; Kostelnik, Thomas I.; McNeil, Brooke L.; Patrick, Brian O.; Choudhary, Neha; Jaraquemada-Peláez, María de Guadalupe; Orvig, Chris","Getting a lead on Pb<sup>2+</sup>-amide chelators for <sup>203/212</sup>Pb radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11579","11595","10.1039/d1dt01653a","","x-ray","0.71073","MoKα","","0.0388","0.0319","","","0.071","0.0742","","","","","","1.023","","","","has coordinates,has disorder","268749","2021-09-06","11:07:59",""
"7707875","11.2179","0.0002","27.5158","0.0005","7.786","0.0002","90","","92.686","0.001","90","","2400.66","0.09","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 N8 O13 Pb -","- C14 H30 N8 O13 Pb -","- C56 H120 N32 O52 Pb4 -","4","1","","Ingham, Aidan; Kostelnik, Thomas I.; McNeil, Brooke L.; Patrick, Brian O.; Choudhary, Neha; Jaraquemada-Peláez, María de Guadalupe; Orvig, Chris","Getting a lead on Pb<sup>2+</sup>-amide chelators for <sup>203/212</sup>Pb radiopharmaceuticals.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11579","11595","10.1039/d1dt01653a","","x-ray","0.71073","MoKα","","0.06","0.04","","","0.0735","0.0785","","","","","","1.075","","","","has coordinates","268749","2021-09-06","11:07:59",""
"7707876","11.754","0.0006","15.381","0.0008","16.6332","0.0009","65.538","0.001","77.719","0.001","85.896","0.001","2674.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","compound 11","","- C38 H86 Si8 Sn2 -","- C38 H86 Si8 Sn2 -","- C76 H172 Si16 Sn4 -","2","1","","Yan, Liping; Yan, Chenting; Xu, Jian; Yang, Lele; Bian, Gaofeng; Wang, Liliang; Kira, Mitsuo; Li, Zhifang","Diverse reactions of a fluorostannylenoid towards ethynes.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10806","10810","10.1039/d1dt01914g","","","0.71073","MoKα","","0.0421","0.0284","","","0.0931","0.1307","","","","","","1.127","","","","has coordinates","268795","2021-09-06","11:22:43",""
"7707877","14.8453","0.0006","15.1725","0.0007","14.274","0.0006","90","","105.931","0.003","90","","3091.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Ag N11 O9 -","- C26 H30 Ag N11 O9 -","- C104 H120 Ag4 N44 O36 -","4","1","","Karataş, Mert Olgun; Özdemir, Namık; Sarıman, Melda; Günal, Selami; Ulukaya, Engin; Özdemir, İsmail","Water-soluble silver(i) complexes with N-donor benzimidazole ligands containing an imidazolium core: stability and preliminary biological studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11596","11603","10.1039/d1dt02008k","","","0.71073","MoKα","","0.1406","0.0683","","","0.1196","0.1411","","","","","","0.994","","","","has coordinates","268755","2021-09-06","11:09:27",""
"7707878","9.0812","0.0005","9.9887","0.0005","16.3825","0.0009","103.519","0.001","103.22","0.001","99.49","0.001","1368.65","0.13","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H38 N4 O3 -","- C31 H38 N4 O3 -","- C62 H76 N8 O6 -","2","1","","Hiti, E. A.; Wilkinson, G. R.; Ariyarathna, I. R.; Tutson, C. D.; Hardy, E. E.; Maynard, B. A.; Miliordos, E.; Gorden, A. E. V.","Comparing coordination uranyl(vi) complexes with 2-(1H-imidazo[4,5-b]phenazin-2-yl)phenol and derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11113","11122","10.1039/d1dt02359d","","","0.71073","MoKα","","0.0686","0.0489","","","0.1266","0.1411","","","","","","1.054","","","","has coordinates,has disorder","268737","2021-09-06","11:04:31",""
"7707879","8.585","0.005","20.419","0.011","16.091","0.009","90","","101.633","0.008","90","","2763","3","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N4 O7 S2 U -","- C25 H26 N4 O7 S2 U -","- C100 H104 N16 O28 S8 U4 -","4","1","","Hiti, E. A.; Wilkinson, G. R.; Ariyarathna, I. R.; Tutson, C. D.; Hardy, E. E.; Maynard, B. A.; Miliordos, E.; Gorden, A. E. V.","Comparing coordination uranyl(vi) complexes with 2-(1H-imidazo[4,5-b]phenazin-2-yl)phenol and derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11113","11122","10.1039/d1dt02359d","","","0.71073","MoKα","","0.0602","0.045","","","0.1157","0.1281","","","","","","1.069","","","","has coordinates","268737","2021-09-06","11:04:32",""
"7707880","6.6597","0.0006","30.064","0.003","7.2617","0.0006","90","","108.293","0.002","90","","1380.4","0.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 N4 O -","- C19 H12 N4 O -","- C76 H48 N16 O4 -","4","1","","Hiti, E. A.; Wilkinson, G. R.; Ariyarathna, I. R.; Tutson, C. D.; Hardy, E. E.; Maynard, B. A.; Miliordos, E.; Gorden, A. E. V.","Comparing coordination uranyl(vi) complexes with 2-(1H-imidazo[4,5-b]phenazin-2-yl)phenol and derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11113","11122","10.1039/d1dt02359d","","","0.71073","MoKα","","0.0784","0.0582","","","0.1239","0.1332","","","","","","1.0665","","","","has coordinates","268737","2021-09-06","11:04:32",""
"7707881","15.701","0.002","21.472","0.003","27.809","0.004","90","","90","","90","","9375","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H99 Eu2 N25 O28 Zn3 -","- C72 H99 Eu2 N25 O28 Zn3 -","- C288 H396 Eu8 N100 O112 Zn12 -","4","1","","Gao, Wei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Multifunctional Zn-Ln (Ln = Eu and Tb) heterometallic metal-organic frameworks with highly efficient I<sub>2</sub> capture, dye adsorption, luminescence sensing and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11619","11630","10.1039/d1dt01968f","","","0.71073","MoKα","","0.0582","0.0487","","","0.126","0.1324","","","","","","1.047","","","","has coordinates","268750","2021-09-06","11:08:16",""
"7707882","15.6906","0.0014","21.477","0.0018","27.783","0.002","90","","90","","90","","9362.5","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H99 N25 O28 Tb2 Zn3 -","- C72 H99 N25 O28 Tb2 Zn3 -","- C288 H396 N100 O112 Tb8 Zn12 -","4","1","","Gao, Wei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Multifunctional Zn-Ln (Ln = Eu and Tb) heterometallic metal-organic frameworks with highly efficient I<sub>2</sub> capture, dye adsorption, luminescence sensing and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11619","11630","10.1039/d1dt01968f","","","0.71073","MoKα","","0.0649","0.0502","","","0.1291","0.1414","","","","","","0.952","","","","has coordinates","268750","2021-09-06","11:08:16",""
"7707883","34.0378","0.0009","6.9406","0.0002","17.9645","0.0005","90","","106.222","0.003","90","","4075","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 Mo2 N2 O2 S6 -","- C10 H20 Mo2 N2 O2 S6 -","- C80 H160 Mo16 N16 O16 S48 -","8","1","","Yan, Zhishuo; Zhao, Jixing; Gao, Qingsheng; Lei, Hao","A 2H-MoS<sub>2</sub>/carbon cloth composite for high-performance all-solid-state supercapacitors derived from a molybdenum dithiocarbamate complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11954","11964","10.1039/d1dt01643a","","x-ray","1.54178","CuKα","","0.0695","0.0667","","","0.1579","0.1597","","","","","","1.102","","","","has coordinates,has disorder","268810","2021-09-06","11:29:30",""
"7707884","10.5325","0.0003","12.6083","0.0003","30.1952","0.0007","90","","92.176","0.002","90","","4006.94","0.18","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 Cl O P Si4 U -","- C25 H51 Cl O P Si4 U -","- C100 H204 Cl4 O4 P4 Si16 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0409","0.0359","","","0.091","0.0935","","","","","","1.102","","","","has coordinates,has disorder","269716","2021-10-06","15:38:06",""
"7707885","12.2187","0.0001","17.1216","0.0002","22.5679","0.0002","81.938","0.001","76.421","0.001","71.801","0.001","4348.28","0.08","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C71 H121 O2 P2 S2 Si8 U2 -","- C71 H121 O2 P2 S2 Si8 U2 -","- C142 H242 O4 P4 S4 Si16 U4 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0453","0.0395","","","0.0981","0.1013","","","","","","1.033","","","","has coordinates,has disorder","269716","2021-10-06","15:38:15",""
"7707886","13.8316","0.0003","20.3339","0.0004","15.0866","0.0003","90","","93.183","0.002","90","","4236.57","0.15","100.01","0.1","100.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 N O P Si4 U -","- C34 H62 N O P Si4 U -","- C136 H248 N4 O4 P4 Si16 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0526","0.0361","","","0.0754","0.0833","","","","","","1.023","","","","has coordinates","269716","2021-10-06","15:38:19",""
"7707887","15.2105","0.0004","18.7372","0.0004","22.0699","0.0002","90.115","0.001","106.883","0.002","103.328","0.002","5840.7","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H84 N2 O P2 Si4 U -","- C54 H84 N2 O P2 Si4 U -","- C216 H336 N8 O4 P8 Si16 U4 -","4","2","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0702","0.062","","","0.1647","0.1701","","","","","","1.039","","","","has coordinates","269716","2021-10-06","15:38:29",""
"7707888","22.098","0.0004","11.5929","0.0002","21.5294","0.0004","90","","100.488","0.0019","90","","5423.25","0.17","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H85 N O P2 Si4 U -","- C47 H85 N O P2 Si4 U -","- C188 H340 N4 O4 P8 Si16 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.06","0.0555","","","0.133","0.1352","","","","","","1.08","","","","has coordinates","269716","2021-10-06","15:38:29",""
"7707889","11.516","0.0002","14.2653","0.0002","17.1503","0.0001","101.502","0.001","101.447","0.001","98.356","0.001","2655.32","0.06","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C47 H79 N O P2 Si4 U -","- C47 H79 N O P2 Si4 U -","- C94 H158 N2 O2 P4 Si8 U2 -","2","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0276","0.0268","","","0.0689","0.0693","","","","","","1.104","","","","has coordinates,has disorder","269716","2021-10-06","15:38:29",""
"7707890","11.6693","0.0001","11.4991","0.0002","39.0487","0.0004","90","","92.693","0.001","90","","5234.02","0.11","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H79 N O P2 Si4 U -","- C47 H79 N O P2 Si4 U -","- C188 H316 N4 O4 P8 Si16 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0452","0.0394","","","0.091","0.0932","","","","","","1.056","","","","has coordinates","269716","2021-10-06","15:38:29",""
"7707891","12.133","0.0001","25.2117","0.0002","22.3666","0.0002","90","","101.984","0.001","90","","6692.69","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H99 O2 P2 Si6 U -","- C57 H99 O2 P2 Si6 U -","- C228 H396 O8 P8 Si24 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Synthesis and reactivity of the uranium phosphinidene metallocene [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(P-2,4,6-<sup>i</sup>Pr<sub>3</sub>C<sub>6</sub>H<sub>2</sub>)(OPMe<sub>3</sub>): influence of the coordinated Lewis base.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12502","12516","10.1039/d1dt02149d","","x-ray","1.54184","CuKα","","0.0381","0.0335","","","0.0965","0.0995","","","","","","1.12","","","","has coordinates","269716","2021-10-06","15:38:29",""
"7707892","11.366","0.012","11.446","0.013","13.959","0.015","78.54","0.03","76.46","0.04","89.78","0.03","1729","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Gd2 N2 Ni2 O22 -","- C66 H76 Gd2 N2 Ni2 O22 -","- C66 H76 Gd2 N2 Ni2 O22 -","1","0.5","","Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis","Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane assemblies.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12517","12527","10.1039/d1dt00510c","","","0.71073","MoKα","","0.1188","0.0597","","","0.1568","0.1904","","","","","","0.978","","","","has coordinates","269720","2021-10-06","15:39:33",""
"7707893","11.108","0.018","11.279","0.018","13.69","0.02","101.289","0.019","103.51","0.02","90.45","0.02","1633","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Dy2 N2 Ni2 O22 -","- C66 H76 Dy2 N2 Ni2 O22 -","- C66 H76 Dy2 N2 Ni2 O22 -","1","0.5","","Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis","Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane assemblies.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12517","12527","10.1039/d1dt00510c","","","0.71073","MoKα","","0.0453","0.0397","","","0.1007","0.104","","","","","","1.045","","","","has coordinates","269720","2021-10-06","15:39:36",""
"7707894","11.272","0.01","11.493","0.012","13.955","0.012","78.47","0.02","76.06","0.02","89.62","0.04","1718","3","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 N2 Ni2 O22 Tb2 -","- C66 H76 N2 Ni2 O22 Tb2 -","- C66 H76 N2 Ni2 O22 Tb2 -","1","0.5","","Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis","Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane assemblies.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12517","12527","10.1039/d1dt00510c","","","0.71073","MoKα","","0.0455","0.0273","","","0.0587","0.0651","","","","","","1.067","","","","has coordinates","269720","2021-10-06","15:39:36",""
"7707895","11.072","0.009","11.326","0.01","13.677","0.011","101.34","0.03","103.396","0.012","90.601","0.011","1633","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H76 Ho2 N2 Ni2 O22 -","- C66 H76 Ho2 N2 Ni2 O22 -","- C66 H76 Ho2 N2 Ni2 O22 -","1","0.5","","Bhanja, Avik; Herchel, Radovan; Moreno-Pineda, Eufemio; Khara, Anjan; Wernsdorfer, Wolfgang; Ray, Debashis","Synthesis, characterization, magnetism and theoretical analysis of hetero-metallic [Ni<sub>2</sub>Ln<sub>2</sub>] partial di-cubane assemblies.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12517","12527","10.1039/d1dt00510c","","","0.71073","MoKα","","0.026","0.0236","","","0.066","0.0724","","","","","","1.155","","","","has coordinates","269720","2021-10-06","15:39:36",""
"7707896","10.987","0.0013","8.9441","0.0007","12.946","0.0013","90","","93.863","0.009","90","","1269.3","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H66 N2 Si2 -","- C60 H66 N2 Si2 -","- C60 H66 N2 Si2 -","1","0.5","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0365","0.0319","","","0.0811","0.0826","","","","","","1.023","","","","has coordinates","268799","2021-09-06","11:25:01",""
"7707897","9.5587","0.0005","12.8751","0.0007","16.1547","0.0008","67.981","0.002","86.382","0.002","70.002","0.002","1727.15","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 Cr N2 Si2 -","- C34 H56 Cr N2 Si2 -","- C68 H112 Cr2 N4 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0485","0.0364","","","0.0893","0.0957","","","","","","1.027","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707898","13.0369","0.0005","22.1041","0.0011","18.2404","0.0007","90","","110.376","0.003","90","","4927.4","0.4","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H80 Co K N2 O6 Si2 -","- C46 H80 Co K N2 O6 Si2 -","- C184 H320 Co4 K4 N8 O24 Si8 -","4","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0527","0.0316","","","0.0703","0.0764","","","","","","1.025","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707899","9.75","0.003","15.312","0.005","45.002","0.011","90","","90","","90","","6718","3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Li N O2 Si -","- C38 H48 Li N O2 Si -","- C304 H384 Li8 N8 O16 Si8 -","8","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0459","0.0405","","","0.095","0.0975","","","","","","1.073","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707900","12.2746","0.0011","13.7722","0.001","17.6349","0.0011","72.165","0.002","88.812","0.002","86.503","0.002","2832.6","0.4","100","","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Fe N2 Si2 -","- C60 H64 Fe N2 Si2 -","- C120 H128 Fe2 N4 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.093","0.0584","","","0.1302","0.1391","","","","","","1.081","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707901","10.0915","0.0005","10.244","0.0005","17.2833","0.0009","87.9","0.002","86.203","0.002","76.965","0.002","1736.41","0.15","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C37 H54 Li N O3 Si -","- C37 H54 Li N O3 Si -","- C74 H108 Li2 N2 O6 Si2 -","2","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0423","0.0373","","","0.0925","0.0952","","","","","","1.047","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707902","11.4917","0.001","12.5476","0.0017","12.9022","0.0011","90","","92.171","0.007","90","","1859.1","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Li2 N2 Si2 -","- C40 H56 Li2 N2 Si2 -","- C80 H112 Li4 N4 Si4 -","2","0.5","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","K-L~2,3~","0.07","0.0377","","","0.0812","0.0886","","","","","","0.899","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707903","10.1708","0.0006","25.7371","0.0018","28.1136","0.0015","90","","90.265","0.005","90","","7359.1","0.8","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H113 Co K N3 O8 Si2 -","- C72 H113 Co K N3 O8 Si2 -","- C288 H452 Co4 K4 N12 O32 Si8 -","4","0.5","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0469","0.0341","","","0.0871","0.0913","","","","","","1.053","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707904","10.6101","0.0007","16.8895","0.001","38.289","0.003","90","","90","","90","","6861.4","0.8","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H48 Li N O2 Si -","- C38 H48 Li N O2 Si -","- C304 H384 Li8 N8 O16 Si8 -","8","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0958","0.0379","","","0.0819","0.0892","","","","","","0.797","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707905","10.688","0.002","15.427","0.003","17.61","0.004","85.095","0.006","75.862","0.006","77.123","0.006","2743.4","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H80 Co K N2 O6 Si2 -","- C52 H80 Co K N2 O6 Si2 -","- C104 H160 Co2 K2 N4 O12 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.1335","0.0683","","","0.1386","0.1551","","","","","","1.05","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707906","11.5053","0.0006","19.5096","0.0013","19.5355","0.0011","117.392","0.004","97.873","0.004","90.877","0.005","3841.3","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 Mn N2 Si2 -","- C40 H56 Mn N2 Si2 -","- C160 H224 Mn4 N8 Si8 -","4","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","K-L~2,3~","0.1521","0.0633","","","0.146","0.175","","","","","","0.91","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707907","11.4603","0.0005","19.4567","0.0009","19.5695","0.0009","117.258","0.001","90.819","0.002","97.965","0.002","3826.6","0.3","100","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H112 Fe2 N4 Si4 -","- C80 H112 Fe2 N4 Si4 -","- C160 H224 Fe4 N8 Si8 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0686","0.0408","","","0.0755","0.0838","","","","","","1.037","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707908","15.9153","0.0012","13.0196","0.0008","17.081","0.0016","90","","97.079","0.007","90","","3512.4","0.5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Mn N2 Si2 -","- C34 H56 Mn N2 Si2 -","- C136 H224 Mn4 N8 Si8 -","4","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0603","0.0357","","","0.083","0.0892","","","","","","0.941","","","","has coordinates","268799","2021-09-06","11:25:02",""
"7707909","15.7788","0.0007","13.0161","0.0006","17.0238","0.0008","90","","97.37","0.002","90","","3467.4","0.3","100","","99.99","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Fe N2 Si2 -","- C34 H56 Fe N2 Si2 -","- C136 H224 Fe4 N8 Si8 -","4","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0399","0.0305","","","0.0733","0.0776","","","","","","1.02","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707910","11.865","0.0011","12.973","0.0013","16.4026","0.0016","84.911","0.008","88.653","0.008","68.582","0.007","2341","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 Cr0.82 Li0.35 N2 Si2 -","- C50 H60 Cr0.8256 Li0.3488 N2 Si2 -","- C100 H120 Cr1.6512 Li0.6976 N4 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","K-L~2,3~","0.0506","0.0337","","","0.0822","0.0863","","","","","","1.068","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707911","31.9234","0.0017","12.8832","0.0006","33.079","0.0016","90","","101.405","0.002","90","","13335.9","1.1","100","","99.88","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H94 Cr K N2 O8 Si2 -","- C54 H94 Cr K N2 O8 Si2 -","- C432 H752 Cr8 K8 N16 O64 Si16 -","8","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.1809","0.1095","","","0.2809","0.3278","","","","","","1.03","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707912","13.0565","0.0005","15.5862","0.0007","19.4665","0.0008","102.682","0.002","100.886","0.002","94.621","0.002","3764.4","0.3","100","","100.03","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H121 Co K N3 O9 Si2 -","- C70 H121 Co K N3 O9 Si2 -","- C140 H242 Co2 K2 N6 O18 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.091","0.0582","","","0.1229","0.1374","","","","","","1.032","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707913","13.0249","0.0006","14.7896","0.0006","14.3462","0.0006","90","","101.315","0.002","90","","2709.8","0.2","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C52 H79 K Mn N2 O6 Si2 -","- C52 H79 K Mn N2 O6 Si2 -","- C104 H158 K2 Mn2 N4 O12 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","1.54186","CuKα","","0.0812","0.0484","","","0.1211","0.1371","","","","","","0.945","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707914","12.5267","0.0008","13.5299","0.0009","24.962","0.0015","79.978","0.002","88.219","0.002","73.252","0.002","3988.6","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C80 H104 Fe K N2 O8 Si2 -","- C80 H104 Fe K N2 O8 Si2 -","- C160 H208 Fe2 K2 N4 O16 Si4 -","2","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.1203","0.0713","","","0.1399","0.1515","","","","","","1.037","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707915","15.7778","0.0008","13.0041","0.0007","17.0121","0.0009","90","","97.284","0.002","90","","3462.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Co N2 Si2 -","- C34 H56 Co N2 Si2 -","- C136 H224 Co4 N8 Si8 -","4","1","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0413","0.0305","","","0.0744","0.0789","","","","","","1.05","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707916","18.141","0.002","19.993","0.0019","20.561","0.002","60.863","0.007","66.609","0.009","79.327","0.009","5978","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H90 Fe K N2 O7 Si2 -","- C56 H90 Fe K N2 O7 Si2 -","- C224 H360 Fe4 K4 N8 O28 Si8 -","4","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","K-L~2,3~","0.1104","0.0773","","","0.2276","0.242","","","","","","1.042","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707917","11.5124","0.0005","19.4083","0.0008","19.4427","0.0008","116.737","0.001","98.024","0.001","91.028","0.002","3825.7","0.3","100","","99.96","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H56 Co N2 Si2 -","- C40 H56 Co N2 Si2 -","- C160 H224 Co4 N8 Si8 -","4","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","","0.71073","MoKα","","0.0844","0.0456","","","0.0801","0.0924","","","","","","1.0531","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707918","30.2819","0.0003","14.2215","0.0002","16.6969","0.0002","90","","97.292","0.001","90","","7132.43","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 B2 Fe N10 O4 -","- C34 H44 B2 Fe N10 O4 -","- C272 H352 B16 Fe8 N80 O32 -","8","1","","Guo, Yunnan; Rotaru, Aurelian; Müller-Bunz, Helge; Morgan, Grace G.; Zhang, Shishen; Xue, Shufang; Garcia, Yann","Auxiliary alkyl chain modulated spin crossover behaviour of [Fe(H<sub>2</sub>Bpz<sub>2</sub>)<sub>2</sub>(C<sub><i>n</i></sub>-bipy)] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12835","12842","10.1039/d1dt01787j","","","1.54178","CuKα","","0.0679","0.0582","","","0.1611","0.1724","","","","","","1.087","","","","has coordinates","269696","2021-10-06","15:28:43",""
"7707919","29.8345","0.0004","14.6697","0.0002","17.0434","0.0002","90","","100.761","0.001","90","","7328.09","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 B2 Fe N10 O4 -","- C32 H40 B2 Fe N10 O4 -","- C256 H320 B16 Fe8 N80 O32 -","8","1","","Guo, Yunnan; Rotaru, Aurelian; Müller-Bunz, Helge; Morgan, Grace G.; Zhang, Shishen; Xue, Shufang; Garcia, Yann","Auxiliary alkyl chain modulated spin crossover behaviour of [Fe(H<sub>2</sub>Bpz<sub>2</sub>)<sub>2</sub>(C<sub><i>n</i></sub>-bipy)] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12835","12842","10.1039/d1dt01787j","","","1.54184","CuKα","","0.0501","0.0459","","","0.1402","0.1476","","","","","","1.059","","","","has coordinates","269696","2021-10-06","15:28:44",""
"7707920","30.877","0.0003","14.3754","0.0001","16.9723","0.0002","90","","100.726","0.0007","90","","7401.85","0.13","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 B2 Fe N10 O4 -","- C34 H44 B2 Fe N10 O4 -","- C272 H352 B16 Fe8 N80 O32 -","8","1","","Guo, Yunnan; Rotaru, Aurelian; Müller-Bunz, Helge; Morgan, Grace G.; Zhang, Shishen; Xue, Shufang; Garcia, Yann","Auxiliary alkyl chain modulated spin crossover behaviour of [Fe(H<sub>2</sub>Bpz<sub>2</sub>)<sub>2</sub>(C<sub><i>n</i></sub>-bipy)] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12835","12842","10.1039/d1dt01787j","","","1.54184","CuKα","","0.0388","0.0335","","","0.0851","0.0894","","","","","","1.036","","","","has coordinates","269696","2021-10-06","15:28:44",""
"7707921","29.3326","0.0003","14.4529","0.0002","16.441","0.0002","90","","98.9041","0.0008","90","","6886.02","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32.17 H40.34 B2 Fe N10 O4 -","- C32.172 H40.344 B2 Fe N10 O4 -","- C257.376 H322.752 B16 Fe8 N80 O32 -","8","1","","Guo, Yunnan; Rotaru, Aurelian; Müller-Bunz, Helge; Morgan, Grace G.; Zhang, Shishen; Xue, Shufang; Garcia, Yann","Auxiliary alkyl chain modulated spin crossover behaviour of [Fe(H<sub>2</sub>Bpz<sub>2</sub>)<sub>2</sub>(C<sub><i>n</i></sub>-bipy)] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12835","12842","10.1039/d1dt01787j","","","1.54184","CuKα","","0.0377","0.0362","","","0.0966","0.0981","","","","","","1.053","","","","has coordinates,has disorder","269696","2021-10-06","15:28:44",""
"7707922","6.7921","0.0007","8.5866","0.0008","12.858","0.0015","90","","90","","90","","749.89","0.14","295","2","295","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C3 H3 Br N3 O3 Rb -","- C3 H3 Br N3 O3 Rb -","- C12 H12 Br4 N12 O12 Rb4 -","4","0.5","","Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11555","11561","10.1039/d1dt02217b","","","0.71073","MoKα","","0.0554","0.032","","","0.0508","0.059","","","","","","1.108","","","","has coordinates","268747","2021-09-06","11:07:24",""
"7707923","7.4445","0.0003","8.2726","0.0005","13.7915","0.0007","90","","90","","90","","849.35","0.08","100","2","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H3 I N3 O3 Rb -","- C3 H3 I N3 O3 Rb -","- C12 H12 I4 N12 O12 Rb4 -","4","0.5","","Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11555","11561","10.1039/d1dt02217b","","","0.71073","MoKα","","0.0629","0.0362","","","0.0624","0.0713","","","","","","1.047","","","","has coordinates","268747","2021-09-06","11:07:25",""
"7707924","6.863","0.0007","9.0765","0.0008","12.8352","0.001","90","","90","","90","","799.53","0.12","297","2","297","","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C3 H3 Br Cs N3 O3 -","- C3 H3 Br Cs N3 O3 -","- C12 H12 Br4 Cs4 N12 O12 -","4","0.5","","Wang, Jinhui; Zhang, Xinyuan; Liang, Fei; Hu, Zhanggui; Wu, Yicheng","Co-crystal AX·(H<sub>3</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11555","11561","10.1039/d1dt02217b","","","0.71073","MoKα","","0.0864","0.0467","","","0.0974","0.1149","","","","","","1.123","","","","has coordinates","268747","2021-09-06","11:07:25",""
"7707925","9.6712","0.0006","9.1623","0.0004","18.0456","0.001","90","","92.563","0.002","90","","1597.43","0.15","273","2","273.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C6 H12 Br9 Mn O8 Pb8 -","- C6 H12 Br9 Mn O8 Pb8 -","- C12 H24 Br18 Mn2 O16 Pb16 -","2","0.5","","Zhang, Lu; Ma, Wen; Sun, Chen; Fang, Lei; Song, Xueling; Fei, Honghan","Precise incorporation of transition metals into organolead oxyhalide crystalline materials for photocatalysis.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11360","11364","10.1039/d1dt01621k","","","0.71073","MoKα","","0.0607","0.0581","","","0.1559","0.1588","","","","","","1.081","","","","has coordinates","268754","2021-09-06","11:09:19",""
"7707926","23.771","0.003","7.885","0.0009","29.986","0.003","90","","97.881","0.0018","90","","5567.3","1.1","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 Ba N13 O10 -","- C17 H25 Ba N13 O10 -","- C136 H200 Ba8 N104 O80 -","8","1","","Yang, Jie; Zhang, Shunlin; Feng, Zhe; Cao, Ying; Zhu, Dun-Ru","Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11975","11985","10.1039/d1dt02116h","","","0.71073","MoKα","","0.0524","0.0412","","","0.1091","0.1135","","","","","","1.086","","","","has coordinates,has disorder","268808","2021-09-06","11:29:14",""
"7707927","8.8208","0.0018","13.413","0.003","14.323","0.003","78.52","0.03","78.89","0.03","87.03","0.03","1629.4","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Ba2 N18 O15 -","- C12 H24 Ba2 N18 O15 -","- C24 H48 Ba4 N36 O30 -","2","1","","Yang, Jie; Zhang, Shunlin; Feng, Zhe; Cao, Ying; Zhu, Dun-Ru","Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11975","11985","10.1039/d1dt02116h","","","0.71073","MoKα","","0.0607","0.0403","","","0.0828","0.0879","","","","","","1.061","","","","has coordinates","268808","2021-09-06","11:29:15",""
"7707928","7.6861","0.0015","13.929","0.003","13.995","0.003","85.24","0.03","77.99","0.03","88.18","0.03","1460.3","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Ba3 N20 O10 -","- C14 H18 Ba3 N20 O10 -","- C28 H36 Ba6 N40 O20 -","2","1","","Yang, Jie; Zhang, Shunlin; Feng, Zhe; Cao, Ying; Zhu, Dun-Ru","Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11975","11985","10.1039/d1dt02116h","","","0.71073","MoKα","","0.0468","0.0339","","","0.0562","0.0594","","","","","","1.096","","","","has coordinates,has disorder","268808","2021-09-06","11:29:15",""
"7707929","5.3398","0.00022","5.3398","","11.4765","0.0006","90","","90","","90","","327.23","0.02","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Nb Nd O4 -","- Nb Nd O4 -","- Nb4 Nd4 O16 -","4","0.25","","Saura-Múzquiz, Matilde; Mullens, Bryce G.; Maynard-Casely, Helen E; Kennedy, Brendan J.","Neutron diffraction study of the monoclinic - tetragonal phase transition in NdNbO<sub>4</sub> and NdTaO<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11485","11497","10.1039/d1dt01981c","powder diffraction","neutron","1.5413","","","","","","","","","0.09777","","1.27","","","","","","","has coordinates","268751","2021-09-06","11:08:27",""
"7707930","5.36222","0.00028","5.36222","","11.5249","0.0007","90","","90","","90","","331.38","0.03","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- Nd O4 Ta -","- Nd O4 Ta -","- Nd4 O16 Ta4 -","4","0.25","","Saura-Múzquiz, Matilde; Mullens, Bryce G.; Maynard-Casely, Helen E; Kennedy, Brendan J.","Neutron diffraction study of the monoclinic - tetragonal phase transition in NdNbO<sub>4</sub> and NdTaO<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11485","11497","10.1039/d1dt01981c","powder diffraction","neutron","1.5393","","","","","","","","","0.10643","","1.09","","","","","","","has coordinates","268751","2021-09-06","11:08:27",""
"7707931","5.46272","0.00018","11.2666","0.0004","5.14029","0.00018","90","","94.5234","0.0025","90","","315.38","0.019","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nb Nd O4 -","- Nb Nd O4 -","- Nb4 Nd4 O16 -","4","0.5","","Saura-Múzquiz, Matilde; Mullens, Bryce G.; Maynard-Casely, Helen E; Kennedy, Brendan J.","Neutron diffraction study of the monoclinic - tetragonal phase transition in NdNbO<sub>4</sub> and NdTaO<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11485","11497","10.1039/d1dt01981c","powder diffraction","neutron","1.5413","","","","","","","","","0.03928","","1.18","","","","","","","has coordinates","268751","2021-09-06","11:08:27",""
"7707932","5.50402","0.00022","11.2142","0.0005","5.10419","0.00021","90","","95.7208","0.003","90","","313.48","0.02","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Nd O4 Ta -","- Nd O4 Ta -","- Nd4 O16 Ta4 -","4","0.5","","Saura-Múzquiz, Matilde; Mullens, Bryce G.; Maynard-Casely, Helen E; Kennedy, Brendan J.","Neutron diffraction study of the monoclinic - tetragonal phase transition in NdNbO<sub>4</sub> and NdTaO<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11485","11497","10.1039/d1dt01981c","powder diffraction","neutron","1.5413","","","","","","","","","0.03795","","1.29","","","","","","","has coordinates","268751","2021-09-06","11:08:27",""
"7707933","9.5705","0.0003","17.6043","0.0006","19.2246","0.0007","93.352","0.001","90.187","0.001","98.87","0.002","3194.54","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H90 I2 P2 Rh2 Si4 -","- C64 H90 I2 P2 Rh2 Si4 -","- C128 H180 I4 P4 Rh4 Si8 -","2","1","","Abeynayake, Niroshani S.; Zamora-Moreno, Julio; Gorla, Saidulu; Donnadieu, Bruno; Muñoz-Hernández, Miguel A; Montiel-Palma, Virginia","14-Electron Rh and Ir silylphosphine complexes and their catalytic activity in alkene functionalization with hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11783","11792","10.1039/d1dt00677k","","","1.54178","CuKα","","0.0252","0.0236","","","0.0543","0.0553","","","","","","1.105","","","","has coordinates","268812","2021-09-06","11:30:01",""
"7707934","11.7311","0.0008","21.7488","0.0015","15.5316","0.0011","90","","93.067","0.002","90","","3957","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 F3 O3 P Rh S Si2 -","- C39 H51 F3 O3 P Rh S Si2 -","- C156 H204 F12 O12 P4 Rh4 S4 Si8 -","4","1","","Abeynayake, Niroshani S.; Zamora-Moreno, Julio; Gorla, Saidulu; Donnadieu, Bruno; Muñoz-Hernández, Miguel A; Montiel-Palma, Virginia","14-Electron Rh and Ir silylphosphine complexes and their catalytic activity in alkene functionalization with hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11783","11792","10.1039/d1dt00677k","","","1.54178","CuKα","","0.0369","0.036","","","0.0955","0.0968","","","","","","1.047","","","","has coordinates","268812","2021-09-06","11:30:02",""
"7707935","11.4574","0.0011","11.4574","0.0011","24.066","0.004","90","","90","","90","","3159.2","0.7","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C32 H45 Br P Rh Si2 -","- C32 H45 Br P Rh Si2 -","- C128 H180 Br4 P4 Rh4 Si8 -","4","1","","Abeynayake, Niroshani S.; Zamora-Moreno, Julio; Gorla, Saidulu; Donnadieu, Bruno; Muñoz-Hernández, Miguel A; Montiel-Palma, Virginia","14-Electron Rh and Ir silylphosphine complexes and their catalytic activity in alkene functionalization with hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11783","11792","10.1039/d1dt00677k","","","0.71073","MoKα","","0.0172","0.0169","","","0.0405","0.0406","","","","","","1.051","","","","has coordinates","268812","2021-09-06","11:30:02",""
"7707936","10.884","0.003","18.13","0.005","20.983","0.005","90","","101.172","0.008","90","","4062","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Cl7 Ga P Rh Si2 -","- C32.999 H44.999 Cl6.997 Ga P Rh Si2 -","- C131.996 H179.996 Cl27.988 Ga4 P4 Rh4 Si8 -","4","1","","Abeynayake, Niroshani S.; Zamora-Moreno, Julio; Gorla, Saidulu; Donnadieu, Bruno; Muñoz-Hernández, Miguel A; Montiel-Palma, Virginia","14-Electron Rh and Ir silylphosphine complexes and their catalytic activity in alkene functionalization with hydrosilanes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11783","11792","10.1039/d1dt00677k","","","0.71073","MoKα","","0.0314","0.029","","","0.0728","0.0742","","","","","","1.052","","","","has coordinates,has disorder","268812","2021-09-06","11:30:02",""
"7707937","9.509","0.0002","9.509","0.0002","42.3552","0.0008","90","","90","","120","","3316.71","0.12","296","2","296","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B2 O25 Pb6 Si8 -","- B2.036 O25 Pb6 Si7.964 -","- B12.216 O150 Pb36 Si47.784 -","6","0.166667","","Chang, Ling-Wei; Lii, Kwang-Hwa","High-temperature, high-pressure hydrothermal synthesis, crystal structure, and solid state NMR spectroscopy of a lead borosilicate with boron-silicon mixing: Pb<sub>6</sub>B<sub>2</sub>Si<sub>8</sub>O<sub>25</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11173","11179","10.1039/d1dt02027g","","","0.71073","MoKα","","0.0183","0.0147","","","0.0301","0.0309","","","","","","1.126","","","","has coordinates,has disorder","268742","2021-09-06","11:05:41",""
"7707938","15.4363","0.0011","16.3179","0.0012","12.9166","0.0009","90","","113.89","0.001","90","","2974.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl7 Ir N2 O3 -","- C25 H28 Cl7 Ir N2 O3 -","- C100 H112 Cl28 Ir4 N8 O12 -","4","1","","Karataş, Mert Olgun; Alıcı, Bülent; Passarelli, Vincenzo; Özdemir, Ismail; Pérez-Torrente, Jesús J; Castarlenas, Ricardo","Iridium(i) complexes bearing hemilabile coumarin-functionalised N-heterocyclic carbene ligands with application as alkyne hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11206","11215","10.1039/d1dt01946e","","","0.71073","MoKα","","0.0555","0.0343","","","0.0594","0.0665","","","","","","1.031","","","","has coordinates,has disorder","268735","2021-09-06","11:03:44",""
"7707939","15.4666","0.0009","14.5473","0.0009","15.8594","0.0009","90","","96.053","0.001","90","","3548.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.75 H37.75 Cl6.25 Ir N2 O2 -","- C36 H37 Cl4 Ir N2 O2 -","- C144 H148 Cl16 Ir4 N8 O8 -","4","1","","Karataş, Mert Olgun; Alıcı, Bülent; Passarelli, Vincenzo; Özdemir, Ismail; Pérez-Torrente, Jesús J; Castarlenas, Ricardo","Iridium(i) complexes bearing hemilabile coumarin-functionalised N-heterocyclic carbene ligands with application as alkyne hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11206","11215","10.1039/d1dt01946e","","","0.71073","MoKα","","0.0565","0.0378","","","0.0811","0.0885","","","","","","1.026","","","","has coordinates","268735","2021-09-06","11:03:44",""
"7707940","9.3506","0.0006","33.3034","0.001","10.8189","0.0008","90","","107.46","0.007","90","","3213.9","0.4","499.99","0.1","499.99","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 B2 F8 Fe N12 O2 -","- C24 H20 B2 F8 Fe N12 O2 -","- C96 H80 B8 F32 Fe4 N48 O8 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Blundell, Toby J.; Le Maguere, Pierre; Turner, Scott S.","Exceptionally high temperature spin crossover in amide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complex revealed by variable temperature Raman spectroscopy and single crystal X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11843","11851","10.1039/d1dt01743h","","x-ray","1.54184","CuKα","","0.0858","0.0575","","","0.1712","0.1988","","","","","","1.008","","","","has coordinates,has disorder","268804","2021-09-06","11:26:59",""
"7707941","9.25463","0.00017","32.5863","0.0006","10.5351","0.0002","90","","109.62","0.008","90","","2992.65","0.18","290","","290","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[2,6-bis(1H-pyrazol-1-yl)pyridine-4-carboxamide]-iron bis[tetrafluoridoborate]","","- C24 H20 B2 F8 Fe N12 O2 -","- C24 H20 B2 F8 Fe N12 O2 -","- C96 H80 B8 F32 Fe4 N48 O8 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Blundell, Toby J.; Le Maguere, Pierre; Turner, Scott S.","Exceptionally high temperature spin crossover in amide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complex revealed by variable temperature Raman spectroscopy and single crystal X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11843","11851","10.1039/d1dt01743h","","","0.71075","MoKα","","0.0507","0.0388","","","0.0908","0.0967","","","","","","1.033","","","","has coordinates,has disorder","268804","2021-09-06","11:27:02",""
"7707942","9.2486","0.00019","32.5567","0.0008","10.3344","0.0002","90","","109.892","0.008","90","","2926.07","0.18","101","","101","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis[2,6-bis(1H-pyrazol-1-yl)pyridine-4-carboxamide]-iron bis[tetrafluoridoborate]","","- C24 H20 B2 F8 Fe N12 O2 -","- C24 H20 B2 F8 Fe N12 O2 -","- C96 H80 B8 F32 Fe4 N48 O8 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Blundell, Toby J.; Le Maguere, Pierre; Turner, Scott S.","Exceptionally high temperature spin crossover in amide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complex revealed by variable temperature Raman spectroscopy and single crystal X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11843","11851","10.1039/d1dt01743h","","","0.71075","MoKα","","0.0583","0.0489","","","0.13","0.1374","","","","","","1.056","","","","has coordinates,has disorder","268804","2021-09-06","11:27:12",""
"7707943","9.4886","0.0004","32.6089","0.0008","10.5004","0.0004","90","","109.721","0.004","90","","3058.4","0.2","293","1","293","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 Fe N12 O10 -","- C24 H20 Cl2 Fe N12 O10 -","- C96 H80 Cl8 Fe4 N48 O40 -","4","1","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Blundell, Toby J.; Le Maguere, Pierre; Turner, Scott S.","Exceptionally high temperature spin crossover in amide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complex revealed by variable temperature Raman spectroscopy and single crystal X-ray diffraction.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11843","11851","10.1039/d1dt01743h","","x-ray","0.71073","MoKα","","0.0963","0.0633","","","0.1055","0.1164","","","","","","1.09","","","","has coordinates,has disorder","268804","2021-09-06","11:27:16",""
"7707944","8.1204","0.0005","14.6197","0.0012","22.6698","0.0014","90","","90","","90","","2691.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N O5 Ru S2 -","- C18 H22 N O5 Ru S2 -","- C72 H88 N4 O20 Ru4 S8 -","4","1","","Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Redox induced S-S bond cleavage of 2,2'-dithiobisbenzothiazole - leading to a [2Ru-2S] core analogous to [2Fe-2S] cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12408","12412","10.1039/d1dt02211c","","x-ray","1.54184","CuKα","","0.0954","0.0718","","","0.1744","0.1955","","","","","","1.007","","","","has coordinates","269721","2021-10-06","15:39:46",""
"7707945","20.7932","0.0007","9.0294","0.0002","20.3219","0.0005","90","","102.513","0.003","90","","3724.81","0.18","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N O4 Ru S2 -","- C17 H18 N O4 Ru S2 -","- C136 H144 N8 O32 Ru8 S16 -","8","1","","Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Redox induced S-S bond cleavage of 2,2'-dithiobisbenzothiazole - leading to a [2Ru-2S] core analogous to [2Fe-2S] cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12408","12412","10.1039/d1dt02211c","","x-ray","0.71073","MoKα","","0.0553","0.044","","","0.1022","0.1102","","","","","","1.073","","","","has coordinates","269721","2021-10-06","15:39:46",""
"7707946","11.6447","0.0004","16.6071","0.0005","11.6908","0.0003","90","","98.332","0.003","90","","2236.96","0.12","152","3","152","3","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H38 Cl5 N O P2 Ru S2 -","- C46 H38 Cl5 N O P2 Ru S2 -","- C92 H76 Cl10 N2 O2 P4 Ru2 S4 -","2","1","","Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Redox induced S-S bond cleavage of 2,2'-dithiobisbenzothiazole - leading to a [2Ru-2S] core analogous to [2Fe-2S] cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12408","12412","10.1039/d1dt02211c","","x-ray","0.71073","MoKα","","0.0659","0.0651","","","0.1796","0.1805","","","","","","1.089","","","","has coordinates","269721","2021-10-06","15:39:46",""
"7707947","17.385","0.006","9.6103","0.0017","17.425","0.007","90","","115.53","0.011","90","","2627","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl F3 N3 O3 Rh S -","- C25 H28 Cl F3 N3 O3 Rh S -","- C100 H112 Cl4 F12 N12 O12 Rh4 S4 -","4","1","","Mansour, Ahmed M.; Radacki, Krzysztof; Shehab, Ola R.","Sulfonate improves water solubility and cell selective toxicity and alters the lysozyme binding activity of half sandwich Rh(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10701","10706","10.1039/d1dt00979f","","","0.71073","MoKα","","0.0488","0.0416","","","0.089","0.0934","","","","","","1.088","","","","has coordinates,has disorder","268786","2021-09-06","11:19:45",""
"7707948","17.8342","0.0017","19.1569","0.0018","18.2002","0.0017","90","","91.831","0.005","90","","6214.9","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C69 H88 B2 Co N10 -","- C69 H88 B2 Co N10 -","- C276 H352 B8 Co4 N40 -","4","1","","Malik, Deesha D.; Chandra, Anirban; Seo, Mi Sook; Lee, Yong-Min; Farquhar, Erik R.; Mebs, Stefan; Dau, Holger; Ray, Kallol; Nam, Wonwoo","Formation of cobalt-oxygen intermediates by dioxygen activation at a mononuclear nonheme cobalt(ii) center.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11889","11898","10.1039/d1dt01996a","","","0.71073","MoKα","","0.0873","0.0497","","","0.108","0.1277","","","","","","1.062","","","","has coordinates","268813","2021-09-06","11:30:26",""
"7707949","12.855","0.0006","13.054","0.0007","13.8019","0.0007","109.225","0.0016","99.632","0.0017","100.931","0.0016","2080.26","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H84 Au4 O2 P4 S4 -","- C96 H84 Au4 O2 P4 S4 -","- C96 H84 Au4 O2 P4 S4 -","1","0.5","","Ang, Pau Lin; Nguyen, Van Ha; Yip, John H. K.","A dynamic tetranuclear gold(i)-cyclophane - gold(i)-centred chirality and fluxionality arising from an intramolecular shift of Au-S bonds.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11422","11428","10.1039/d1dt01984h","","","0.71073","MoKα","","0.0388","0.0268","","","0.0582","0.0621","","","","","","1.042","","","","has coordinates","268746","2021-09-06","11:07:15",""
"7707950","14.2093","0.0008","14.2093","0.0008","14.2093","0.0008","90","","90","","90","","2868.9","0.3","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C31 H33 O8 P U -","- C31 H32.9997 O8 P U -","- C124 H131.999 O32 P4 U4 -","4","0.333333","","Thuéry, Pierre; Harrowfield, Jack","A chiral uranyl-Kemp's tricarboxylate cubic framework: structure-directing effect of counterions with three-fold rotational symmetry.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11021","11024","10.1039/d1dt02232f","","","0.71073","MoKα","","0.0099","0.0099","","","0.0253","0.0253","","","","","","1.085","","","","has coordinates","268736","2021-09-06","11:04:03",""
"7707951","9.8786","0.0004","17.2644","0.0006","15.6853","0.0006","90","","101.359","0.004","90","","2622.7","0.18","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H30 Cl5 I2 N -","- C20 H30 Cl5 I2 N -","- C80 H120 Cl20 I8 N4 -","4","0.5","","Tania, ?; Poynder, Tiffany B.; Kaur, Aishvaryadeep; Barwise, Lachlan; Houston, Sevan D.; Nair, Akshay J.; Clegg, Jack K.; Wilson, David J. D.; Dutton, Jason L.","PhICl<sub>2</sub> is activated by chloride ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11986","11991","10.1039/d1dt02565a","","x-ray","0.71073","MoKα","","0.0283","0.0239","","","0.0493","0.0506","","","","","","1.048","","","","has coordinates","268811","2021-09-06","11:29:37",""
"7707952","11.4324","0.0011","12.7542","0.0013","28.438","0.003","94.057","0.005","94.695","0.005","107.346","0.005","3924.9","0.7","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","Ce(Ph-PDB)3","Ce(BH3Ph2BH3)3","","- C72 H96 B12 Ce2 P6 -","- C72 H96 B12 Ce2 P6 -","- C144 H192 B24 Ce4 P12 -","2","1","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.0538","0.0381","","","0.0659","0.0704","","","","","","1.038","","","","has coordinates","268752","2021-09-06","11:08:52",""
"7707953","11.4764","0.0014","12.8102","0.0015","15.1334","0.0018","104.03","0.005","100.044","0.005","107.371","0.005","1985.5","0.4","150","2","149.97","","","","","","","","","5","P -1","-P 1","2","U(Ph-PDB)3_polymer","U(BH3Ph2BH3)3","","- C72 H96 B12 P6 U2 -","- C72 H96 B12 P6 U2 -","- C72 H96 B12 P6 U2 -","1","0.5","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.0534","0.0384","","","0.0745","0.0787","","","","","","1.005","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707954","18.8498","0.0019","9.6187","0.001","23.96","0.002","90","","109.622","0.005","90","","4091.9","0.7","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","U(Ph-PDB)3_dimer","U2(BH3Ph2BH3)6","","- C72 H96 B12 P6 U2 -","- C72 H96 B12 P6 U2 -","- C144 H192 B24 P12 U4 -","2","0.5","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.0913","0.0474","","","0.0976","0.1143","","","","","","1.026","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707955","11.5469","0.0019","14.97","0.003","17.592","0.003","97.233","0.005","96.868","0.005","111.125","0.005","2768.9","0.9","150","2","150.15","","","","","","","","","6","P -1","-P 1","2","Pr(Ph-PDB)3(THF)3","Nd(BH3Ph2BH3)3(THF)3","","- C48 H72 B6 Nd O3 P3 -","- C48 H72 B6 Nd O3 P3 -","- C96 H144 B12 Nd2 O6 P6 -","2","1","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.1038","0.0658","","","0.1452","0.1634","","","","","","1.034","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707956","9.5213","0.0011","15.3494","0.0017","15.8099","0.0018","90","","90","","90","","2310.6","0.5","150","2","150.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","U(H-PDB)","U(BH3Ph2BH3)I2(THF)3","","- C12 H24 B2 I2 O3 P U -","- C12 H24 B2 I2 O3 P U -","- C48 H96 B8 I8 O12 P4 U4 -","4","0.5","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.0771","0.0548","","","0.1563","0.1727","","","","","","1.084","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707957","18.826","0.003","9.6646","0.0017","23.904","0.004","90","","109.675","0.005","90","","4095.3","1.2","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Nd2(BH3Ph2BH3)6","","- C72 H96 B12 Nd2 P6 -","- C72 H96 B12 Nd2 P6 -","- C144 H192 B24 Nd4 P12 -","2","0.5","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.1427","0.0679","","","0.1382","0.1726","","","","","","1.012","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707958","37.239","0.004","9.6296","0.001","23.924","0.002","90","","107.636","0.005","90","","8175.9","1.4","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pr(Ph-PDB)3","Pr2(BH3Ph2BH3)6","","- C72 H96 B12 P6 Pr2 -","- C72 H96 B12 P6 Pr2 -","- C288 H384 B48 P24 Pr8 -","4","1","","Fetrow, Taylor V.; Daly, Scott R.","Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11472","11484","10.1039/d1dt01932e","","","0.71073","MoKα","","0.1154","0.0575","","","0.1023","0.124","","","","","","1.012","","","","has coordinates,has disorder","268752","2021-09-06","11:08:52",""
"7707959","17.1503","0.0013","25.5807","0.0019","35.868","0.003","93.153","0.002","99.868","0.002","106.34","0.001","14788","2","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C8 H136 N4 Na14 O214 Se6 W45 Yb4 -","- C6 H28 N3 Na O181 Se6 W45 Yb4 -","- C12 H56 N6 Na2 O362 Se12 W90 Yb8 -","2","1","","Han, Li-Zhi; Jiao, Cheng-Qi; Chen, Wei-Chao; Shao, Kui-Zhan; Jin, Long-Yi; Su, Zhong-Min","Assembly of tetra-nuclear Yb<sup>III</sup>-containing selenotungstate clusters: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11535","11541","10.1039/d1dt01282g","","","0.71073","MoKα","","0.1702","0.0756","","","0.1707","0.2282","","","","","","1.018","","","","has coordinates","268753","2021-09-06","11:09:06",""
"7707960","50.919","0.002","23.3103","0.0008","20.2832","0.0008","90","","90","","90","","24074.9","1.6","296","2","296.15","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C12 H152 N6 Na14 O212 Se6 W44 Yb4 -","- C8 H36 N4 Na O181 Se6 W44 Yb4 -","- C32 H144 N16 Na4 O724 Se24 W176 Yb16 -","4","0.5","","Han, Li-Zhi; Jiao, Cheng-Qi; Chen, Wei-Chao; Shao, Kui-Zhan; Jin, Long-Yi; Su, Zhong-Min","Assembly of tetra-nuclear Yb<sup>III</sup>-containing selenotungstate clusters: synthesis, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11535","11541","10.1039/d1dt01282g","","","0.71073","MoKα","","0.119","0.0552","","","0.112","0.1392","","","","","","1.029","","","","has coordinates,has disorder","268753","2021-09-06","11:09:07",""
"7707961","16.2702","0.0008","10.6138","0.0004","16.3833","0.0013","90","","99.212","0.005","90","","2792.7","0.3","100","2","100","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H36 Ge O4 -","- C34 H36 Ge O4 -","- C136 H144 Ge4 O16 -","4","0.5","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0273","0.0246","","","0.0604","0.0624","","","","","","1.077","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7707962","12.7158","0.0004","12.7206","0.0004","18.0599","0.0006","90","","107.229","0.002","90","","2790.16","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H36 Ge O2 -","- C34 H36 Ge O2 -","- C136 H144 Ge4 O8 -","4","1","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0731","0.0391","","","0.0873","0.1042","","","","","","1.03","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7707963","17.9351","0.0006","9.0656","0.0003","16.5569","0.0005","90","","101.517","0.002","90","","2637.82","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Ge O2 -","- C32 H32 Ge O2 -","- C128 H128 Ge4 O8 -","4","1","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0488","0.0335","","","0.0823","0.0898","","","","","","1.027","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7707964","13.8778","0.0007","13.9293","0.0007","16.3118","0.0008","90","","100.182","0.003","90","","3103.5","0.3","100","2","99.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Ge O2 -","- C38 H44 Ge O2 -","- C152 H176 Ge4 O8 -","4","1","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0501","0.0353","","","0.0851","0.0926","","","","","","1.032","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7707965","10.9006","0.0005","28.6448","0.0012","11.1809","0.0005","90","","118.948","0.002","90","","3055","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H32 Ge O2 S2 -","- C36 H32 Ge O2 S2 -","- C144 H128 Ge4 O8 S8 -","4","2","","Püschmann, Sabrina D; Frühwirt, Philipp; Müller, Stefanie M; Wagner, Stefan H.; Torvisco, Ana; Fischer, Roland C.; Kelterer, Anne-Marie; Griesser, Thomas; Gescheidt, Georg; Haas, Michael","Synthesis and characterization of diacylgermanes: persistent derivatives with superior photoreactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11965","11974","10.1039/d1dt02091a","","x-ray","0.71073","MoKα","","0.0468","0.0348","","","0.073","0.0783","","","","","","1.016","","","","has coordinates","268803","2021-09-06","11:26:42",""
"7707966","14.0128","0.0006","17.0735","0.0007","23.9952","0.001","89.078","0.002","89.403","0.002","68.066","0.0018","5324.5","0.4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H106 Gd4 N6 O26 -","- C114 H98 Gd4 N6 O24 -","- C228 H196 Gd8 N12 O48 -","2","1","","Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Molecular assemblies from linear-shaped Ln<sub>4</sub> clusters to Ln<sub>8</sub> clusters using different β-diketonates: disparate magnetocaloric effects and single-molecule magnet behaviours.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12931","12943","10.1039/d1dt01344k","","","0.71073","MoKα","","0.0648","0.0398","","","0.088","0.0984","","","","","","1.028","","","","has coordinates","269713","2021-10-06","15:34:32",""
"7707967","14.0115","0.0007","17.0605","0.0007","23.9794","0.001","89.0348","0.0017","89.3377","0.0019","68.0886","0.0018","5317.2","0.4","150","2","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H106 Dy4 N6 O26 -","- C114 H98 Dy4 N6 O24 -","- C228 H196 Dy8 N12 O48 -","2","1","","Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Molecular assemblies from linear-shaped Ln<sub>4</sub> clusters to Ln<sub>8</sub> clusters using different β-diketonates: disparate magnetocaloric effects and single-molecule magnet behaviours.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12931","12943","10.1039/d1dt01344k","","","0.71073","MoKα","","0.0652","0.0399","","","0.0903","0.1015","","","","","","1.038","","","","has coordinates","269713","2021-10-06","15:34:32",""
"7707968","14.4129","0.0012","16.7883","0.0014","43.787","0.003","90","","93.5526","0.0018","90","","10574.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H134 Dy8 N30 O52 -","- C110 H126 Dy8 N30 O50 -","- C220 H252 Dy16 N60 O100 -","2","0.5","","Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Molecular assemblies from linear-shaped Ln<sub>4</sub> clusters to Ln<sub>8</sub> clusters using different β-diketonates: disparate magnetocaloric effects and single-molecule magnet behaviours.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12931","12943","10.1039/d1dt01344k","","","0.71073","MoKα","","0.0808","0.0683","","","0.1754","0.1825","","","","","","1.028","","","","has coordinates","269713","2021-10-06","15:34:32",""
"7707969","14.5068","0.0008","17.017","0.0011","44.979","0.003","90","","94.068","0.002","90","","11075.6","1.2","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H134 Gd8 N30 O52 -","- C110 H126 Gd8 N30 O50 -","- C220 H252 Gd16 N60 O100 -","2","0.5","","Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Molecular assemblies from linear-shaped Ln<sub>4</sub> clusters to Ln<sub>8</sub> clusters using different β-diketonates: disparate magnetocaloric effects and single-molecule magnet behaviours.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12931","12943","10.1039/d1dt01344k","","","0.71073","MoKα","","0.0939","0.0528","","","0.1436","0.1607","","","","","","1.056","","","","has coordinates","269713","2021-10-06","15:34:32",""
"7707970","14.0531","0.0007","17.0946","0.0008","24.009","0.0011","88.946","0.002","89.287","0.002","67.992","0.002","5346.4","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C116 H106 Ho4 N6 O26 -","- C114 H98 Ho4 N6 O24 -","- C228 H196 Ho8 N12 O48 -","2","1","","Wang, Wen-Min; Wu, Zhi-Lei; Cui, Jian-Zhong","Molecular assemblies from linear-shaped Ln<sub>4</sub> clusters to Ln<sub>8</sub> clusters using different β-diketonates: disparate magnetocaloric effects and single-molecule magnet behaviours.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12931","12943","10.1039/d1dt01344k","","","0.71073","MoKα","","0.0701","0.0417","","","0.0988","0.1122","","","","","","1.019","","","","has coordinates","269713","2021-10-06","15:34:32",""
"7707971","13.1203","0.0003","13.1203","0.0003","8.6767","0.0004","90","","90","","90","","1493.63","0.08","150.01","0.1","150.15","","","","","","","","","7","P -4 21 m","P -4 2ab","113","","tBuPONNOPCu2Cl2","","- C24 H40 Cl2 Cu2 N2 O2 P2 -","- C24 H40 Cl2 Cu2 N2 O2 P2 -","- C48 H80 Cl4 Cu4 N4 O4 P4 -","2","0.25","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","0.71073","MoKα","","0.0309","0.0259","","","0.0529","0.0554","","","","","","1.107","","","","has coordinates","268807","2021-09-06","11:28:53",""
"7707972","6.319","0.0007","14.4208","0.0018","15.1492","0.0015","83.368","0.009","87.909","0.008","77.724","0.01","1339.8","0.3","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","tBuPONNOP","","- C24 H40 N2 O2 P2 -","- C24 H40 N2 O2 P2 -","- C48 H80 N4 O4 P4 -","2","1","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","","1.54184","CuKα","","0.0971","0.0658","","","0.1776","0.1889","","","","","","1.111","","","","has coordinates","268807","2021-09-06","11:28:53",""
"7707973","12.2144","0.0004","9.5605","0.0003","15.3894","0.0003","90","","92.463","0.002","90","","1795.45","0.09","150","0.1","150","0.1","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","tBuPONNOPAg2Cl2","","- C28 H46 Ag2 Cl2 N4 O2 P2 -","- C28 H46 Ag2 Cl2 N4 O2 P2 -","- C56 H92 Ag4 Cl4 N8 O4 P4 -","2","0.5","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","1.54184","CuKα","","0.0263","0.0238","","","0.0609","0.0617","","","","","","0.993","","","","has coordinates","268807","2021-09-06","11:28:53",""
"7707974","14.4412","0.0006","19.7582","0.0008","24.0737","0.0011","90","","90","","90","","6869","0.5","149.98","0.11","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","tBuPONNOPAu2Cl2","","- C25 H42 Au2 Cl4 N2 O2 P2 -","- C25 H42 Au2 Cl4 N2 O2 P2 -","- C200 H336 Au16 Cl32 N16 O16 P16 -","8","1","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","0.71073","MoKα","","0.0619","0.0368","","","0.0632","0.074","","","","","","1.006","","","","has coordinates,has disorder","268807","2021-09-06","11:28:53",""
"7707975","13.1956","0.0001","13.1956","0.0001","8.8786","0.0001","90","","90","","90","","1545.98","0.02","150","0.1","150","0.1","","","","","","","","7","P -4 21 m","P -4 2ab","113","","tBuPONNOPCu2I2","","- C24 H40 Cu2 I2 N2 O2 P2 -","- C24 H40 Cu2 I2 N2 O2 P2 -","- C48 H80 Cu4 I4 N4 O4 P4 -","2","0.25","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","1.54184","CuKα","","0.0402","0.0401","","","0.0986","0.0988","","","","","","1.142","","","","has coordinates","268807","2021-09-06","11:28:53",""
"7707976","16.8129","0.001","20.1783","0.0013","21.3753","0.0014","74.616","0.006","70.234","0.006","66.202","0.006","6173.9","0.8","150.01","0.1","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","tBuPONNOP2Ag2BArF42","","- C112 H104 Ag2 B2 F48 N4 O4 P4 -","- C112 H104 Ag2 B2 F48 N4 O4 P4 -","- C224 H208 Ag4 B4 F96 N8 O8 P8 -","2","1","","Delaney, Andie R.; Yu, Li-Juan; Coote, Michelle L.; Colebatch, Annie L.","Synthesis of an expanded pincer ligand and its bimetallic coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11909","11917","10.1039/d1dt01741a","","x-ray","1.54184","CuKα","","0.0775","0.0481","","","0.1164","0.1384","","","","","","1.052","","","","has coordinates,has disorder","268807","2021-09-06","11:28:53",""
"7707977","8.264","0.003","17.571","0.007","14.898","0.005","90","","101.254","0.016","90","","2121.7","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 B3 Ru Se7 -","- C10 H17 B3 Ru Se7 -","- C40 H68 B12 Ru4 Se28 -","4","1","","Saha, Koushik; Gayen, Sourav; Kaur, Urminder; Roisnel, Thierry; Ghosh, Sundargopal","Stabilization of dichalcogenide ligands in the coordination sphere of a ruthenium system.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12990","13001","10.1039/d1dt01614h","","","0.71073","MoKα","","0.0423","0.0311","","","0.0828","0.0921","","","","","","0.812","","","","has coordinates","269709","2021-10-06","15:33:43",""
"7707978","9.7476","0.001","14.5175","0.0016","18.5731","0.0018","90","","95.722","0.004","90","","2615.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 B2 Ru2 S6.62 -","- C20 H32 B2 Ru2 S6.62 -","- C80 H128 B8 Ru8 S26.48 -","4","1","","Saha, Koushik; Gayen, Sourav; Kaur, Urminder; Roisnel, Thierry; Ghosh, Sundargopal","Stabilization of dichalcogenide ligands in the coordination sphere of a ruthenium system.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12990","13001","10.1039/d1dt01614h","","","0.71073","MoKα","","0.0366","0.0328","","","0.078","0.0802","","","","","","1.286","","","","has coordinates,has disorder","269709","2021-10-06","15:33:43",""
"7707979","14.8508","0.0015","17.518","0.0018","18.851","0.002","90","","106.413","0.004","90","","4704.4","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cl4 Ru4 S2 -","- C40 H56 Cl4 Ru4 S2 -","- C160 H224 Cl16 Ru16 S8 -","4","1","","Saha, Koushik; Gayen, Sourav; Kaur, Urminder; Roisnel, Thierry; Ghosh, Sundargopal","Stabilization of dichalcogenide ligands in the coordination sphere of a ruthenium system.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12990","13001","10.1039/d1dt01614h","","x-ray","0.71073","MoKα","","0.0292","0.0256","","","0.0623","0.0645","","","","","","1.103","","","","has coordinates","269709","2021-10-06","15:33:43",""
"7707980","8.3945","0.0002","21.4072","0.0005","16.9249","0.0004","90","","95.588","0.001","90","","3027","0.12","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H53 Cl P2 Ru -","- C29 H53 Cl P2 Ru -","- C116 H212 Cl4 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11814","11820","10.1039/d1dt02266k","","","0.71073","MoKα","","0.0289","0.0253","","","0.0515","0.0526","","","","","","1.008","","","","has coordinates","268802","2021-09-06","11:26:28",""
"7707981","13.4968","0.0005","17.6039","0.0006","12.2964","0.0005","90","","104.829","0.002","90","","2824.27","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Cl P2 Ru -","- C29 H47 Cl P2 Ru -","- C116 H188 Cl4 P8 Ru4 -","4","1","","Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11814","11820","10.1039/d1dt02266k","","","0.71073","MoKα","","0.0307","0.0247","","","0.0593","0.062","","","","","","1.033","","","","has coordinates,has disorder","268802","2021-09-06","11:26:29",""
"7707982","12.1104","0.0002","14.1717","0.0003","14.9865","0.0003","67.459","0.001","89.607","0.001","88.429","0.001","2374.65","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C94 H146 Cl6 P6 Ru3 -","- C94 H146 Cl6 P6 Ru3 -","- C94 H146 Cl6 P6 Ru3 -","1","1","","Wiedmaier, Nicholas R.; Schubert, Hartmut; Mayer, Hermann A.; Wesemann, Lars","Carbocyclic pincer carbene complexes of ruthenium: syntheses and reversible hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11814","11820","10.1039/d1dt02266k","","","0.71073","MoKα","","0.0297","0.0279","","","0.0657","0.0667","","","","","","1.037","","","","has coordinates","268802","2021-09-06","11:26:29",""
"7707983","4.8378","0.0009","8.099","0.0015","12.107","0.002","89.007","0.007","86.381","0.007","73.344","0.007","453.56","0.14","250","2","250","2","","","","","","","","3","P -1","-P 1","2","Tin(II) Tin(IV) Sulfate","","","- O12 S3 Sn2 -","- O12 S3 Sn2 -","- O24 S6 Sn4 -","2","1","","Hämmer, Matthias; Netzsch, Philip; Klenner, Steffen; Neuschulz, Kai; Struckmann, Mona; Wickleder, Mathias S.; Daub, Michael; Hillebrecht, Harald; Pöttgen, Rainer; Höppe, Henning A","The tin sulfates Sn(SO<sub>4</sub>)<sub>2</sub> and Sn2(SO4)3: crystal structures, optical and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12913","12922","10.1039/d1dt02189c","","","0.71073","MoKα","","0.0477","0.0342","","","0.0559","0.0579","","","","","","1.066","","","","has coordinates","269701","2021-10-06","15:29:37",""
"7707984","5.0434","0.0003","10.6543","0.0006","10.6547","0.0006","90","","91.991","0.002","90","","572.17","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Tin(IV) Sulfate","","","- O8 S2 Sn -","- O8 S2 Sn -","- O32 S8 Sn4 -","4","1","","Hämmer, Matthias; Netzsch, Philip; Klenner, Steffen; Neuschulz, Kai; Struckmann, Mona; Wickleder, Mathias S.; Daub, Michael; Hillebrecht, Harald; Pöttgen, Rainer; Höppe, Henning A","The tin sulfates Sn(SO<sub>4</sub>)<sub>2</sub> and Sn2(SO4)3: crystal structures, optical and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12913","12922","10.1039/d1dt02189c","","","0.71073","MoKα","","0.05","0.037","","","0.0815","0.0961","","","","","","1.146","","","","has coordinates","269701","2021-10-06","15:29:38",""
"7707985","7.539","0.0003","8.0239","0.0003","9.1447","0.0003","90","","92.496","0.002","90","","552.66","0.04","286","2","286","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Tin(IV) Sulfate","","","- O8 S2 Sn -","- O8 S2 Sn -","- O32 S8 Sn4 -","4","1","","Hämmer, Matthias; Netzsch, Philip; Klenner, Steffen; Neuschulz, Kai; Struckmann, Mona; Wickleder, Mathias S.; Daub, Michael; Hillebrecht, Harald; Pöttgen, Rainer; Höppe, Henning A","The tin sulfates Sn(SO<sub>4</sub>)<sub>2</sub> and Sn2(SO4)3: crystal structures, optical and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12913","12922","10.1039/d1dt02189c","","","0.71073","MoKα","","0.0207","0.0158","","","0.0325","0.0333","","","","","","1.064","","","","has coordinates","269701","2021-10-06","15:29:38",""
"7707986","11.925","0.002","12.023","0.002","14.135","0.003","95.16","0.03","105.55","0.03","110.74","0.03","1787","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H37 Eu N2 O6 -","- C39 H37 Eu N2 O6 -","- C78 H74 Eu2 N4 O12 -","2","1","","Utochnikova, Valentina V.; Aslandukov, Andrey N.; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Alexandrov, Alexey A.; Grzibovskis, Raitis; Bünzli, Jean-Claude G","Identifying lifetime as one of the key parameters responsible for the low brightness of lanthanide-based OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12806","12813","10.1039/d1dt02269e","","","0.71073","MoKα","","0.0346","0.0288","","","0.0665","0.0691","","","","","","1.044","","","","has coordinates","269702","2021-10-06","15:30:54",""
"7707987","9.849","0.002","10.323","0.002","24.422","0.005","97.899","0.005","99.011","0.005","105.648","0.004","2319","0.8","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C112 H92 Eu2 N8 O14 -","- C112 H92 Eu2 N8 O14 -","- C112 H92 Eu2 N8 O14 -","1","0.5","","Utochnikova, Valentina V.; Aslandukov, Andrey N.; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Alexandrov, Alexey A.; Grzibovskis, Raitis; Bünzli, Jean-Claude G","Identifying lifetime as one of the key parameters responsible for the low brightness of lanthanide-based OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12806","12813","10.1039/d1dt02269e","","","0.71073","MoKα","","0.1275","0.0798","","","0.1817","0.202","","","","","","1.034","","","","has coordinates","269702","2021-10-06","15:30:55",""
"7707988","12.2202","0.0005","14.218","0.0006","23.2725","0.001","100.343","0.001","90.8","0.001","100.004","0.001","3913.1","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C82 H98 Eu2 N4 O14 -","- C82 H98 Eu2 N4 O14 -","- C164 H196 Eu4 N8 O28 -","2","1","","Utochnikova, Valentina V.; Aslandukov, Andrey N.; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Alexandrov, Alexey A.; Grzibovskis, Raitis; Bünzli, Jean-Claude G","Identifying lifetime as one of the key parameters responsible for the low brightness of lanthanide-based OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12806","12813","10.1039/d1dt02269e","","","0.71073","MoKα","","0.093","0.0483","","","0.1","0.1161","","","","","","0.974","","","","has coordinates,has disorder","269702","2021-10-06","15:30:55",""
"7707989","10.8114","0.0006","15.8899","0.0008","28.6502","0.0015","90","","92.314","0.001","90","","4917.9","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H34 Eu F15 N2 O9 -","- C53 H34 Eu F15 N2 O9 -","- C212 H136 Eu4 F60 N8 O36 -","4","1","","Utochnikova, Valentina V.; Aslandukov, Andrey N.; Vashchenko, Andrey A.; Goloveshkin, Alexander S.; Alexandrov, Alexey A.; Grzibovskis, Raitis; Bünzli, Jean-Claude G","Identifying lifetime as one of the key parameters responsible for the low brightness of lanthanide-based OLEDs.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12806","12813","10.1039/d1dt02269e","","","0.71073","MoKα","","0.0925","0.039","","","0.0684","0.0825","","","","","","0.992","","","","has coordinates","269702","2021-10-06","15:30:55",""
"7707990","5.74437","0.00017","16.4318","0.0004","8.3018","0.0002","90","","99.009","0.001","90","","773.94","0.04","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Li(SCN) THF","","","- C5 H8 Li N O S -","- C5 Li N O S -","- C20 Li4 N4 O4 S4 -","4","1","","Conrad, Maurice; Joos, Markus; Bette, Sebastian; Dinnebier, Robert E.; Maier, Joachim; Schleid, Thomas","Synthesis and characterisation of two lithium-thiocyanate solvates with tetrahydrofuran: Li[SCN]·THF and Li[SCN]·2THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12292","12300","10.1039/d1dt02124a","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.0179","","","","","","","","","has coordinates","269733","2021-10-06","15:43:26",""
"7707991","11.3273","0.0006","16.3798","0.0009","12.6486","0.0007","90","","94.393","0.003","90","","2339.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","lithium thiocyanate ditetrahydrofuranate","","- C9 H16 Li N O2 S -","- C9 H16 Li N O2 S -","- C72 H128 Li8 N8 O16 S8 -","8","2","","Conrad, Maurice; Joos, Markus; Bette, Sebastian; Dinnebier, Robert E.; Maier, Joachim; Schleid, Thomas","Synthesis and characterisation of two lithium-thiocyanate solvates with tetrahydrofuran: Li[SCN]·THF and Li[SCN]·2THF.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12292","12300","10.1039/d1dt02124a","","x-ray","0.71073","MoKα","","0.0651","0.04","","","0.1079","0.1159","","","","","","1.108","","","","has coordinates,has disorder","269733","2021-10-06","15:43:31",""
"7707992","11.8623","0.0011","13.4002","0.0013","14.7222","0.0018","111.336","0.004","92.57","0.004","110.32","0.003","2004.5","0.4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H58 Cu Dy Na O13 -","- C29 H58 Cu Dy Na O13 -","- C58 H116 Cu2 Dy2 Na2 O26 -","2","1","","Bovkunova, Anna A.; Bazhina, Evgeniya S.; Evstifeev, Igor S.; Nelyubina, Yulia V.; Shmelev, Maxim A.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Two types of Ln<sub>2</sub>Cu<sub>2</sub> hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12275","12286","10.1039/d1dt01161h","","","0.71073","MoKα","","0.0314","0.0282","","","0.0567","0.0592","","","","","","1.087","","","","has coordinates,has disorder","269736","2021-10-06","15:44:23",""
"7707993","12.2553","0.0006","12.5148","0.0006","13.7686","0.0007","112.746","0.001","108.384","0.001","102.369","0.001","1706.34","0.15","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H106 Cu2 Gd2 O26 -","- C48 H106 Cu2 Gd2 O26 -","- C48 H106 Cu2 Gd2 O26 -","1","0.5","","Bovkunova, Anna A.; Bazhina, Evgeniya S.; Evstifeev, Igor S.; Nelyubina, Yulia V.; Shmelev, Maxim A.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Two types of Ln<sub>2</sub>Cu<sub>2</sub> hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12275","12286","10.1039/d1dt01161h","","","0.71073","MoKα","","0.0425","0.0359","","","0.0949","0.0995","","","","","","1.037","","","","has coordinates,has disorder","269736","2021-10-06","15:44:24",""
"7707994","11.636","0.012","13.32","0.013","14.564","0.013","111.27","0.03","92.77","0.03","109.53","0.03","1945","3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H58 Cu Gd Na O13 -","- C29 H58 Cu Gd Na O13 -","- C58 H116 Cu2 Gd2 Na2 O26 -","2","1","","Bovkunova, Anna A.; Bazhina, Evgeniya S.; Evstifeev, Igor S.; Nelyubina, Yulia V.; Shmelev, Maxim A.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Two types of Ln<sub>2</sub>Cu<sub>2</sub> hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12275","12286","10.1039/d1dt01161h","","","0.71073","MoKα","","0.0445","0.0379","","","0.0813","0.0855","","","","","","1.037","","","","has coordinates,has disorder","269736","2021-10-06","15:44:24",""
"7707995","11.6772","0.0016","13.2658","0.0016","14.5526","0.0019","111.418","0.005","92.764","0.004","109.635","0.004","1938.7","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H58 Cu Na O13 Tb -","- C29 H58 Cu Na O13 Tb -","- C58 H116 Cu2 Na2 O26 Tb2 -","2","1","","Bovkunova, Anna A.; Bazhina, Evgeniya S.; Evstifeev, Igor S.; Nelyubina, Yulia V.; Shmelev, Maxim A.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Kiskin, Mikhail A.; Eremenko, Igor L.","Two types of Ln<sub>2</sub>Cu<sub>2</sub> hydroxo-trimethylacetate complexes with 0D and 1D motifs: synthetic features, structural differences, and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12275","12286","10.1039/d1dt01161h","","","0.71073","MoKα","","0.0516","0.0394","","","0.0751","0.0793","","","","","","0.992","","","","has coordinates,has disorder","269736","2021-10-06","15:44:24",""
"7707996","10.3847","0.0006","17.547","0.001","12.203","0.0006","90","","103.354","0.005","90","","2163.5","0.2","129.9","0.3","129.9","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 N4 O12 Y2 -","- C44 H46 N4 O12 Y2 -","- C88 H92 N8 O24 Y4 -","2","0.5","","Demakov, Pavel A.; Ryadun, Alexey A.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Samsonenko, Denis G.; Brylev, Konstantin A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Intense multi-colored luminescence in a series of rare-earth metal-organic frameworks with aliphatic linkers.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11899","11908","10.1039/d1dt00872b","","x-ray","0.71073","MoKα","","0.0389","0.0293","","","0.0599","0.0624","","","","","","1.048","","","","has coordinates","268806","2021-09-06","11:27:59",""
"7707997","10.334","0.004","17.831","0.003","12.753","0.0014","90","","98.75","0.05","90","","2322.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H49.5 N4.5 O12.5 Y2 -","- C49.4976 H49.4984 N4.4996 O12.5 Y2 -","- C98.9952 H98.9968 N8.9992 O25 Y4 -","2","0.5","","Demakov, Pavel A.; Ryadun, Alexey A.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Samsonenko, Denis G.; Brylev, Konstantin A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Intense multi-colored luminescence in a series of rare-earth metal-organic frameworks with aliphatic linkers.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11899","11908","10.1039/d1dt00872b","","","0.79272","synchrotron","","0.102","0.0642","","","0.1619","0.1806","","","","","","1.031","","","","has coordinates,has disorder","268806","2021-09-06","11:28:00",""
"7707998","10.411","0.002","17.893","0.003","12.831","0.002","90","","98.908","0.003","90","","2361.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H49.5 N4.5 O12.5 Tb2 -","- C49.4976 H49.4984 N4.4996 O12.5 Tb2 -","- C98.9952 H98.9968 N8.9992 O25 Tb4 -","2","0.5","","Demakov, Pavel A.; Ryadun, Alexey A.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Samsonenko, Denis G.; Brylev, Konstantin A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Intense multi-colored luminescence in a series of rare-earth metal-organic frameworks with aliphatic linkers.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11899","11908","10.1039/d1dt00872b","","","0.79475","synchrotron","","0.0703","0.0443","","","0.1051","0.1149","","","","","","1.031","","","","has coordinates,has disorder","268806","2021-09-06","11:28:00",""
"7707999","10.4023","0.0005","17.5671","0.0008","12.2985","0.0008","90","","103.709","0.006","90","","2183.4","0.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 N4 O12.5 Tb2 -","- C44 H46 N4 O12.5 Tb2 -","- C88 H92 N8 O25 Tb4 -","2","0.5","","Demakov, Pavel A.; Ryadun, Alexey A.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Samsonenko, Denis G.; Brylev, Konstantin A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Intense multi-colored luminescence in a series of rare-earth metal-organic frameworks with aliphatic linkers.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11899","11908","10.1039/d1dt00872b","","x-ray","0.71073","MoKα","","0.0315","0.0222","","","0.0433","0.0451","","","","","","1.017","","","","has coordinates","268806","2021-09-06","11:28:00",""
"7708000","10.4401","0.0003","17.6295","0.0005","12.306","0.0004","90","","103.832","0.003","90","","2199.28","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H46 Eu2 N4 O12 -","- C44 H46 Eu2 N4 O12 -","- C88 H92 Eu4 N8 O24 -","2","0.5","","Demakov, Pavel A.; Ryadun, Alexey A.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Samsonenko, Denis G.; Brylev, Konstantin A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Intense multi-colored luminescence in a series of rare-earth metal-organic frameworks with aliphatic linkers.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11899","11908","10.1039/d1dt00872b","","x-ray","0.71073","MoKα","","0.0387","0.0286","","","0.0432","0.0451","","","","","","1.031","","","","has coordinates","268806","2021-09-06","11:28:00",""
"7708001","10.423","0.01","17.902","0.009","12.892","0.007","90","","99.11","0.04","90","","2375","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H49.5 Eu2 N4.5 O12.5 -","- C49.4976 H49.4984 Eu2 N4.4996 O12.5 -","- C98.9952 H98.9968 Eu4 N8.9992 O25 -","2","0.5","","Demakov, Pavel A.; Ryadun, Alexey A.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Samsonenko, Denis G.; Brylev, Konstantin A.; Fedin, Vladimir P.; Dybtsev, Danil N.","Intense multi-colored luminescence in a series of rare-earth metal-organic frameworks with aliphatic linkers.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11899","11908","10.1039/d1dt00872b","","","0.79272","synchrotron","","0.0594","0.0514","","","0.1289","0.1374","","","","","","1.052","","","","has coordinates,has disorder","268806","2021-09-06","11:28:00",""
"7708002","11.2264","0.0002","11.5091","0.0003","35.7717","0.0008","90","","90","","90","","4621.91","0.18","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H33 Cl Cu N2 O2 -","- C24 H33 Cl Cu N2 O2 -","- C192 H264 Cl8 Cu8 N16 O16 -","8","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","0.71075","MoKα","K-L~3~","0.074","0.0508","","","0.0909","0.0978","","","","","","1.146","","","","has coordinates,has disorder","269735","2021-10-06","15:44:00",""
"7708003","15.1367","0.0003","12.127","0.0003","28.2251","0.0008","90","","95.326","0.002","90","","5158.7","0.2","100","0.3","100","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cu N2 O2 -","- C28 H38 Cu N2 O2 -","- C224 H304 Cu8 N16 O16 -","8","2","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54184","CuKα","","0.0986","0.0678","","","0.1787","0.2071","","","","","","1.031","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708004","12.0183","0.0009","14.9866","0.0016","20.1854","0.0014","104.492","0.008","103.593","0.006","102.304","0.008","3275.5","0.5","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C131 H158 Cu6 F18 N12 O23 -","- C131 H158 Cu6 F18 N12 O23 -","- C131 H158 Cu6 F18 N12 O23 -","1","0.5","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","","1.54184","CuKα","","0.1596","0.0892","","","0.2133","0.2543","","","","","","1.089","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708005","24.19436","0.00019","14.08347","0.00011","25.8393","0.0003","90","","96.7456","0.0008","90","","8743.55","0.14","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H122 Cu4 N8 O21 -","- C86 H122 Cu4 N8 O21 -","- C344 H488 Cu16 N32 O84 -","4","0.5","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54184","CuKα","","0.0714","0.0697","","","0.1919","0.1934","","","","","","1.092","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708006","7.6031","0.0004","16.8736","0.0006","18.7628","0.0008","90","","90","","90","","2407.11","0.18","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Cu N2 O2 -","- C24 H32 Cu N2 O2 -","- C96 H128 Cu4 N8 O8 -","4","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0915","0.0937","","","","","","1.032","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708007","25.4875","0.0006","14.8482","0.0003","8.4815","0.0002","90","","90","","90","","3209.77","0.13","100","0.1","100","0.1","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C17 H22 Cu N2 O4 -","- C17 H22 Cu N2 O4 -","- C136 H176 Cu8 N16 O32 -","8","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54178","CuKα","","0.0497","0.0476","","","0.1232","0.1246","","","","","","1.106","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708008","9.467","0.0005","10.0851","0.0007","13.729","0.0009","86.427","0.006","78.259","0.005","76.948","0.005","1250.02","0.14","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Cu N2 O2 -","- C28 H36 Cu N2 O2 -","- C56 H72 Cu2 N4 O4 -","2","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54184","CuKα","","0.0571","0.0441","","","0.1076","0.1182","","","","","","1.059","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708009","9.0899","0.0005","9.3275","0.0006","10.9768","0.0005","79.623","0.005","89.276","0.004","67.85","0.005","846.33","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cu2 F2 N4 O4 -","- C40 H46 Cu2 F2 N4 O4 -","- C40 H46 Cu2 F2 N4 O4 -","1","0.5","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54184","CuKα","","0.0933","0.0811","","","0.1877","0.1933","","","","","","1.061","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708010","13.3808","0.0005","20.5924","0.0008","17.6388","0.0006","90","","91.298","0.001","90","","4859","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H140 Cd5.6 Cl16 Cu4.4 N8 O39 -","- C44 H100 Cd5.6 Cl16 Cu4.4 N8 O24 -","- C88 H200 Cd11.2 Cl32 Cu8.8 N16 O48 -","2","0.5","","Iman, Khushboo; Raza, Md Kausar; Ansari, Mursaleem; Monika, ?; Ansari, Azaj; Ahmad, Musheer; Ahamad, M. Naqi; Qasem, Khalil M. A.; Hussain, Sameer; Akhtar, Muhammad Nadeem; Shahid, M.","Novel {Cu<sub>4</sub>} and {Cu<sub>4</sub>Cd<sub>6</sub>} clusters derived from flexible aminoalcohols: synthesis, characterization, crystal structures, and evaluation of anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11941","11953","10.1039/d1dt00324k","","","0.71073","MoKα","","0.0392","0.0304","","","0.0872","0.0939","","","","","","1.032","","","","has coordinates,has disorder","268815","2021-09-06","11:31:13",""
"7708011","16.1146","0.0012","16.1146","0.0012","44.024","0.005","90","","90","","90","","11432.2","1.8","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C56 H165 Cl4 Cu8 N8 O72 -","- C56 H165 Cl4 Cu8 N8 O72 -","- C224 H660 Cl16 Cu32 N32 O288 -","4","1","","Iman, Khushboo; Raza, Md Kausar; Ansari, Mursaleem; Monika, ?; Ansari, Azaj; Ahmad, Musheer; Ahamad, M. Naqi; Qasem, Khalil M. A.; Hussain, Sameer; Akhtar, Muhammad Nadeem; Shahid, M.","Novel {Cu<sub>4</sub>} and {Cu<sub>4</sub>Cd<sub>6</sub>} clusters derived from flexible aminoalcohols: synthesis, characterization, crystal structures, and evaluation of anticancer properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11941","11953","10.1039/d1dt00324k","","","0.71073","MoKα","","0.1077","0.0792","","","0.1741","0.1986","","","","","","1.074","","","","has coordinates","268815","2021-09-06","11:31:24",""
"7708012","12.2089","0.0006","14.1145","0.0007","13.2833","0.0007","90","","94.635","0.002","90","","2281.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Au N3 P -","- C26 H27 Au N3 P -","- C104 H108 Au4 N12 P4 -","4","1","","Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.","SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12681","12691","10.1039/d1dt02626g","","","0.71073","MoKα","","0.0503","0.042","","","0.0909","0.0941","","","","","","1.128","","","","has coordinates,has disorder","269717","2021-10-06","15:38:43",""
"7708013","13.7352","0.0009","11.7608","0.0007","19.1917","0.0013","90","","90","","90","","3100.2","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H27 N3 P2 Pt -","- C9 H27 N3 P2 Pt -","- C72 H216 N24 P16 Pt8 -","8","1","","Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.","SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12681","12691","10.1039/d1dt02626g","","","0.71073","MoKα","","0.0237","0.0219","","","0.0478","0.0485","","","","","","1.2","","","","has coordinates","269717","2021-10-06","15:38:53",""
"7708014","13.915","0.003","11.0476","0.0018","16.41","0.004","90","","96.897","0.006","90","","2504.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N5 O3 W -","- C26 H31 N5 O3 W -","- C104 H124 N20 O12 W4 -","4","1","","Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.","SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12681","12691","10.1039/d1dt02626g","","","0.71073","MoKα","","0.035","0.0292","","","0.057","0.0585","","","","","","1.208","","","","has coordinates,has disorder","269717","2021-10-06","15:38:55",""
"7708015","7.5376","0.0009","13.5921","0.0017","21.634","0.003","90","","98.856","0.004","90","","2190","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H39 N3 P2 Pt -","- C17 H39 N3 P2 Pt -","- C68 H156 N12 P8 Pt4 -","4","1","","Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.","SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12681","12691","10.1039/d1dt02626g","","","0.71073","MoKα","","0.0342","0.0294","","","0.0657","0.0679","","","","","","1.17","","","","has coordinates","269717","2021-10-06","15:38:55",""
"7708016","10.099","0.007","10.839","0.006","11.962","0.009","77.24","0.015","72.021","0.016","85.85","0.02","1214.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 N5 O3 Re -","- C21 H20 N5 O3 Re -","- C42 H40 N10 O6 Re2 -","2","1","","Shen, Yu-Hsuan; Esper, Alec M.; Ghiviriga, Ion; Abboud, Khalil A.; Schanze, Kirk S.; Ehm, Christian; Veige, Adam S.","SPAAC iClick: progress towards a bioorthogonal reaction in-corporating metal ions.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12681","12691","10.1039/d1dt02626g","","","0.71073","MoKα","","0.0328","0.0262","","","0.0578","0.0607","","","","","","1.088","","","","has coordinates,has disorder","269717","2021-10-06","15:38:55",""
"7708017","19.7115","0.001","26.1902","0.0012","20.0351","0.0011","90","","113.054","0.002","90","","9517","0.8","173","2","173.02","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H44 Cu3 N16 O13 -","- C21 H17 Cu3 N12.5 O5.5 -","- C168 H136 Cu24 N100 O44 -","8","1","","Xu, Tong; Li, Jiantang; Jia, Mingwei; Li, Guanghua; Liu, Yunling","Contiguous layer based metal-organic framework with conjugated π-electron ligand for high iodine capture.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13096","13102","10.1039/d1dt00947h","","","0.71073","MoKα","","0.0536","0.0474","","","0.1736","0.1778","","","","","","1.119","","","","has coordinates","269700","2021-10-06","15:29:30",""
"7708018","17.5725","0.0007","15.1574","0.0007","16.5994","0.0007","90","","106.422","0.0015","90","","4241","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","2CH3","","- C40 H49 Cl2 F3 N3 O3 S Sb -","- C40 H49 Cl2 F3 N3 O3 S Sb -","- C160 H196 Cl8 F12 N12 O12 S4 Sb4 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0352","0.0314","","","0.0859","0.0894","","","","","","1.054","","","","has coordinates,has disorder","268814","2021-09-06","11:30:54",""
"7708019","9.4978","0.0002","17.5189","0.0004","26.3589","0.0008","90","","90","","90","","4385.88","0.19","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","2Ph","","- C44 H47 Cl2 F3 N3 O3 S Sb -","- C44 H47 Cl2 F3 N3 O3 S Sb -","- C176 H188 Cl8 F12 N12 O12 S4 Sb4 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0429","0.0406","","","0.1042","0.1054","","","","","","1.132","","","","has coordinates,has disorder","268814","2021-09-06","11:30:54",""
"7708020","20.2985","0.0008","28.7063","0.0012","16.5024","0.0007","90","","90","","90","","9615.9","0.7","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","","2H","","- C72 H87 Cl4 F6 N6 O6 S2 Sb2 -","- C72 H87 Cl4 F6 N6 O6 S2 Sb2 -","- C288 H348 Cl16 F24 N24 O24 S8 Sb8 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0529","0.0451","","","0.1121","0.1157","","","","","","1.063","","","","has coordinates","268814","2021-09-06","11:30:54",""
"7708021","20.986","0.003","20.986","0.003","27.302","0.006","90","","90","","120","","10413","3","150","2","150","2","","","","","","","","7","P 6 c c","P 6 -2c","184","","","","- C48 H72 Cl2 Dy2 N2 O18 Ru2 -","- C48 H72 Cl2 Dy2 N2 O18 Ru2 -","- C288 H432 Cl12 Dy12 N12 O108 Ru12 -","6","0.5","","Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.","Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 ""butterfly"" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12265","12274","10.1039/d1dt01770e","","","0.71073","synchrotron","","0.0561","0.0502","","","0.1634","0.1719","","","","","","1.049","","","","has coordinates,has disorder","269729","2021-10-06","15:42:39",""
"7708022","15.536","0.003","16.01","0.003","12.208","0.002","90","","121.06","0.03","90","","2601.2","1.2","123","2","123","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C40 H36 Cl4 Dy2 F8 N4 O22 Ru2 -","- C40 H36 Cl4 Dy2 F8 N4 O22 Ru2 -","- C80 H72 Cl8 Dy4 F16 N8 O44 Ru4 -","2","0.25","","Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.","Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 ""butterfly"" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12265","12274","10.1039/d1dt01770e","","","0.71073","MoKα","","0.1288","0.1288","","","0.3014","0.3014","","","","","","1.207","","","","has coordinates,has disorder","269729","2021-10-06","15:42:39",""
"7708023","8.082","0.0016","17.209","0.003","17.212","0.003","90","","92.35","0.03","90","","2391.9","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Gd2 N4 O20 Ru2 -","- C40 H48 Gd2 N4 O20 Ru2 -","- C80 H96 Gd4 N8 O40 Ru4 -","2","0.5","","Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.","Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 ""butterfly"" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12265","12274","10.1039/d1dt01770e","","","0.71073","MoKα","","0.0338","0.0332","","","0.0803","0.0807","","","","","","1.087","","","","has coordinates","269729","2021-10-06","15:42:39",""
"7708024","10.367","0.002","11.169","0.002","11.256","0.002","67.16","0.03","73.88","0.03","83.77","0.03","1153.9","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H60 Dy2 N4 O20 Ru2 -","- C34 H60 Dy2 N4 O20 Ru2 -","- C34 H60 Dy2 N4 O20 Ru2 -","1","0.5","","Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.","Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 ""butterfly"" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12265","12274","10.1039/d1dt01770e","","","0.71073","synchrotron","","0.0269","0.0261","","","0.0641","0.0645","","","","","","1.066","","","","has coordinates","269729","2021-10-06","15:42:39",""
"7708025","10.343","0.002","11.205","0.002","11.25","0.002","67.17","0.03","74.35","0.03","84.09","0.03","1157.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H60 Gd2 N4 O20 Ru2 -","- C34 H60 Gd2 N4 O20 Ru2 -","- C34 H60 Gd2 N4 O20 Ru2 -","1","0.5","","Swain, Abinash; Martin, Robert; Vignesh, Kuduva R.; Rajaraman, Gopalan; Murray, Keith S.; Langley, Stuart K.","Enhancing the barrier height for magnetization reversal in 4d/4f RuIII2LnIII2 ""butterfly"" single molecule magnets (Ln = Gd, Dy) <i>via</i> targeted structural alterations.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12265","12274","10.1039/d1dt01770e","","","0.71073","synchrotron","","0.0268","0.0266","","","0.0635","0.0636","","","","","","1.086","","","","has coordinates","269729","2021-10-06","15:42:39",""
"7708026","7.5642","0.0005","9.5549","0.0006","28.5373","0.0019","90","","90","","90","","2062.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 B F2 N O -","- C26 H26 B F2 N O -","- C104 H104 B4 F8 N4 O4 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0669","0.0484","","","0.1078","0.1233","","","","","","1.035","","","","has coordinates","268040","2021-08-11","23:09:55",""
"7708027","9.9238","0.0006","12.6103","0.0008","16.1717","0.0011","90","","90","","90","","2023.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 B F2 N O -","- C25 H24 B F2 N O -","- C100 H96 B4 F8 N4 O4 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0677","0.047","","","0.108","0.1238","","","","","","1.053","","","","has coordinates","268040","2021-08-11","23:09:57",""
"7708028","11.244","0.0008","11.5352","0.0006","15.7945","0.0011","90","","90","","90","","2048.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B F N O2 -","- C24 H29 B F N O2 -","- C96 H116 B4 F4 N4 O8 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0565","0.0446","","","0.0964","0.1043","","","","","","1.008","","","","has coordinates","268040","2021-08-11","23:09:59",""
"7708029","9.9193","0.0011","12.6175","0.0011","16.173","0.0015","90","","90","","90","","2024.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 B F2 N O -","- C25 H24 B F2 N O -","- C100 H96 B4 F8 N4 O4 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0784","0.0524","","","0.113","0.131","","","","","","1.027","","","","has coordinates","268040","2021-08-11","23:10:01",""
"7708030","6.2509","0.0001","16.8667","0.0004","10.2467","0.0003","90","","102.191","0.001","90","","1055.97","0.04","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 Ag2 N6 O8 -","- C2 H8 Ag2 N6 O8 -","- C8 H32 Ag8 N24 O32 -","4","1","","Banti, Christina N.; Kapetana, Marianthi; Papachristodoulou, C.; Raptopoulou, Catherine; Psycharis, Vassilis; Zoumpoulakis, Panagiotis; Mavromoustakos, Thomas; Hadjikakou, Sotiris K.","Hydrogels containing water soluble conjugates of silver(I) ions with amino acids, metabolites or natural products for non infectious contact lenses","Dalton Transactions","2021","","","","","10.1039/D1DT02158C","","","0.71073","MoKα","","0.0231","0.0212","","","0.0469","0.0475","","","","","","1.102","","","","has coordinates","268041","2021-08-11","23:10:33",""
"7708031","12.436","0.003","9.889","0.002","8.9564","0.0019","90","","90","","90","","1101.5","0.4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba3 Se5 Si -","- Ba3 Se5 Si -","- Ba12 Se20 Si4 -","4","0.5","","Cheng, Huanhuan; Tudi, Abudukadi; Wang, Peng; Zhang, Kewang; Yang, Zhihua; Pan, Shilie","Design and synthesis of Ba<sub>3</sub>SiSe<sub>5</sub> with suitable birefringence modulated via M<sup>IV</sup> atoms in the Ba-M<sup>IV</sup>-Q (M<sup>IV</sup> = Si, Ge; Q = S, Se) system.","Dalton transactions (Cambridge, England : 2003)","2021","50","34","11999","12005","10.1039/d1dt01747k","","","0.71073","MoKα","","0.044","0.0375","","","0.089","0.0924","","","","","","1.087","","","","has coordinates","268809","2021-09-06","11:29:22",""
"7708032","6.5934","0.0001","17.2561","0.0004","19.7432","0.0004","109.413","0.002","91.241","0.002","95.635","0.002","2104.83","0.08","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H5 O10 P S W2 -","- C16 H5 O10 P S W2 -","- C64 H20 O40 P4 S4 W8 -","4","2","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0245","0.022","","","0.0486","0.0499","","","","","","1.005","","","","has coordinates","269725","2021-10-06","15:41:43",""
"7708033","6.9782","0.0001","16.3547","0.0002","18.6493","0.0003","90","","99.533","0.002","90","","2098.98","0.05","123","0.14","123","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H5 As O10 S W2 -","- C16 H5 As O10 S W2 -","- C64 H20 As4 O40 S4 W8 -","4","1","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0184","0.0163","","","0.0352","0.036","","","","","","1.053","","","","has coordinates","269725","2021-10-06","15:41:45",""
"7708034","9.619","0.0001","15.3701","0.0002","18.5803","0.0003","66.543","0.001","78.316","0.001","72.375","0.001","2391.11","0.06","123","0.14","123","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 O20 P2 Se2 W4 -","- C38 H22 O20 P2 Se2 W4 -","- C76 H44 O40 P4 Se4 W8 -","2","1","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.0837","0.0842","","","","","","1.224","","","","has coordinates","269725","2021-10-06","15:41:50",""
"7708035","18.3332","0.0005","7.206","0.0002","17.1601","0.0005","90","","102.976","0.004","90","","2209.11","0.11","123","0.14","123","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H10 O8 Se2 W2 -","- C20 H10 O8 Se2 W2 -","- C80 H40 O32 Se8 W8 -","4","0.5","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0392","0.0351","","","0.0978","0.1019","","","","","","1.054","","","","has coordinates","269725","2021-10-06","15:41:50",""
"7708036","9.7509","0.0002","15.2808","0.0005","18.6934","0.0007","66.459","0.003","78.315","0.002","72.751","0.002","2427.41","0.14","123.2","0.4","123.2","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 As2 O20 Se2 W4 -","- C38 H22 As2 O20 Se2 W4 -","- C76 H44 As4 O40 Se4 W8 -","2","1","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0384","0.0366","","","0.0924","0.0935","","","","","","1.193","","","","has coordinates","269725","2021-10-06","15:41:50",""
"7708037","16.5396","0.0012","18.58","0.0003","28.924","0.002","90","","145.249","0.017","90","","5067","2","123","","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O5 Te2 W -","- C23 H22 O5 Te2 W -","- C184 H176 O40 Te16 W8 -","8","2","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0337","0.0296","","","0.0756","0.0776","","","","","","1.097","","","","has coordinates","269725","2021-10-06","15:41:50",""
"7708038","7.0151","0.0001","16.446","0.0002","18.4907","0.0002","90","","99.74","0.001","90","","2102.53","0.05","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H5 O10 P Se W2 -","- C16 H5 O10 P Se W2 -","- C64 H20 O40 P4 Se4 W8 -","4","1","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","1.54184","CuKα","","0.0299","0.0281","","","0.0736","0.075","","","","","","1.088","","","","has coordinates","269725","2021-10-06","15:41:50",""
"7708039","9.9217","0.0002","12.1683","0.0002","13.7521","0.0002","90","","102.838","0.002","90","","1618.79","0.05","123","0.14","123","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O10 Te2 W2 -","- C28 H22 O10 Te2 W2 -","- C56 H44 O20 Te4 W4 -","2","0.5","","Rummel, Lena; Lassandro, Giuliano; Seidl, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Reactivity of the pentelidene complexes [Cp*E{W(CO)<sub>5</sub>}<sub>2</sub>] (E = P, As) towards dichalcogenides and chalcogenols - synthesis of novel chalcogenopentelidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12648","12654","10.1039/d1dt01866c","","x-ray","0.71073","MoKα","","0.0192","0.0175","","","0.0367","0.0374","","","","","","1.071","","","","has coordinates","269725","2021-10-06","15:41:50",""
"7708040","10.621","0.005","11.518","0.006","14.354","0.008","83.66","0.02","86.09","0.03","75","0.02","1684.3","1.5","386","2","386","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl6 Fe N10 O4 S2 -","- C22 H29 Cl6 Fe N10 O4 S2 -","- C44 H58 Cl12 Fe2 N20 O8 S4 -","2","1","","Shao, Jia; Zhang, Qiang; Wei, Jing; Yuchi, Zhiguang; Cao, Peng; Li, Shao-Qing; Wang, Shan; Xu, Jing-Yuan; Yang, Shuang; Zhang, Yi; Wei, Jinxia; Tian, Jin-Lei","Synthesis, crystal structures, anticancer activities and molecular docking studies of novel thiazolidinone Cu(II) and Fe(III) complexes targeting lysosomes: special emphasis on their binding to DNA/BSA","Dalton Transactions","2021","","","","","10.1039/D1DT02180J","","","0.71073","MoKα","","0.072","0.0496","","","0.1395","0.1482","","","","","","0.995","","","","has coordinates","268072","2021-08-13","22:57:20",""
"7708041","7.8","0.0016","11.885","0.002","15.9","0.003","75.57","0.03","80.72","0.03","78.17","0.03","1387.7","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cl2 Cu N10 O3 S2 -","- C20 H24 Cl2 Cu N10 O3 S2 -","- C40 H48 Cl4 Cu2 N20 O6 S4 -","2","1","","Shao, Jia; Zhang, Qiang; Wei, Jing; Yuchi, Zhiguang; Cao, Peng; Li, Shao-Qing; Wang, Shan; Xu, Jing-Yuan; Yang, Shuang; Zhang, Yi; Wei, Jinxia; Tian, Jin-Lei","Synthesis, crystal structures, anticancer activities and molecular docking studies of novel thiazolidinone Cu(II) and Fe(III) complexes targeting lysosomes: special emphasis on their binding to DNA/BSA","Dalton Transactions","2021","","","","","10.1039/D1DT02180J","","","0.71073","MoKα","","0.137","0.0865","","","0.2038","0.2371","","","","","","0.949","","","","has coordinates","268072","2021-08-13","22:57:21",""
"7708042","12.7679","0.0004","28.7777","0.0008","21.0706","0.0006","90","","93.528","0.001","90","","7727.3","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H118 Mg2 N4 O2 P2 -","- C68 H102 Mg2 N4 O2 P2 -","- C272 H408 Mg8 N16 O8 P8 -","4","1","","Li, Min; Liu, Xinli; Cui, Dongmei","Catalytic hydroboration of carbonyl derivatives by using phosphinimino amide ligated magnesium complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13037","13041","10.1039/d1dt00143d","","","0.71073","MoKα","","0.0679","0.045","","","0.1017","0.1144","","","","","","1.008","","","","has coordinates","269699","2021-10-06","15:29:21",""
"7708043","12.225","0.0009","13.9726","0.001","15.8078","0.0012","90","","91.136","0.005","90","","2699.7","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Al Li N3 -","- C32 H29 Al Li N3 -","- C128 H116 Al4 Li4 N12 -","4","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","1.54178","CuKα","","0.1138","0.0562","","","0.1172","0.1415","","","","","","1.021","","","","has coordinates","268083","2021-08-14","22:56:12",""
"7708044","13.273","0.0003","17.3309","0.0005","20.3751","0.0004","90","","90.3302","0.0013","90","","4686.87","0.19","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H55 Al Br0.38 Cl0.62 Li2 N3 O3 -","- C48 H55 Al Br0.378 Cl0.622 Li2 N3 O3 -","- C192 H220 Al4 Br1.512 Cl2.488 Li8 N12 O12 -","4","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","0.71073","MoKα","","0.0947","0.0819","","","0.2305","0.245","","","","","","1.034","","","","has coordinates,has disorder","268083","2021-08-14","22:56:14",""
"7708045","10.9054","0.0004","15.1908","0.0006","14.5647","0.0005","90","","99.935","0.002","90","","2376.63","0.15","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Al Li N2 O2 -","- C22 H34 Al Li N2 O2 -","- C88 H136 Al4 Li4 N8 O8 -","4","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","1.54178","CuKα","","0.0581","0.0486","","","0.1336","0.144","","","","","","1.071","","","","has coordinates","268083","2021-08-14","22:56:14",""
"7708046","10.8075","0.0002","13.5483","0.0003","16.8949","0.0004","88.7384","0.001","80.4185","0.0011","70.985","0.0009","2304.81","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H58 Al2 Li2 N4 O3 -","- C52 H58 Al2 Li2 N4 O3 -","- C104 H116 Al4 Li4 N8 O6 -","2","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","0.71073","MoKα","","0.0924","0.0555","","","0.1217","0.14","","","","","","1.018","","","","has coordinates","268083","2021-08-14","22:56:14",""
"7708047","9.8424","0.0003","10.1963","0.0003","13.682","0.0005","76.7685","0.001","81.8527","0.0011","89.3717","0.001","1322.8","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H34 Al Li N2 O -","- C29.5 H34 Al Li N2 O -","- C59 H68 Al2 Li2 N4 O2 -","2","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","0.71073","MoKα","","0.0957","0.0582","","","0.1442","0.1604","","","","","","1.034","","","","has coordinates,has disorder","268083","2021-08-14","22:56:14",""
"7708048","21.0518","0.0006","21.3454","0.0006","16.3309","0.0005","90","","90","","90","","7338.4","0.4","180","2","180","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C81 H86 Al2 Br Li3 N6 O4 -","- C77.5 H82 Al2 Br Li3 N6 O4 -","- C310 H328 Al8 Br4 Li12 N24 O16 -","4","1","","Waters, Jessica E.; Hanf, Schirin; Rincón-Nocito, Marina; Bond, Andrew David; García-Rodríguez, Raúl; Wright, Dominic S.; Colebatch, Annie Louise","Synthesis and Coordination Behaviour of Aluminate-based Quinolyl Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02438H","","","1.54178","CuKα","","0.0848","0.0682","","","0.1855","0.2003","","","","","","1.041","","","","has coordinates","268083","2021-08-14","22:56:14",""
"7708049","9.588","0.0013","18.991","0.003","21.486","0.003","90","","96.693","0.005","90","","3885.6","1","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Br4 Cu2 N4 O8 -","- C38 H36 Br4 Cu2 N4 O8 -","- C152 H144 Br16 Cu8 N16 O32 -","4","0.5","","Das, Debasis; Mukherjee, Somali; Hansda, Sili; Nandi, Sudeshna; Acharya, Krishnendu; Chakraborty, Tonmoy; Samanta, Debabrata","Azide-mediated unusual in situ transformation of Mannich base to Schiff-Mannich base and isolation of their Cu(II) complexes: crystal structure, theoretical inspection and anticancer activities","Dalton Transactions","2021","","","","","10.1039/D1DT01740C","","","0.71073","MoKα","","0.1332","0.0569","","","0.1233","0.1555","","","","","","0.994","","","","has coordinates","268095","2021-08-16","23:03:07",""
"7708050","11.1007","0.001","18.4273","0.0016","18.8427","0.0017","90","","90.913","0.003","90","","3853.9","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 Br2 Cl2 Cu2 N2 O17.5 -","- C28 H41 Br2 Cl2 Cu2 N2 O17.5 -","- C112 H164 Br8 Cl8 Cu8 N8 O70 -","4","1","","Das, Debasis; Mukherjee, Somali; Hansda, Sili; Nandi, Sudeshna; Acharya, Krishnendu; Chakraborty, Tonmoy; Samanta, Debabrata","Azide-mediated unusual in situ transformation of Mannich base to Schiff-Mannich base and isolation of their Cu(II) complexes: crystal structure, theoretical inspection and anticancer activities","Dalton Transactions","2021","","","","","10.1039/D1DT01740C","","","0.71073","MoKα","","0.128","0.0598","","","0.1266","0.1546","","","","","","1.017","","","","has coordinates,has disorder","268095","2021-08-16","23:03:08",""
"7708051","11.562","0.002","13.893","0.003","22.308","0.004","90","","100.092","0.003","90","","3527.9","1.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H86 Cl12 Dy2 N4 O10 -","- C56 H62 Dy2 N4 O10 -","- C112 H124 Dy4 N8 O20 -","2","0.5","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Yang, Feng-Lei; Gao, Feng","Successive syntheses and magnetic properties of homodinuclear lanthanide macrocyclic complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01514A","","","0.71073","MoKα","","0.0514","0.0376","","","0.1049","0.1118","","","","","","0.991","","","","has coordinates","268096","2021-08-16","23:04:46",""
"7708052","11.7901","0.0012","11.8744","0.0012","14.1378","0.0014","69.11","0.001","87.396","0.001","85.657","0.001","1843.5","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H69 Cl8 Gd2 N9 O6 -","- C76 H58 Cl4 Gd2 N8 O6 -","- C76 H58 Cl4 Gd2 N8 O6 -","1","0.5","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Yang, Feng-Lei; Gao, Feng","Successive syntheses and magnetic properties of homodinuclear lanthanide macrocyclic complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01514A","","","0.71073","MoKα","","0.0443","0.0372","","","0.0993","0.1041","","","","","","1.032","","","","has coordinates","268096","2021-08-16","23:04:46",""
"7708053","11.5727","0.0013","13.8912","0.0016","22.363","0.003","90","","100.093","0.001","90","","3539.4","0.7","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 Cl14 N4 O10 Tb2 -","- C56 H62 N4 O10 Tb2 -","- C112 H124 N8 O20 Tb4 -","2","0.5","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Yang, Feng-Lei; Gao, Feng","Successive syntheses and magnetic properties of homodinuclear lanthanide macrocyclic complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01514A","","","0.71073","MoKα","","0.0582","0.0396","","","0.1038","0.1117","","","","","","1.002","","","","has coordinates,has disorder","268096","2021-08-16","23:04:46",""
"7708054","11.7936","0.0009","11.8409","0.0009","14.1346","0.001","68.876","0.001","87.528","0.001","85.827","0.001","1836","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H70 Cl10 N8 O6 Tb2 -","- C76 H58 Cl4 N8 O6 Tb2 -","- C76 H58 Cl4 N8 O6 Tb2 -","1","0.5","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Yang, Feng-Lei; Gao, Feng","Successive syntheses and magnetic properties of homodinuclear lanthanide macrocyclic complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01514A","","","0.71073","MoKα","","0.0363","0.0321","","","0.0856","0.0882","","","","","","1.071","","","","has coordinates","268096","2021-08-16","23:04:46",""
"7708055","11.7802","0.0018","11.802","0.0018","14.118","0.002","87.584","0.002","68.807","0.002","85.819","0.002","1824.9","0.5","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H70 Cl10 Dy2 N8 O6 -","- C76 H58 Cl4 Dy2 N8 O6 -","- C76 H58 Cl4 Dy2 N8 O6 -","1","0.5","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Yang, Feng-Lei; Gao, Feng","Successive syntheses and magnetic properties of homodinuclear lanthanide macrocyclic complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01514A","","","0.71073","MoKα","","0.0365","0.0323","","","0.088","0.091","","","","","","1.035","","","","has coordinates","268096","2021-08-16","23:04:46",""
"7708056","11.4965","0.0007","13.5371","0.0009","22.3892","0.0014","90","","100.762","0.003","90","","3423.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H74 Cl6 Gd2 N4 O10 -","- C56 H62 Gd2 N4 O10 -","- C112 H124 Gd4 N8 O20 -","2","0.5","","Li, Xiang; Liu, Yu-Han; Zhu, Guang-Zhou; Yang, Feng-Lei; Gao, Feng","Successive syntheses and magnetic properties of homodinuclear lanthanide macrocyclic complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01514A","","","1.34139","GaKα","","0.0372","0.0338","","","0.0942","0.0963","","","","","","1.082","","","","has coordinates","268096","2021-08-16","23:04:47",""
"7708057","12.292","0.005","19.974","0.009","12.365","0.006","90","","110.669","0.018","90","","2840","2","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H66 Cl4 Fe2 N6 O9 -","- C54 H66 Cl4 Fe2 N6 O9 -","- C108 H132 Cl8 Fe4 N12 O18 -","2","0.5","","Moreira, Felipe Figueirôa; Portes, Juliana de Araujo; Barros Azeredo, Nathália Florência; Fernandes, Christiane; Horn, Jr, Adolfo; Santiago, Cristina Pinheiro; Segat, Bruna Barriquel; Caramori, Giovanni Finoto; Madureira, Letícia Maria Pequeno; Candela, Dalber Ruben Sanchez; Marques, Marcelo Monteiro; Lamounier Camargos Resende, Jackson Antônio; de Souza, Wanderley; DaMatta, Renato Augusto; Seabra, Sergio Henrique","Development of new dinuclear Fe(III) coordination compounds with <i>in vitro</i> nanomolar antitrypanosomal activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12242","12264","10.1039/d1dt01048d","","","0.71073","MoKα","","0.0711","0.0457","","","0.1003","0.1106","","","","","","1.08","","","","has coordinates","269732","2021-10-06","15:43:13",""
"7708058","7.5612","0.0006","12.5681","0.001","13.8362","0.0011","90","","100.036","0.003","90","","1294.73","0.18","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 O2 S2 Zn -","- C14 H10 O2 S2 Zn -","- C56 H40 O8 S8 Zn4 -","4","0.5","","DeLaney, Christopher; Sheng, Yan; Pectol, D. Chase; Vantansever, Erol; Zhang, Hanyuan; Bhuvanesh, Nattamai; Salas, Isaiah; Liu, Wenshe R.; Fierke, Carol F.; Darensbourg, Marcetta Y.","Zinc thiotropolone combinations as inhibitors of the SARS-CoV-2 main protease.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12226","12233","10.1039/d1dt02499j","","","0.71073","MoKα","","0.0534","0.0499","","","0.1337","0.1378","","","","","","1.192","","","","has coordinates","269734","2021-10-06","15:43:42",""
"7708059","12.4113","0.0008","10.4092","0.0007","15.6036","0.001","90","","108.298","0.002","90","","1913.9","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O2 S2 Zn -","- C20 H22 O2 S2 Zn -","- C80 H88 O8 S8 Zn4 -","4","1","","DeLaney, Christopher; Sheng, Yan; Pectol, D. Chase; Vantansever, Erol; Zhang, Hanyuan; Bhuvanesh, Nattamai; Salas, Isaiah; Liu, Wenshe R.; Fierke, Carol F.; Darensbourg, Marcetta Y.","Zinc thiotropolone combinations as inhibitors of the SARS-CoV-2 main protease.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12226","12233","10.1039/d1dt02499j","","","0.71073","MoKα","","0.0406","0.0327","","","0.0762","0.0808","","","","","","1.055","","","","has coordinates","269734","2021-10-06","15:43:42",""
"7708060","10.0339","0.0008","10.0431","0.0006","15.9941","0.0012","81.015","0.006","76.374","0.007","60.358","0.007","1359.9","0.2","220","0.4","220","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Al Li N3 O -","- C21 H25 Al Li N3 O -","- C42 H50 Al2 Li2 N6 O2 -","2","1","","García-Romero, Álvaro; Martín-Álvarez, Jose M; Colebatch, Annie L.; Plajer, Alex J.; Miguel, Daniel; Álvarez, Celedonio M; García-Rodríguez, Raúl","Synthesis of tris(3-pyridyl)aluminate ligand and its unexpected stability against hydrolysis: revealing cooperativity effects in heterobimetallic pyridyl aluminates.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13059","13065","10.1039/d1dt02351a","","x-ray","1.54184","CuKα","","0.0847","0.0709","","","0.2208","0.2392","","","","","","1.05","","","","has coordinates,has disorder","269707","2021-10-06","15:32:49",""
"7708061","13.1963","0.0004","29.4703","0.001","13.9338","0.0004","90","","97.028","0.001","90","","5378.1","0.3","120","2","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H56 Ag O Os P3 -","- C65 H56 Ag O Os P3 -","- C260 H224 Ag4 O4 Os4 P12 -","4","1","","Zhou, Haiyu; Bai, Tongtong; Pan, Yanlin; Wei, Yongliang; Wang, Tongdao","Facile synthesis of air-stable heterobimetallic osmium-silver hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12093","12097","10.1039/d1dt02619d","","x-ray","0.71073","MoKα","","0.0449","0.0379","","","0.0947","0.1004","","","","","","1.05","","","","has coordinates,has disorder","269737","2021-10-06","15:44:49",""
"7708062","21.1275","0.0009","19.3012","0.0009","28.9253","0.0014","90","","90","","90","","11795.3","0.9","200.15","","200.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H60 Ag O Os P3 Si -","- C68 H60 Ag O Os P3 Si -","- C544 H480 Ag8 O8 Os8 P24 Si8 -","8","1","","Zhou, Haiyu; Bai, Tongtong; Pan, Yanlin; Wei, Yongliang; Wang, Tongdao","Facile synthesis of air-stable heterobimetallic osmium-silver hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12093","12097","10.1039/d1dt02619d","","x-ray","0.71073","MoKα","","0.1003","0.0466","","","0.0847","0.0959","","","","","","0.965","","","","has coordinates","269737","2021-10-06","15:44:49",""
"7708063","11.4188","0.0004","12.673","0.0004","16.9821","0.0005","88.005","0.002","89.737","0.003","71.8","0.003","2333.08","0.14","173","2","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C34 H41 Ce N13 O20 Ru -","- C32 H38 Ce N12 O20 Ru -","- C64 H76 Ce2 N24 O40 Ru2 -","2","1","","Liu, Yingying; Ng, Siu-Mui; Yiu, Shek-Man; Lau, Tai-Chu","Catalytic water oxidation by an <i>in situ</i> generated ruthenium nitrosyl complex bearing a bipyridine-bis(alkoxide) ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12316","12323","10.1039/d1dt01918j","","","1.54178","CuKα","","0.0387","0.0378","","","0.1041","0.1051","","","","","","1.075","","","","has coordinates","269728","2021-10-06","15:42:17",""
"7708064","10.5197","0.0004","11.3197","0.0005","15.7798","0.0006","86.519","0.003","80.554","0.003","74.566","0.003","1786.45","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H37 F12 N5 O5 P2 Ru -","- C28 H37 F12 N5 O5 P2 Ru -","- C56 H74 F24 N10 O10 P4 Ru2 -","2","1","","Liu, Yingying; Ng, Siu-Mui; Yiu, Shek-Man; Lau, Tai-Chu","Catalytic water oxidation by an <i>in situ</i> generated ruthenium nitrosyl complex bearing a bipyridine-bis(alkoxide) ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12316","12323","10.1039/d1dt01918j","","","1.54178","CuKα","","0.0761","0.0738","","","0.1901","0.1915","","","","","","1.15","","","","has coordinates","269728","2021-10-06","15:42:18",""
"7708065","9.4178","0.0006","11.1107","0.0008","14.0254","0.0006","79.931","0.004","79.001","0.004","68.307","0.006","1329.82","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cl Ir N2 -","- C34 H32 Cl Ir N2 -","- C68 H64 Cl2 Ir2 N4 -","2","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako","Five-Coordinate Iridium(III) Complex with ΔΛ Chirality","Dalton Transactions","2021","","","","","10.1039/D1DT01960K","","x-ray","1.54184","CuKα","","0.0324","0.0294","","","0.0721","0.0739","","","","","","1.072","","","","has coordinates","268110","2021-08-17","23:03:40",""
"7708066","15.3729","0.0004","16.0231","0.0003","17.1143","0.0004","90","","104.488","0.003","90","","4081.56","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48.31 Cl Ir N4 O2 -","- C48 H48.31 Cl Ir N4 O2 -","- C192 H193.24 Cl4 Ir4 N16 O8 -","4","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako","Five-Coordinate Iridium(III) Complex with ΔΛ Chirality","Dalton Transactions","2021","","","","","10.1039/D1DT01960K","","x-ray","0.71073","MoKα","","0.0617","0.0439","","","0.0758","0.0797","","","","","","1.096","","","","has coordinates,has disorder","268110","2021-08-17","23:03:41",""
"7708067","9.3674","0.0004","11.2876","0.0005","17.3082","0.0006","99.175","0.003","100.384","0.003","113.623","0.004","1593.84","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl Ir N2 O2 -","- C38 H44 Cl Ir N2 O2 -","- C76 H88 Cl2 Ir2 N4 O4 -","2","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako","Five-Coordinate Iridium(III) Complex with ΔΛ Chirality","Dalton Transactions","2021","","","","","10.1039/D1DT01960K","","x-ray","0.71073","MoKα","","0.0488","0.0394","","","0.0698","0.0724","","","","","","1.048","","","","has coordinates","268110","2021-08-17","23:03:41",""
"7708068","26.0164","0.0006","26.0164","0.0006","23.1213","0.0004","90","","90","","120","","13553.1","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C35 H32 Cl Ir N2 O -","- C35 H32 Cl Ir N2 O -","- C630 H576 Cl18 Ir18 N36 O18 -","18","1","","Takimoto, Kazuyoshi; Watanabe, Yutaka; Yoshida, Jun; Sato, Hisako","Five-Coordinate Iridium(III) Complex with ΔΛ Chirality","Dalton Transactions","2021","","","","","10.1039/D1DT01960K","","","0.71073","MoKα","","0.0642","0.0507","","","0.1022","0.1076","","","","","","1.074","","","","has coordinates,has disorder","268110","2021-08-17","23:03:41",""
"7708069","14.299","0.004","16.58","0.005","17.771","0.005","90","","90","","90","","4213","2","380","","380","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cl4 In N -","- C12 H28 Cl4 In N -","- C96 H224 Cl32 In8 N8 -","8","1","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.2182","0.0611","","","0.1339","0.197","","","","","","0.941","","","","has coordinates,has disorder","268111","2021-08-17","23:04:45",""
"7708070","14.264","0.019","8.874","0.012","19.71","0.03","90","","109.673","0.018","90","","2349","6","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 Br5 In N2 O -","- C16 H26 Br5 In N2 O -","- C64 H104 Br20 In4 N8 O4 -","4","1","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.0608","0.0333","","","0.0624","0.071","","","","","","1.005","","","","has coordinates","268111","2021-08-17","23:04:45",""
"7708071","10.912","0.008","8.556","0.007","14.164","0.011","90","","110.91","0.014","90","","1235.3","1.7","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H24 Br5 In N2 O -","- C16 H26 Br5 In N2 O -","- C32 H52 Br10 In2 N4 O2 -","2","0.5","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.1548","0.0921","","","0.2229","0.2602","","","","","","1.009","","","","has coordinates,has disorder","268111","2021-08-17","23:04:46",""
"7708072","13.6589","0.001","16.4433","0.0012","17.4222","0.0012","90","","90","","90","","3913","0.5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H28 Cl4 In N -","- C12 H28 Cl4 In N -","- C96 H224 Cl32 In8 N8 -","8","1","","Zhang, Yin-Qiang; Xu, Guan-Cheng; Li, Min","Two In-based organic‒inorganic hybrid compounds with reversible phase transition derived from the order‒disorder changes of cations or anions","Dalton Transactions","2021","","","","","10.1039/D1DT01935J","","","0.71073","MoKα","","0.0386","0.0294","","","0.0678","0.0736","","","","","","1.05","","","","has coordinates","268111","2021-08-17","23:04:46",""
"7708073","7.314","0.0007","15.8817","0.0012","7.2618","0.0009","90","","104.291","0.011","90","","817.42","0.15","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H5 F5 N Sb -","- C5 H5 F5 N Sb -","- C20 H20 F20 N4 Sb4 -","4","0.5","","Davydova, Elena I.; Virovets, Alexander Viktorovich; Presypkina, Eugenia V.; Pomogaeva, Anna Vladimirovna; Lisovenko, Anna S.; Timoshkin, Alexey Y.","Unusual molecular complexes of antimony fluoride dimers with Acetonitrile and Pyridine: structures and bonding","Dalton Transactions","2021","","","","","10.1039/D1DT02412D","","x-ray","1.54184","CuKα","","0.0343","0.0329","","","0.0816","0.0821","","","","","","1.037","","","","has coordinates","268112","2021-08-17","23:05:47",""
"7708074","9.87611","0.00018","8.40553","0.00015","24.6121","0.0004","90","","90","","90","","2043.15","0.06","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H6 F7 N Sb2 -","- C5 H6 F7 N Sb2 -","- C40 H48 F56 N8 Sb16 -","8","1","","Davydova, Elena I.; Virovets, Alexander Viktorovich; Presypkina, Eugenia V.; Pomogaeva, Anna Vladimirovna; Lisovenko, Anna S.; Timoshkin, Alexey Y.","Unusual molecular complexes of antimony fluoride dimers with Acetonitrile and Pyridine: structures and bonding","Dalton Transactions","2021","","","","","10.1039/D1DT02412D","","","1.54178","CuKα","","0.0323","0.0246","","","0.0542","0.0557","","","","","","0.927","","","","has coordinates","268112","2021-08-17","23:05:47",""
"7708075","7.7664","0.0005","8.2163","0.0004","8.6861","0.0005","90.605","0.004","114.993","0.006","91.614","0.004","502.01","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H3 F10 N Sb2 -","- C2 H3 F10 N Sb2 -","- C4 H6 F20 N2 Sb4 -","2","1","","Davydova, Elena I.; Virovets, Alexander Viktorovich; Presypkina, Eugenia V.; Pomogaeva, Anna Vladimirovna; Lisovenko, Anna S.; Timoshkin, Alexey Y.","Unusual molecular complexes of antimony fluoride dimers with Acetonitrile and Pyridine: structures and bonding","Dalton Transactions","2021","","","","","10.1039/D1DT02412D","","x-ray","1.54184","CuKα","","0.0854","0.0772","","","0.2062","0.2117","","","","","","1.008","","","","has coordinates","268112","2021-08-17","23:05:47",""
"7708076","11.702","0.0003","5.64449","0.00017","14.5489","0.0005","90","","101.913","0.003","90","","940.28","0.05","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F12 N2 Sb4 -","- C10 H10 F12 N2 Sb4 -","- C20 H20 F24 N4 Sb8 -","2","0.5","","Davydova, Elena I.; Virovets, Alexander Viktorovich; Presypkina, Eugenia V.; Pomogaeva, Anna Vladimirovna; Lisovenko, Anna S.; Timoshkin, Alexey Y.","Unusual molecular complexes of antimony fluoride dimers with Acetonitrile and Pyridine: structures and bonding","Dalton Transactions","2021","","","","","10.1039/D1DT02412D","","x-ray","1.54178","CuKα","","0.0606","0.0541","","","0.1344","0.1378","","","","","","1.012","","","","has coordinates","268112","2021-08-17","23:05:48",""
"7708077","14.73","0.003","14.73","","17.616","0.005","90","","90","","120","","3310.1","1.2","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","Poly{[hexa(mu3-3-amino-4-hydroxybenzoate-k2O,O':kO'':k2N,O''')tri(mu3-hydroxide-kO:kO':kO'')tri(dimethylformamide-kO)pentayttrium(III)]pentahydrate}","","- C51 H56 N9 O25 Y5 -","- C51 H54 N9 O24 Y5 -","- C102 H108 N18 O48 Y10 -","2","0.166667","","Echenique-Errandonea, Estitxu; Pérez, Juana M.; Rojas, Sara; Cepeda, Javier; Seco, José M.; Fernández, Ignacio; Rodríguez-Diéguez, Antonio","A novel yttrium-based metal‒organic framework for the efficient solvent-free catalytic synthesis of cyanohydrin silyl ethers","Dalton Transactions","2021","50","34","11720","11724","10.1039/D1DT01953H","","","0.71073","MoKα","","0.0754","0.0399","","","0.1005","0.1151","","","","","","1.053","","","","has coordinates,has disorder","268805","2021-09-06","11:27:30",""
"7708078","8.6403","0.0005","18.2643","0.0012","17.8656","0.0012","90","","91.179","0.002","90","","2818.8","0.3","296","","296","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl Dy F2 N4 O2 -","- C30 H30 Cl Dy F2 N4 O2 -","- C120 H120 Cl4 Dy4 F8 N16 O8 -","4","1","","Zhu, Li; Dong, Yubao; Yin, Bing; Ma, Pengtao; Li, Dongfeng","Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy<sup>3+</sup> compounds by the introduction of both electron-withdrawing and -donating groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12607","12618","10.1039/d1dt00964h","","","0.71073","MoKα","","0.0524","0.0358","","","0.0684","0.0748","","","","","","1.097","","","","has coordinates","269727","2021-10-06","15:42:09",""
"7708079","8.6179","0.0013","18.254","0.003","17.868","0.003","90","","91.093","0.002","90","","2810.3","0.8","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl F2 N4 O2 Y -","- C30 H30 Cl F2 N4 O2 Y -","- C120 H120 Cl4 F8 N16 O8 Y4 -","4","1","","Zhu, Li; Dong, Yubao; Yin, Bing; Ma, Pengtao; Li, Dongfeng","Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy<sup>3+</sup> compounds by the introduction of both electron-withdrawing and -donating groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12607","12618","10.1039/d1dt00964h","","","0.71073","MoKα","","0.0437","0.0306","","","0.0774","0.0827","","","","","","1.02","","","","has coordinates","269727","2021-10-06","15:42:10",""
"7708080","8.6384","0.0003","18.2435","0.0007","17.9368","0.0006","90","","91.32","0.001","90","","2825.99","0.17","296.25","","296.25","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Br Dy F2 N4 O2 -","- C30 H30 Br Dy F2 N4 O2 -","- C120 H120 Br4 Dy4 F8 N16 O8 -","4","1","","Zhu, Li; Dong, Yubao; Yin, Bing; Ma, Pengtao; Li, Dongfeng","Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy<sup>3+</sup> compounds by the introduction of both electron-withdrawing and -donating groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12607","12618","10.1039/d1dt00964h","","","0.71073","MoKα","","0.0702","0.0442","","","0.0904","0.1006","","","","","","1.067","","","","has coordinates","269727","2021-10-06","15:42:10",""
"7708081","8.623","0.006","18.225","0.013","17.923","0.013","90","","89.931","0.002","90","","2817","3","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Br F2 N4 O2 Y -","- C30 H30 Br F2 N4 O2 Y -","- C120 H120 Br4 F8 N16 O8 Y4 -","4","1","","Zhu, Li; Dong, Yubao; Yin, Bing; Ma, Pengtao; Li, Dongfeng","Improving the single-molecule magnet properties of two pentagonal bipyramidal Dy<sup>3+</sup> compounds by the introduction of both electron-withdrawing and -donating groups.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12607","12618","10.1039/d1dt00964h","","","0.71073","MoKα","","0.1716","0.1062","","","0.2197","0.2635","","","","","","1.012","","","","has coordinates","269727","2021-10-06","15:42:10",""
"7708082","15.7319","0.0006","46.3383","0.0014","6.1947","0.0002","90","","90","","90","","4515.9","0.3","250","","250","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C24 H20 Cu F2 N2 O5 -","- C24 H20 Cu F2 N2 O5 -","- C192 H160 Cu8 F16 N16 O40 -","8","0.5","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.0423","0.0395","","","0.1022","0.1077","","","","","","0.95","","","","has coordinates","268130","2021-08-18","22:58:46",""
"7708083","16.0191","0.0007","6.1375","0.0003","23.929","0.0011","90","","92.11","0.003","90","","2351.04","0.19","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cu F4 N2 O5 -","- C24 H18 Cu F4 N2 O5 -","- C96 H72 Cu4 F16 N8 O20 -","4","0.5","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.0599","0.048","","","0.1279","0.1378","","","","","","1.006","","","","has coordinates","268130","2021-08-18","22:58:47",""
"7708084","6.09453","0.00012","46.205","0.001","23.6195","0.0005","90","","97.3809","0.0012","90","","6596.1","0.2","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H20 Cu F2 N2 O5 -","- C24 H20 Cu F2 N2 O5 -","- C288 H240 Cu12 F24 N24 O60 -","12","3","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.0636","0.05","","","0.1191","0.1286","","","","","","0.977","","","","has coordinates","268130","2021-08-18","22:58:47",""
"7708085","49.8786","0.0015","6.11641","0.00018","40.4687","0.0014","90","","109.524","0.002","90","","11636.2","0.7","240","","240","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C120 H90 Cu5 F20 N10 O25 -","- C118 H90 Cu5 F22 N10 O25 -","- C472 H360 Cu20 F88 N40 O100 -","4","0.5","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.1455","0.0702","","","0.1484","0.1658","","","","","","0.934","","","","has coordinates,has disorder","268130","2021-08-18","22:58:47",""
"7708086","15.864","0.0003","29.7886","0.0006","23.6221","0.0004","90","","92.232","0.001","90","","11154.5","0.4","160","","160","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cu F2 N2 O5 -","- C24 H19 Cu F2 N2 O5 -","- C480 H380 Cu20 F40 N40 O100 -","20","2.5","","Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02118D","","","1.54187","CuKα","","0.1951","0.1481","","","0.2804","0.2981","","","","","","1.05","","","","has coordinates,has disorder","268130","2021-08-18","22:58:47",""
"7708087","9.328","0.006","9.338","0.005","10.156","0.006","95.874","0.003","116.949","0.005","108.364","0.005","716.3","0.7","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H40 N8 -","- C32 H40 N8 -","- C32 H40 N8 -","1","0.5","","Habib, Ahsan Md.; Breedlove, Brian. K.; Goulven , Cosquer Goulven; Yamashita, Masahiro","Enhancement of the electrocatalytic abilities toward CO2 reduction by tethering redox-active metal complexes to the active site.","Dalton Transactions","2021","","","","","10.1039/D1DT02318G","","","0.710747","MoKα","","0.0617","0.0454","","","0.1083","0.1167","","","","","","1.046","","","","has coordinates","268131","2021-08-18","22:59:36",""
"7708088","7.7774","0.0008","25.294","0.003","16.4763","0.0017","90","","90","","90","","3241.2","0.6","298","2","298","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C36 H44 Cl2 N4 Ni -","- C36 H44 Cl2 N4 Ni -","- C144 H176 Cl8 N16 Ni4 -","4","0.5","","Habib, Ahsan Md.; Breedlove, Brian. K.; Goulven , Cosquer Goulven; Yamashita, Masahiro","Enhancement of the electrocatalytic abilities toward CO2 reduction by tethering redox-active metal complexes to the active site.","Dalton Transactions","2021","","","","","10.1039/D1DT02318G","","","0.71073","MoKα","","0.0714","0.053","","","0.1327","0.1428","","","","","","0.998","","","","has coordinates,has disorder","268131","2021-08-18","22:59:36",""
"7708089","12.75","0.002","18.005","0.003","16.951","0.003","90","","98.825","0.002","90","","3845.3","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H24 Eu F9 N2 O7 -","- C41 H24 Eu F9 N2 O7 -","- C164 H96 Eu4 F36 N8 O28 -","4","1","","Cantero-López, Plinio; Santoyo-Flores, Julian; Carreño, Alexander; Fuentes, Juan; Vega, Andres; Ramirez-Osorio, Angelica; Ortiz, Alejandro; Illicachi, Luis alberto; Olea, Andres; Sánchezc , Julio; Páez-Hernández, Dayán","Theoretical chemistry-handled strategy for the rational design of new luminescent lanthanide complexes: An approach from multireference SOC-NEVPT2 method","Dalton Transactions","2021","","","","","10.1039/D1DT02037D","","","0.71073","MoKα","","0.0521","0.0313","","","0.0584","0.0669","","","","","","1.014","","","","has coordinates,has disorder","268144","2021-08-19","22:57:56",""
"7708090","19.7922","0.0004","19.7922","0.0004","26.1324","0.0006","90","","90","","90","","10236.9","0.4","150","2","150","","","","","","","","","9","I -4","I -4","82","","","","- C6 H122 As4 K4 N4 Na9 O212 Ru3.2 W40 -","- C6 H6 As4 K4 N4 Na9 O158 Ru3.2 W40 -","- C12 H12 As8 K8 N8 Na18 O316 Ru6.4 W80 -","2","0.25","","Zou, Yan; Li, Huafeng; Zhao, Xue; Song, Junpeng; Wang, Yaqiong; Ma, Pengtao; Niu, Jingyang; Wang, Jingping","Ru(iii) -based polyoxometalate tetramers as highly efficient heterogeneous catalysts for alcohol oxidation reactions at room temperature","Dalton Transactions","2021","","","","","10.1039/D1DT01819A","","","0.71073","MoKα","","0.0441","0.0409","","","0.0946","0.0959","","","","","","1.079","","","","has coordinates","268145","2021-08-19","22:58:24",""
"7708091","12.5642","0.001","14.3473","0.0012","23.322","0.002","90","","100.111","0.002","90","","4138.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cl2 Ga N3 -","- C46 H58 Cl2 Ga N3 -","- C184 H232 Cl8 Ga4 N12 -","4","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.08","0.0553","","","0.1372","0.1574","","","","","","1.022","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708092","20.312","0.002","48.543","0.004","19.898","0.002","90","","90","","90","","19620","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C53 H66 Al I2 N3 -","- C53 H66 Al I2 N3 -","- C848 H1056 Al16 I32 N48 -","16","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.0567","0.045","","","0.1041","0.1115","","","","","","1.059","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708093","18.3541","0.0017","21.0425","0.0019","24.667","0.002","90","","108.628","0.004","90","","9027.7","1.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H116 Al2 I2 N6 -","- C92 H116 Al2 I2 N6 -","- C368 H464 Al8 I8 N24 -","4","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","1.34139","GaKα","","0.0549","0.0373","","","0.0789","0.0866","","","","","","1.005","","","","has coordinates","269724","2021-10-06","15:41:16",""
"7708094","12.4878","0.0007","11.683","0.0006","28.9149","0.0015","90","","99.338","0.002","90","","4162.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Ga0.6 K0.4 N3 -","- C46 H58 Ga0.61 K0.39 N3 -","- C184 H232 Ga2.44 K1.56 N12 -","4","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.1179","0.0716","","","0.1701","0.1876","","","","","","1.078","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708095","12.9201","0.0003","13.5764","0.0004","14.9197","0.0004","83.992","0.001","66.246","0.001","84.971","0.001","2379.2","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H58 Cr Ga N3 O5 -","- C51 H58 Cr Ga N3 O5 -","- C102 H116 Cr2 Ga2 N6 O10 -","2","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.0454","0.0363","","","0.0909","0.0951","","","","","","1.045","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708096","12.4884","0.0007","14.4969","0.0007","23.4665","0.0012","90","","99.594","0.002","90","","4189","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 Al N3 -","- C48 H64 Al N3 -","- C192 H256 Al4 N12 -","4","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.0806","0.0543","","","0.1299","0.1422","","","","","","1.049","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708097","46.899","0.002","15.2306","0.0008","33.5912","0.0017","90","","124.408","0.001","90","","19796","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H116 Ga2 N6 Se2 -","- C92 H116 Ga2 N6 Se2 -","- C736 H928 Ga16 N48 Se16 -","8","1","","Li, Hao; He, Yuhao; Liu, Chunmeng; Tan, Gengwen","A bis(imino)carbazolate pincer ligand stabilized mononuclear gallium(I) compound: synthesis, characterization, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12674","12680","10.1039/d1dt02209a","","","0.71073","MoKα","","0.0727","0.0458","","","0.1144","0.1302","","","","","","0.996","","","","has coordinates,has disorder","269724","2021-10-06","15:41:16",""
"7708098","15.2725","0.00018","16.9735","0.0002","10.05404","0.00013","90","","95.3475","0.0011","90","","2594.94","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Gd N5 O15 V -","- C19 H22 Gd N5 O15 V -","- C76 H88 Gd4 N20 O60 V4 -","4","1","","Kotrle, Kamil; Nemec, Ivan; Moncol, Jan; Cizmar, Erik; Herchel, Radovan","3d-4f magnetic exchange interactions and anisotropy in a series of heterobimetallic vanadium(IV)-lanthanide(III) Schiff base complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01944A","","","1.54184","CuKα","","0.0666","0.0611","","","0.1637","0.167","","","","","","1.041","","","","has coordinates,has disorder","268173","2021-08-23","22:58:37",""
"7708099","15.7195","0.0003","16.4891","0.0003","10.05652","0.00018","90","","93.3123","0.0016","90","","2602.3","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Er N5 O15 V -","- C19 H22 Er N5 O15 V -","- C76 H88 Er4 N20 O60 V4 -","4","1","","Kotrle, Kamil; Nemec, Ivan; Moncol, Jan; Cizmar, Erik; Herchel, Radovan","3d-4f magnetic exchange interactions and anisotropy in a series of heterobimetallic vanadium(IV)-lanthanide(III) Schiff base complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01944A","","","1.54184","CuKα","","0.044","0.0417","","","0.1082","0.1096","","","","","","1.093","","","","has coordinates,has disorder","268173","2021-08-23","22:58:38",""
"7708100","15.30291","0.00019","16.9273","0.0002","10.05128","0.00012","90","","95.0619","0.0012","90","","2593.5","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N5 O15 Tb V -","- C19 H22 N5 O15 Tb V -","- C76 H88 N20 O60 Tb4 V4 -","4","1","","Kotrle, Kamil; Nemec, Ivan; Moncol, Jan; Cizmar, Erik; Herchel, Radovan","3d-4f magnetic exchange interactions and anisotropy in a series of heterobimetallic vanadium(IV)-lanthanide(III) Schiff base complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01944A","","","1.54184","CuKα","","0.0381","0.0359","","","0.0942","0.0958","","","","","","1.027","","","","has coordinates,has disorder","268173","2021-08-23","22:58:38",""
"7708101","15.0536","0.0003","16.8695","0.0003","9.948","0.0002","90","","96.371","0.001","90","","2510.66","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Dy N5 O15 V -","- C19 H22 Dy N5 O15 V -","- C76 H88 Dy4 N20 O60 V4 -","4","1","","Kotrle, Kamil; Nemec, Ivan; Moncol, Jan; Cizmar, Erik; Herchel, Radovan","3d-4f magnetic exchange interactions and anisotropy in a series of heterobimetallic vanadium(IV)-lanthanide(III) Schiff base complexes","Dalton Transactions","2021","","","","","10.1039/D1DT01944A","","","0.56083","AgKα","","0.0237","0.0214","","","0.0553","0.056","","","","","","1.044","","","","has coordinates,has disorder","268173","2021-08-23","22:58:38",""
"7708102","11.8536","0.0003","29.5795","0.0007","14.4519","0.0003","90","","98.703","0.002","90","","5008.8","0.2","98","2","98","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 B Br2 Cl4 F4 Ir N6 -","- C54 H38 B Br2 Cl3.9998 F4 Ir N6 -","- C216 H152 B4 Br8 Cl15.9992 F16 Ir4 N24 -","4","1","","Ohyama, Ryo; Mishima, Masaki; Inagaki, Akiko","Syntheses and structure of dinuclear metal complexes containing naphthyl-Ir bichromophore.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12716","12722","10.1039/d1dt01853a","","","0.71073","MoKα","","0.0495","0.0469","","","0.1263","0.1274","","","","","","1.113","","","","has coordinates","269726","2021-10-06","15:42:00",""
"7708103","8.6584","0.0002","18.3753","0.0004","12.2711","0.0003","90","","109.481","0.002","90","","1840.57","0.08","103","2","103","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C39.88 H33.75 Au Cl1.75 I O P2 -","- C39.874 H33.748 Au Cl1.748 I O P2 -","- C79.748 H67.496 Au2 Cl3.496 I2 O2 P4 -","2","0.5","","Deak, Andrea; Jobbágy, Csaba; Demeter, Attila; Čelko, Ladislav; Cihlář, Jaroslav; Szabó, Pál Tamás; Abranyi-Balogh, Peter; Crawford, Deborah E.; Virieux, David; Colacino, Evelina","Mechanochemical synthesis of mononuclear gold(I) halide complexes of diphosphine ligands with tuneable luminescent properties","Dalton Transactions","2021","","","","","10.1039/D1DT01751A","","","0.71075","MoKα","","0.0332","0.0328","","","0.0834","0.0837","","","","","","1.064","","","","has coordinates,has disorder","268175","2021-08-23","23:00:04",""
"7708104","9.1868","0.0003","21.0096","0.0006","18.6435","0.0006","90","","95.516","0.001","90","","3581.74","0.19","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Au Cl2 I O P2 -","- C40 H34 Au Cl2 I O P2 -","- C160 H136 Au4 Cl8 I4 O4 P8 -","4","1","","Deak, Andrea; Jobbágy, Csaba; Demeter, Attila; Čelko, Ladislav; Cihlář, Jaroslav; Szabó, Pál Tamás; Abranyi-Balogh, Peter; Crawford, Deborah E.; Virieux, David; Colacino, Evelina","Mechanochemical synthesis of mononuclear gold(I) halide complexes of diphosphine ligands with tuneable luminescent properties","Dalton Transactions","2021","","","","","10.1039/D1DT01751A","","","0.71075","MoKα","","0.0343","0.0331","","","0.08","0.0808","","","","","","1.211","","","","has coordinates","268175","2021-08-23","23:00:05",""
"7708105","7.5794","0.0004","23.5293","0.0013","15.5801","0.0008","90","","98.977","0.001","90","","2744.5","0.3","102","2","102.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H40 Co N10 O8 S2 -","- C70 H40 Co N10 O8 S2 -","- C140 H80 Co2 N20 O16 S4 -","2","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0607","0.047","","","0.1015","0.1067","","","","","","1.096","","","","has coordinates","269708","2021-10-06","15:33:15",""
"7708106","7.5858","0.0008","23.454","0.003","15.5656","0.0017","90","","98.707","0.004","90","","2737.5","0.5","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H40 N10 Ni O8 S2 -","- C70 H40 N10 Ni O8 S2 -","- C140 H80 N20 Ni2 O16 S4 -","2","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","x-ray","0.71073","MoKα","","0.1173","0.0528","","","0.1174","0.1578","","","","","","1.082","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708107","15.3777","0.0007","24.898","0.001","10.2613","0.0004","90","","120.781","0.001","90","","3375.3","0.2","101","2","100.85","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C82 H50 N12 Ni O12 S2 -","- C82 H50 N12 Ni O12 S2 -","- C164 H100 N24 Ni2 O24 S4 -","2","0.25","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0499","0.0401","","","0.0942","0.0998","","","","","","1.025","","","","has coordinates,has disorder","269708","2021-10-06","15:33:16",""
"7708108","10.2636","0.0004","24.8917","0.001","13.4739","0.0006","90","","100.149","0.002","90","","3388.4","0.2","104","2","104.31","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 N12 Ni O12 S2 -","- C82 H50 N12 Ni O12 S2 -","- C164 H100 N24 Ni2 O24 S4 -","2","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.088","0.0531","","","0.1106","0.123","","","","","","1.022","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708109","8.8308","0.0003","13.9574","0.0005","15.7081","0.0005","111.871","0.001","97.215","0.001","93.746","0.001","1769.26","0.1","150","2","149.98","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H60 N10 Ni O8 S2 -","- C86 H60 N10 Ni O8 S2 -","- C86 H60 N10 Ni O8 S2 -","1","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","1.54178","CuKα","","0.0421","0.0389","","","0.1008","0.1052","","","","","","1.029","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708110","15.4952","0.0006","24.9826","0.0014","10.2664","0.0004","90","","120.937","0.001","90","","3408.8","0.3","102","2","101.81","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C82 H50 Co N12 O12 S2 -","- C82 H50 Co N12 O12 S2 -","- C164 H100 Co2 N24 O24 S4 -","2","0.25","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0408","0.0338","","","0.084","0.0883","","","","","","1.024","","","","has coordinates,has disorder","269708","2021-10-06","15:33:16",""
"7708111","7.5777","0.0007","23.58","0.002","15.5948","0.0015","90","","98.786","0.003","90","","2753.8","0.4","101","2","101","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H40 Co N10 O8 S2 -","- C70 H40 Co N10 O8 S2 -","- C140 H80 Co2 N20 O16 S4 -","2","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0655","0.0529","","","0.1594","0.1729","","","","","","1.361","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708112","15.6955","0.0007","24.9967","0.0011","10.1659","0.0004","90","","120.538","0.001","90","","3435.2","0.3","102","2","101.96","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C82 H50 Cl4 Co N10 O8 S2 -","- C82 H50 Cl4 Co N10 O8 S2 -","- C164 H100 Cl8 Co2 N20 O16 S4 -","2","0.25","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0465","0.0397","","","0.0931","0.0982","","","","","","1.032","","","","has coordinates,has disorder","269708","2021-10-06","15:33:16",""
"7708113","10.2691","0.0001","24.9873","0.0003","13.5439","0.0002","90","","99.633","0.001","90","","3426.32","0.07","150","2","150.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 Co N12 O12 S2 -","- C82 H50 Co N12 O12 S2 -","- C164 H100 Co2 N24 O24 S4 -","2","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","1.54178","CuKα","","0.0487","0.0453","","","0.1343","0.1379","","","","","","1.07","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708114","15.6422","0.0016","24.988","0.003","10.2512","0.0011","90","","121.211","0.002","90","","3426.9","0.7","110","2","110.64","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C82 H50 Co N12 O12 S2 -","- C82 H50 Co N12 O12 S2 -","- C164 H100 Co2 N24 O24 S4 -","2","0.25","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0861","0.0597","","","0.1155","0.1365","","","","","","1.119","","","","has coordinates,has disorder","269708","2021-10-06","15:33:16",""
"7708115","3.8466","0.0002","15.6309","0.0006","20.3882","0.0008","90","","90","","90","","1225.86","0.09","106","2","105.82","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0308","0.0295","","","0.0771","0.0779","","","","","","1.086","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708116","8.98","0.0002","13.9351","0.0003","15.8237","0.0003","110.534","0.001","97.701","0.001","93.612","0.001","1824.64","0.07","300","2","299.99","","","","","","","","","6","P -1","-P 1","2","","","","- C86 H60 Co N10 O8 S2 -","- C86 H60 Co N10 O8 S2 -","- C86 H60 Co N10 O8 S2 -","1","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0532","0.0419","","","0.0969","0.1024","","","","","","1.016","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708117","7.7256","0.001","23.64","0.003","15.7191","0.0019","90","","99.87","0.004","90","","2828.3","0.6","298","2","298.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H40 Co N10 O8 S2 -","- C70 H40 Co N10 O8 S2 -","- C140 H80 Co2 N20 O16 S4 -","2","0.5","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0707","0.0514","","","0.1151","0.1253","","","","","","1.106","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708118","10.0036","0.0009","13.2565","0.0012","15.0972","0.0013","94.4823","0.0014","92.9268","0.0014","96.3788","0.0014","1980","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H50 Mo O5 Sn -","- C41 H50 Mo O5 Sn -","- C82 H100 Mo2 O10 Sn2 -","2","1","","Zhu, Qihao; Fettinger, James C.; Power, Philip P.","Hydrostannylation of carbon dioxide by a hydridostannylene molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12555","12562","10.1039/d1dt02473f","","","0.71073","MoKα","","0.0368","0.0313","","","0.0794","0.0817","","","","","","1.045","","","","has coordinates,has disorder","269719","2021-10-06","15:39:21",""
"7708119","14.7682","0.0005","10.7848","0.0004","23.6781","0.001","90","","95.01","0.001","90","","3756.9","0.2","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Mo O6 Sn -","- C39 H46 Mo O6 Sn -","- C156 H184 Mo4 O24 Sn4 -","4","1","","Zhu, Qihao; Fettinger, James C.; Power, Philip P.","Hydrostannylation of carbon dioxide by a hydridostannylene molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12555","12562","10.1039/d1dt02473f","","","0.71073","MoKα","","0.0702","0.0417","","","0.0829","0.0954","","","","","","1.018","","","","has coordinates,has disorder","269719","2021-10-06","15:39:21",""
"7708120","8.6205","0.0006","18.6744","0.0013","12.8381","0.0009","90","","90.8178","0.001","90","","2066.5","0.2","90","2","90.15","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C42 H50 Mo O7 Sn -","- C42 H50 Mo O7 Sn -","- C84 H100 Mo2 O14 Sn2 -","2","0.5","","Zhu, Qihao; Fettinger, James C.; Power, Philip P.","Hydrostannylation of carbon dioxide by a hydridostannylene molybdenum complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12555","12562","10.1039/d1dt02473f","","","0.71073","MoKα","","0.0313","0.0248","","","0.0607","0.0643","","","","","","1.078","","","","has coordinates","269719","2021-10-06","15:39:21",""
"7708121","14.024","0.008","15.531","0.009","15.765","0.009","82","0.007","86.997","0.007","66.851","0.007","3127","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H98 Eu8 N14 O54 -","- C84 H72 Eu8 N14 O46 -","- C84 H72 Eu8 N14 O46 -","1","0.5","","Li, Jianian; Li, Ningfang; Wang, Jilei; Liu, Xiaomei; Ping, Qingdong; Zang, Tingting; Mei, Hua; Xu, Yan","A New Family of Boat-Shaped Ln8 Clusters Exhibiting Magnetocaloric Effect and Slow Magnetic Relaxation","Dalton Transactions","2021","","","","","10.1039/D1DT02390J","","","0.71073","MoKα","","0.0499","0.0383","","","0.0968","0.1021","","","","","","1.012","","","","has coordinates","268190","2021-08-24","23:01:51",""
"7708122","13.915","0.004","15.484","0.004","15.682","0.005","81.864","0.003","86.932","0.003","67.514","0.003","3090.5","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H104 Gd8 N14 O57 -","- C84 H76 Gd8 N14 O49.5 -","- C84 H76 Gd8 N14 O49.5 -","1","0.5","","Li, Jianian; Li, Ningfang; Wang, Jilei; Liu, Xiaomei; Ping, Qingdong; Zang, Tingting; Mei, Hua; Xu, Yan","A New Family of Boat-Shaped Ln8 Clusters Exhibiting Magnetocaloric Effect and Slow Magnetic Relaxation","Dalton Transactions","2021","","","","","10.1039/D1DT02390J","","","0.71073","MoKα","","0.0909","0.0559","","","0.1335","0.1454","","","","","","1.008","","","","has coordinates","268190","2021-08-24","23:01:52",""
"7708123","13.935","0.002","15.442","0.002","15.646","0.002","81.782","0.002","87.515","0.002","67.463","0.002","3077.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H98 Dy8 N14 O54 -","- C84 H76 Dy8 N14 O48 -","- C84 H76 Dy8 N14 O48 -","1","0.5","","Li, Jianian; Li, Ningfang; Wang, Jilei; Liu, Xiaomei; Ping, Qingdong; Zang, Tingting; Mei, Hua; Xu, Yan","A New Family of Boat-Shaped Ln8 Clusters Exhibiting Magnetocaloric Effect and Slow Magnetic Relaxation","Dalton Transactions","2021","","","","","10.1039/D1DT02390J","","","0.71073","MoKα","","0.0722","0.0523","","","0.138","0.1454","","","","","","1.024","","","","has coordinates","268190","2021-08-24","23:01:52",""
"7708124","10.9839","0.0004","12.3595","0.0005","12.5141","0.0005","115.69","0.002","108.072","0.002","100.254","0.002","1355.13","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu(L1)Cl](ClO4)(MeOH)0.5","","","- C43 H64 Cl4 Cu2 N12 O9 -","- C43 H64 Cl4 Cu2 N12 O9 -","- C43 H64 Cl4 Cu2 N12 O9 -","1","0.5","","Massoud, Salah S.; Louka, Febee R.; Dial, Madison T.; Malek, Andrew J.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Malina, Tomáš; Dvořák, Zdeněk; Trávníček, Zdeněk","Identification of potent anticancer copper(II) complexes containing tripodal bis[2-ethyl-di(3,5-dialkyl-1<i>H</i>-pyrazol-1-yl)]amine moiety.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11521","11534","10.1039/d1dt01724a","","","0.71073","MoKα","","0.0708","0.0544","","","0.1435","0.1509","","","","","","1.136","","","","has coordinates,has disorder","268191","2021-08-24","23:03:03",""
"7708125","20.3521","0.0009","20.4978","0.0009","15.1917","0.0007","90","","104.876","0.002","90","","6125.2","0.5","100","2","99.98","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(L2)Cl]ClO4","","","- C22 H32 Cl2 Cu N6 O6 -","- C22 H32 Cl2 Cu N6 O6 -","- C176 H256 Cl16 Cu8 N48 O48 -","8","1","","Massoud, Salah S.; Louka, Febee R.; Dial, Madison T.; Malek, Andrew J.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Malina, Tomáš; Dvořák, Zdeněk; Trávníček, Zdeněk","Identification of potent anticancer copper(II) complexes containing tripodal bis[2-ethyl-di(3,5-dialkyl-1<i>H</i>-pyrazol-1-yl)]amine moiety.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11521","11534","10.1039/d1dt01724a","","x-ray","0.71073","MoKα","","0.0662","0.0515","","","0.1283","0.1386","","","","","","1.062","","","","has coordinates,has disorder","268191","2021-08-24","23:03:03",""
"7708126","10.575","0.0006","12.4521","0.0007","13.0589","0.0008","69.599","0.003","68.263","0.003","71.979","0.003","1464.7","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(L5)Cl](PF6)","","","- C25 H33 Cl Cu F6 N7 P -","- C25 H33 Cl Cu F6 N7 P -","- C50 H66 Cl2 Cu2 F12 N14 P2 -","2","1","","Massoud, Salah S.; Louka, Febee R.; Dial, Madison T.; Malek, Andrew J.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Malina, Tomáš; Dvořák, Zdeněk; Trávníček, Zdeněk","Identification of potent anticancer copper(II) complexes containing tripodal bis[2-ethyl-di(3,5-dialkyl-1<i>H</i>-pyrazol-1-yl)]amine moiety.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11521","11534","10.1039/d1dt01724a","","","0.71073","MoKα","","0.049","0.0373","","","0.0825","0.0875","","","","","","1.036","","","","has coordinates","268191","2021-08-24","23:03:04",""
"7708127","21.6076","0.0007","12.1524","0.0004","19.2083","0.0006","90","","102.879","0.002","90","","4916.9","0.3","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu(L4)Cl]ClO4","","","- C20 H31 Cl2 Cu N7 O4 -","- C20 H31 Cl2 Cu N7 O4 -","- C160 H248 Cl16 Cu8 N56 O32 -","8","1","","Massoud, Salah S.; Louka, Febee R.; Dial, Madison T.; Malek, Andrew J.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Malina, Tomáš; Dvořák, Zdeněk; Trávníček, Zdeněk","Identification of potent anticancer copper(II) complexes containing tripodal bis[2-ethyl-di(3,5-dialkyl-1<i>H</i>-pyrazol-1-yl)]amine moiety.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11521","11534","10.1039/d1dt01724a","","x-ray","0.71073","MoKα","","0.0401","0.0308","","","0.07","0.0741","","","","","","1.059","","","","has coordinates,has disorder","268191","2021-08-24","23:03:04",""
"7708128","13.456","0.003","14.916","0.003","15.624","0.003","66.163","0.011","71.936","0.014","73.777","0.014","2683.9","1","193","","193","","","","","","","","","9","P -1","-P 1","2","","","","- C62 H92 Ag F30 N24 O2 P5 Pt6 S4 -","- C62 H84 Ag F30 N24 O2 P5 Pt6 S4 -","- C62 H84 Ag F30 N24 O2 P5 Pt6 S4 -","1","0.5","","Yabune, Natsuki; Nakajima, Hiroshi; Nishioka, Takanori","Electronic and steric impact of bis-NHC ligands on reactions of Pt<sub>3</sub>S<sub>2</sub> cores in trinuclear complexes bearing bis-NHC ligands with various lengths of alkylene bridges.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12079","12082","10.1039/d1dt02747f","","","0.71075","MoKα","","0.0798","0.058","","","0.1458","0.1609","","","","","","1.01","","","","has coordinates","269730","2021-10-06","15:42:49",""
"7708129","8.3437","0.0002","12.5387","0.0004","12.6785","0.0003","85.454","0.003","79.477","0.002","82.453","0.003","1290.73","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H28 Br F6 N4 Os P -","- C23 H28 Br F6 N4 Os P -","- C46 H56 Br2 F12 N8 Os2 P2 -","2","1","","Needham, Russell J.; Prokes, Ivan; Habtemariam, Abraha; Romero-Canelón, Isolda; Clarkson, Guy J.; Sadler, Peter J.","NMR studies of group 8 metallodrugs: <sup>187</sup>Os-enriched organo-osmium half-sandwich anticancer complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12970","12981","10.1039/d1dt02213j","","x-ray","0.71073","MoKα","","0.0348","0.0331","","","0.0832","0.0848","","","","","","1.069","","","","has coordinates","269712","2021-10-06","15:34:12",""
"7708130","8.569","0.0005","14.4339","0.0008","14.4711","0.0009","98.739","0.004","95.779","0.004","106.745","0.004","1674.2","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H64 Eu2 N2 O25 -","- C66 H64 Eu2 N2 O25 -","- C66 H64 Eu2 N2 O25 -","1","0.5","","Karmakar, Sanchita; Ghosh, Adrija; Prasad, Komal; Rahimi, Faruk Ahamed; Rambabu, Darsi; Haldar, Ritesh; Maji, Tapas Kumar","Multicolour lanthanide(III) porous 1D coordination polymers: tunable wide spectrum emission and efficient Cu<sup>II</sup> sensing.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13002","13011","10.1039/d1dt01860d","","","0.71073","MoKα","","0.1774","0.0794","","","0.1494","0.1922","","","","","","0.994","","","","has coordinates,has disorder","269710","2021-10-06","15:33:52",""
"7708131","7.3432","0.0017","17.294","0.004","17.914","0.004","90","","100.443","0.003","90","","2237.3","0.9","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(n6-p-tetramethylphenilendiamine)(n5-pentamethylcyclopentadienyl)ruthenium Hexafluorophosphate","","- C20 H31 F6 N2 P Ru -","- C20 H31 F6 N2 P Ru -","- C80 H124 F24 N8 P4 Ru4 -","4","1","","Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen","Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me<sub>2</sub>N)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13020","13030","10.1039/d1dt02155a","","","0.71073","MoKα","","0.0525","0.0417","","","0.1054","0.1135","","","","","","1.037","","","","has coordinates","269703","2021-10-06","15:31:45",""
"7708132","39.31","0.007","7.127","0.0013","16.505","0.003","90","","113.299","0.003","90","","4247","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 F6 N P Ru -","- C20 H30 F6 N P Ru -","- C160 H240 F48 N8 P8 Ru8 -","8","1","","Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen","Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me<sub>2</sub>N)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13020","13030","10.1039/d1dt02155a","","","0.71073","MoKα","","0.0688","0.0489","","","0.0997","0.1089","","","","","","0.967","","","","has coordinates","269703","2021-10-06","15:31:47",""
"7708133","14.2872","0.0004","8.62433","0.00019","15.3075","0.0004","90","","105.41","0.003","90","","1818.34","0.08","105","8","105","8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 N4 Ru2 -","- C40 H62 N4 Ru2 -","- C80 H124 N8 Ru4 -","2","0.5","","Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen","Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me<sub>2</sub>N)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13020","13030","10.1039/d1dt02155a","","x-ray","0.71073","MoKα","","0.0635","0.051","","","0.1462","0.1546","","","","","","1.0021","","","","has coordinates","269703","2021-10-06","15:31:47",""
"7708134","10.6226","0.0001","12.2061","0.0002","15.1648","0.0001","89.304","0.001","79.584","0.001","72.407","0.001","1841.53","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H62 N4 Ru2 -","- C40 H62 N4 Ru2 -","- C80 H124 N8 Ru4 -","2","1","","Longhi, Elena; Risko, Chad; Bacsa, John; Khrustalev, Victor; Rigin, Sergei; Moudgil, Karttikay; Timofeeva, Tatiana V.; Marder, Seth R.; Barlow, Stephen","Synthesis, structures, and reactivity of isomers of [RuCp*(1,4-(Me<sub>2</sub>N)<sub>2</sub>C<sub>6</sub>H<sub>4</sub>)]<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13020","13030","10.1039/d1dt02155a","","x-ray","0.71073","MoKα","","0.0312","0.0251","","","0.0567","0.0586","","","","","","1.0275","","","","has coordinates","269703","2021-10-06","15:31:47",""
"7708135","19.051","0.008","10.726","0.003","8.612","0.003","90","","90","","90","","1759.8","1.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B6 Ba1.25 O11 Pb0.75 -","- B6 Ba1.25 O11 Pb0.75 -","- B48 Ba10 O88 Pb6 -","8","1","","Liu, Kaitong; Han, Jian; Pan, Shilie","Ba<sub>2.5</sub>Pb<sub>1.5</sub>B<sub>12</sub>O<sub>22</sub>: structural transformation from a centrosymmetric to a noncentrosymmetric space group by introducing Pb into Ba<sub>2</sub>B<sub>6</sub>O<sub>11</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13031","13036","10.1039/d1dt01368h","","","0.71073","MoKα","","0.0238","0.0212","","","0.0527","0.0542","","","","","","1.075","","","","has coordinates,has disorder","269705","2021-10-06","15:32:22",""
"7708136","11.3655","0.0007","4.4847","0.0003","26.7643","0.0019","90","","99.607","0.006","90","","1345.07","0.16","173","2","173","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C28 H18 Br4 Co F2 N2 O2 -","- C28 H18 Br4 Co F2 N2 O2 -","- C56 H36 Br8 Co2 F4 N4 O4 -","2","0.5","","Chen, Yue; Yang, Qi; Peng, Guo; Zhang, Yi-Quan; Ren, Xiaoming","Influence of F-position and solvent on coordination geometry and single ion magnet behavior of Co(II) complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02148F","","","0.71073","MoKα","","0.0446","0.0293","","","0.0527","0.0556","","","","","","1.031","","","","has coordinates","268210","2021-08-25","22:57:13",""
"7708137","8.0772","0.0015","20.24","0.004","18.53","0.003","90","","90.889","0.002","90","","3029","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 Br4 Co F2 N3 O2 -","- C30 H21 Br4 Co F2 N3 O2 -","- C120 H84 Br16 Co4 F8 N12 O8 -","4","1","","Chen, Yue; Yang, Qi; Peng, Guo; Zhang, Yi-Quan; Ren, Xiaoming","Influence of F-position and solvent on coordination geometry and single ion magnet behavior of Co(II) complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02148F","","","0.71073","MoKα","","0.0814","0.0432","","","0.0818","0.0941","","","","","","0.956","","","","has coordinates,has disorder","268210","2021-08-25","22:57:13",""
"7708138","14.7016","0.0007","9.6101","0.0005","13.1023","0.0007","90","","133.621","0.001","90","","1340.08","0.12","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C28 H18 Br4 Co F2 N2 O2 -","- C28 H18 Br4 Co F2 N2 O2 -","- C56 H36 Br8 Co2 F4 N4 O4 -","2","0.5","","Chen, Yue; Yang, Qi; Peng, Guo; Zhang, Yi-Quan; Ren, Xiaoming","Influence of F-position and solvent on coordination geometry and single ion magnet behavior of Co(II) complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02148F","","","0.71073","MoKα","","0.0357","0.0287","","","0.0587","0.0619","","","","","","1.048","","","","has coordinates","268210","2021-08-25","22:57:13",""
"7708139","19.4553","0.0011","19.8342","0.0011","24.4381","0.001","66.283","0.004","85.356","0.004","63.55","0.005","7674.3","0.8","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H106 Co6 Cu6 N12 O53 -","- C108 H106 Co6 Cu6 N12 O53 -","- C216 H212 Co12 Cu12 N24 O106 -","2","1","","do Pim, Walace D.; Silva, Ingrid F.; da Silva Júnior, Eufrânio N; Stumpf, Humberto O.; Oliveira, Willian X. C.; Pedroso, Emerson F.; Pinheiro, Carlos B.; Journaux, Yves; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger; Engels, Bernd; Cano, Joan; Julve, Miguel; Pereira, Cynthia L. M.","Unexpected formation of a dodecanuclear {CoII6CuII6} nanowheel under ambient conditions: magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12430","12434","10.1039/d1dt02268g","","","1.54184","CuKα","","0.1574","0.112","","","0.2828","0.3152","","","","","","0.959","","","","has coordinates","269715","2021-10-06","15:37:30",""
"7708140","10.0339","0.0008","10.0431","0.0006","15.9941","0.0012","81.015","0.006","76.374","0.007","60.358","0.007","1359.9","0.2","220","0.4","220","0.4","","","","","","","","6","P -1","-P 1","2","","","","- C21 H25 Al Li N3 O -","- C21 H25 Al Li N3 O -","- C42 H50 Al2 Li2 N6 O2 -","2","1","","Ma, Yanan; Yang, Xiaoping; Hao, Wenxin; Zhu, Ting; Wang, Chengri; Schipper, Desmond","Ratiometric fluorescent detection of dipicolinic acid as an anthrax biomarker based on a high-nuclearity Yb18 nanoring","Dalton Transactions","2021","","","","","10.1039/D1DT01731D","","x-ray","1.54184","CuKα","","0.0847","0.0709","","","0.2208","0.2392","","","","","","1.05","","","","has coordinates,has disorder","268212","2021-08-25","22:58:33",""
"7708141","10.3417","0.0009","7.0909","0.0006","13.9107","0.0012","90","","102.76","0.008","90","","994.91","0.15","298","2","298","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C18 H26 N2 S2 Sn -","- C18 H26 N2 S2 Sn -","- C36 H52 N4 S4 Sn2 -","2","0.5","","Tyagi, Adish; Karmakar, Gourab; Mandal, B. P.; Dutta Pathak, Dipa; Wadawale, Amey; Kedarnath, G.; Srivastava, A. P.; Jain, Vimal K.","Di-<i>tert</i>-butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13073","13085","10.1039/d1dt01142a","","x-ray","0.71073","MoKα","","0.0251","0.0244","","","0.0558","0.0562","","","","","","1.021","","","","has coordinates,has disorder","269698","2021-10-06","15:29:06",""
"7708142","19.497","0.002","6.8221","0.0006","12.4255","0.0013","90","","90","","90","","1652.7","0.3","298","2","298","2","","","","","","","","6","P n a m","-P 2c 2n","62","","","","- C13 H22 Cl N S Sn -","- C13 H22 Cl N S Sn -","- C52 H88 Cl4 N4 S4 Sn4 -","4","0.5","","Tyagi, Adish; Karmakar, Gourab; Mandal, B. P.; Dutta Pathak, Dipa; Wadawale, Amey; Kedarnath, G.; Srivastava, A. P.; Jain, Vimal K.","Di-<i>tert</i>-butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13073","13085","10.1039/d1dt01142a","","x-ray","0.71073","MoKα","","0.0325","0.0253","","","0.0592","0.0631","","","","","","1.034","","","","has coordinates,has disorder","269698","2021-10-06","15:29:06",""
"7708143","11.6643","0.0007","13.7146","0.0008","11.8166","0.0007","90","","93.274","0.006","90","","1887.23","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 Cl N2 S Sn -","- C14 H25 Cl N2 S Sn -","- C56 H100 Cl4 N8 S4 Sn4 -","4","1","","Tyagi, Adish; Karmakar, Gourab; Mandal, B. P.; Dutta Pathak, Dipa; Wadawale, Amey; Kedarnath, G.; Srivastava, A. P.; Jain, Vimal K.","Di-<i>tert</i>-butyltin(IV) 2-pyridyl and 4,6-dimethyl-2-pyrimidyl thiolates: versatile single source precursors for the preparation of SnS nanoplatelets as anode material for lithium ion batteries.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13073","13085","10.1039/d1dt01142a","","x-ray","0.71073","MoKα","","0.0526","0.0343","","","0.0942","0.1034","","","","","","1.048","","","","has coordinates","269698","2021-10-06","15:29:06",""
"7708144","13.6771","0.0011","11.9568","0.0011","6.1214","0.0005","90","","90","","90","","1001.06","0.15","180","2","180","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C4 H4 N8 O7 -","- C4 H4 N8 O7 -","- C16 H16 N32 O28 -","4","1","","Liao, Sicheng; Liu, Tianlin; Zhou, Zhiyu; Wang, Kangcai; Song, Siwei; Zhang, Qinghua","Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02404C","","","0.71073","MoKα","","0.0704","0.0449","","","0.0965","0.1109","","","","","","1.07","","","","has coordinates,has disorder","268271","2021-08-27","23:07:32",""
"7708145","5.8001","0.0016","18.03","0.005","7.0255","0.0019","90","","92.537","0.009","90","","734","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N14 O6 -","- C6 H12 N14 O6 -","- C12 H24 N28 O12 -","2","0.5","","Liao, Sicheng; Liu, Tianlin; Zhou, Zhiyu; Wang, Kangcai; Song, Siwei; Zhang, Qinghua","Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02404C","","","0.71073","MoKα","","0.1223","0.0712","","","0.1777","0.2123","","","","","","1.086","","","","has coordinates,has disorder","268271","2021-08-27","23:07:34",""
"7708146","6.7783","0.0004","6.9837","0.0004","13.3471","0.0008","90","","95.397","0.002","90","","629.02","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 N10 O8 -","- C4 H12 N10 O8 -","- C8 H24 N20 O16 -","2","0.5","","Liao, Sicheng; Liu, Tianlin; Zhou, Zhiyu; Wang, Kangcai; Song, Siwei; Zhang, Qinghua","Energetic isomers of bridged oxadiazole nitramines: the effect of asymmetric heterocyclics on stability and energetic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02404C","","","0.71073","MoKα","","0.0602","0.0384","","","0.0762","0.0874","","","","","","1.129","","","","has coordinates,has disorder","268271","2021-08-27","23:07:34",""
"7708147","9.7884","0.0004","18.6328","0.0006","10.2715","0.0004","90","","90.9","0.003","90","","1873.14","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 F P -","- C24 H20 F P -","- C96 H80 F4 P4 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54178","CuKα","","0.0339","0.0312","","","0.0851","0.0866","","","","","","1.037","","","","has coordinates","269706","2021-10-06","15:32:39",""
"7708148","9.803","0.002","14.101","0.003","13.88","0.003","90","","102.94","0.03","90","","1869.9","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H44 La P Si Te -","- C42 H44 La P Si Te -","- C84 H88 La2 P2 Si2 Te2 -","2","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","0.71073","MoKα","","0.0156","0.0149","","","0.0342","0.0345","","","","","","1.052","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708149","10.62","0.002","35.75","0.007","17.32","0.003","90","","97.36","0.03","90","","6522","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H69 N3 O6 P4 -","- C78 H69 N3 O6 P4 -","- C312 H276 N12 O24 P16 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","0.71073","MoKα","","0.0544","0.0412","","","0.0905","0.0961","","","","","","1.093","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708150","17.6627","0.0003","15.3022","0.0003","18.0163","0.0004","90","","90","","90","","4869.41","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H29 P S Si -","- C27 H29 P S Si -","- C216 H232 P8 S8 Si8 -","8","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54178","CuKα","","0.0395","0.0357","","","0.1045","0.1064","","","","","","1.14","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708151","9.5283","0.0002","10.6121","0.0002","12.3821","0.0003","90","","90.136","0.002","90","","1252.02","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 P Si Te -","- C27 H29 P Si Te -","- C54 H58 P2 Si2 Te2 -","2","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54186","CuKα","","0.0438","0.0415","","","0.1103","0.1119","","","","","","1.062","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708152","10.511","0.002","9.071","0.002","26.773","0.005","90","","99.08","0.03","90","","2520.7","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 P Se Si -","- C27 H29 P Se Si -","- C108 H116 P4 Se4 Si4 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","0.71073","MoKα","","0.0345","0.0273","","","0.0588","0.0615","","","","","","1.032","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708153","7.9237","0.0002","11.4184","0.0004","12.7068","0.0004","103.005","0.002","98.958","0.002","96.125","0.002","1094.44","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H39 N7 O3 P2 -","- C14 H39 N7 O3 P2 -","- C28 H78 N14 O6 P4 -","2","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54178","CuKα","","0.0554","0.0478","","","0.1314","0.1354","","","","","","1.03","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708154","14.343","0.003","15.449","0.003","16.998","0.003","90","","100.44","0.03","90","","3704.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 La P S Si -","- C42 H44 La P S Si -","- C168 H176 La4 P4 S4 Si4 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","0.71073","MoKα","","0.0273","0.0208","","","0.0448","0.0466","","","","","","1.063","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708155","14.1259","0.0009","17.0307","0.0009","17.0151","0.0011","90","","111.185","0.005","90","","3816.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 La P Se Si -","- C42 H44 La P Se Si -","- C168 H176 La4 P4 Se4 Si4 -","4","1","","Guschlbauer, Jannick; Vollgraff, Tobias; Xie, Xiulan; Fetoh, Ahmed; Sundermeyer, Jörg","Heavy silylchalcogenido lanthanates synthesis Ph<sub>4</sub>P[Cp<sub>3</sub>La-ESiMe<sub>3</sub>] (E = S, Se, and Te) <i>via</i> fluoride-induced demethylation of dimethylcarbonate to Ph<sub>4</sub>P[OCO<sub>2</sub>Me] key intermediate.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13103","13111","10.1039/d1dt02000e","","","1.54178","CuKα","","0.0382","0.0328","","","0.0807","0.0821","","","","","","0.958","","","","has coordinates","269706","2021-10-06","15:32:40",""
"7708156","10.4323","0.0013","19.699","0.003","17.15","0.002","90","","101.046","0.003","90","","3459.1","0.8","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 N5 O9 Zn -","- C34 H35 N5 O9 Zn -","- C136 H140 N20 O36 Zn4 -","4","1","","Gao, Bohong; Hao, Pengfei; Li, Gao-Peng; Shen, Junju; Fu, Yunlong","An electron-deficient naphthalene diimide-based metal-organic framework for detecting electron-rich molecules through photo-/chemo-induced chromism","Dalton Transactions","2021","","","","","10.1039/D1DT02555D","","","0.71073","MoKα","","0.0536","0.0406","","","0.1243","0.1399","","","","","","1.074","","","","has coordinates,has disorder","268335","2021-08-31","23:01:30",""
"7708157","11.369","0.006","8.613","0.005","12.615","0.007","90","","115.248","0.008","90","","1117.3","1.1","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H29 Cl2 Ir N2 O -","- C22 H29 Cl2 Ir N2 O -","- C44 H58 Cl4 Ir2 N4 O2 -","2","1","","Davies, David L.; Singh, Kuldip; Tamosiunaite, Neringa","Steric Effects on Acetate-Assisted Cyclometallation of meta-substituted N-phenyl and N-benzyl imidazolium salts at [MCl2Cp*]2 (M = Ir, Rh).","Dalton Transactions","2021","","","","","10.1039/D1DT02677A","","","0.71073","MoKα","","0.0407","0.0384","","","0.0872","0.0881","","","","","","1.028","","","","has coordinates","268336","2021-08-31","23:01:52",""
"7708158","13.96209","0.0001","16.44139","0.00008","17.20872","0.00011","90","","110.025","0.0007","90","","3711.54","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Dy N15 O15 -","- C27 H24 Dy N15 O15 -","- C108 H96 Dy4 N60 O60 -","4","1","","Ye, Hua-Jian; Zhang, Tian; Huang, Shu-Yuan; Liu, Xiao-Ling; Chen, Wen-Bin; Zhang, Yi-Quan; Tang, Jinkui; Dong, Wen","Syntheses, structural modulation and slow magnetic relaxation of three dysprosium(III) complexes with mononuclear, dinuclear and one-dimensional structures","Dalton Transactions","2021","","","","","10.1039/D1DT02532E","","","1.54184","CuKα","","0.0322","0.0308","","","0.0787","0.0795","","","","","","1.1","","","","has coordinates,has disorder","268337","2021-08-31","23:02:29",""
"7708159","9.6507","0.0003","11.338","0.0002","11.8034","0.0004","103.705","0.002","90.636","0.002","106.159","0.002","1201.07","0.06","105.88","0.1","105.88","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Dy2 N12 O25 -","- C36 H44 Dy2 N12 O25 -","- C36 H44 Dy2 N12 O25 -","1","0.5","","Ye, Hua-Jian; Zhang, Tian; Huang, Shu-Yuan; Liu, Xiao-Ling; Chen, Wen-Bin; Zhang, Yi-Quan; Tang, Jinkui; Dong, Wen","Syntheses, structural modulation and slow magnetic relaxation of three dysprosium(III) complexes with mononuclear, dinuclear and one-dimensional structures","Dalton Transactions","2021","","","","","10.1039/D1DT02532E","","x-ray","1.54184","CuKα","","0.0438","0.0419","","","0.1138","0.115","","","","","","1.077","","","","has coordinates","268337","2021-08-31","23:02:29",""
"7708160","10.563","0.0001","11.3234","0.0001","12.7147","0.0001","112.649","0.001","100.386","0.001","98.741","0.001","1338.83","0.03","100","0.1","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Dy N8 O10 -","- C22 H30 Dy N8 O10 -","- C44 H60 Dy2 N16 O20 -","2","1","","Ye, Hua-Jian; Zhang, Tian; Huang, Shu-Yuan; Liu, Xiao-Ling; Chen, Wen-Bin; Zhang, Yi-Quan; Tang, Jinkui; Dong, Wen","Syntheses, structural modulation and slow magnetic relaxation of three dysprosium(III) complexes with mononuclear, dinuclear and one-dimensional structures","Dalton Transactions","2021","","","","","10.1039/D1DT02532E","","","1.54184","CuKα","","0.0295","0.0288","","","0.0769","0.0774","","","","","","1.101","","","","has coordinates,has disorder","268337","2021-08-31","23:02:30",""
"7708161","10.3408","0.0007","18.3261","0.0013","8.4021","0.0005","90","","101.452","0.002","90","","1560.55","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 K2 N10 O10 -","- C6 H4 K2 N10 O10 -","- C24 H16 K8 N40 O40 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Novel metal-organic frameworks assembled from the combination of polynitro-pyrazole and 5-nitroamine-1,2,4-oxadiazole: synthesis, structure and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12906","12912","10.1039/d1dt02093e","","","0.71073","MoKα","","0.0498","0.035","","","0.0788","0.0845","","","","","","1.022","","","","has coordinates","269711","2021-10-06","15:34:02",""
"7708162","7.8296","0.0008","22.796","0.003","7.4593","0.0007","90","","108.117","0.003","90","","1265.4","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N9 O8 -","- C6 H7 N9 O8 -","- C24 H28 N36 O32 -","4","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Novel metal-organic frameworks assembled from the combination of polynitro-pyrazole and 5-nitroamine-1,2,4-oxadiazole: synthesis, structure and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12906","12912","10.1039/d1dt02093e","","","0.71073","MoKα","","0.1695","0.0689","","","0.159","0.196","","","","","","1.03","","","","has coordinates,has disorder","269711","2021-10-06","15:34:02",""
"7708163","7.1587","0.0006","8.4966","0.0007","11.1631","0.001","97.197","0.003","99.588","0.003","90.474","0.003","663.94","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H6 K N9 O8 -","- C6 H6 K N9 O8 -","- C12 H12 K2 N18 O16 -","2","1","","Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming","Novel metal-organic frameworks assembled from the combination of polynitro-pyrazole and 5-nitroamine-1,2,4-oxadiazole: synthesis, structure and thermal properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12906","12912","10.1039/d1dt02093e","","","0.71073","MoKα","","0.0778","0.0527","","","0.1199","0.1327","","","","","","1.026","","","","has coordinates","269711","2021-10-06","15:34:02",""
"7708164","65.1518","0.001","14.7217","0.0002","24.4314","0.0004","90","","110.198","0.001","90","","21992.2","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H62 Mn N4 O15 Zn3 -","- C76 H62 Mn N4 O15 Zn3 -","- C608 H496 Mn8 N32 O120 Zn24 -","8","1","","Solomon, Marcello B.; Hua, Carol; Chan, Bun; Church, Tamara L.; Cohen, Seth M.; Kubiak, Clifford P.; Jolliffe, Katrina A.; D'Alessandro, Deanna Michelle","The Electrochemical Reduction of a Flexible Mn(II) Salen-Based Metal-Organic Framework","Dalton Transactions","2021","","","","","10.1039/D1DT02589A","","","1.54178","CuKα","","0.1402","0.0854","","","0.2385","0.2798","","","","","","0.966","","","","has coordinates,has disorder","268339","2021-08-31","23:04:01",""
"7708165","7.0604","0.0004","10.6647","0.0007","11.8334","0.0007","75.773","0.003","73.159","0.002","74.351","0.003","807.5","0.09","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 O4 -","- C20 H14 O4 -","- C40 H28 O8 -","2","1","","Matos, Catiúcia R. M. O.; Sarmiento, Charlie V.; C. Silva, Henrique; Ferreira, Glaucio B.; Guedes, Guilherme P.; Nunes, Wallace C.; Ronconi, Célia M.","Field-induced single-ion magnets exhibiting tri-axial anisotropy in a 1D Co(ii) coordination polymer with a rigid ligand 4,4′-(buta-1,3-diyne-1,4-diyl)dibenzoate","Dalton Transactions","2021","","","","","10.1039/D1DT01961A","","","0.71073","MoKα","","0.0735","0.0553","","","0.1416","0.1583","","","","","","1.112","","","","has coordinates","268372","2021-09-02","23:03:12",""
"7708166","8.6551","0.0003","17.7754","0.0005","16.1528","0.0005","90","","103.424","0.001","90","","2417.18","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 Co N2 O5 -","- C28 H20 Co N2 O5 -","- C112 H80 Co4 N8 O20 -","4","1","","Matos, Catiúcia R. M. O.; Sarmiento, Charlie V.; C. Silva, Henrique; Ferreira, Glaucio B.; Guedes, Guilherme P.; Nunes, Wallace C.; Ronconi, Célia M.","Field-induced single-ion magnets exhibiting tri-axial anisotropy in a 1D Co(ii) coordination polymer with a rigid ligand 4,4′-(buta-1,3-diyne-1,4-diyl)dibenzoate","Dalton Transactions","2021","","","","","10.1039/D1DT01961A","","","0.71073","MoKα","","0.0343","0.0281","","","0.0651","0.0688","","","","","","1.036","","","","has coordinates","268372","2021-09-02","23:03:13",""
"7708167","10.3514","0.0004","15.4895","0.0006","28.4607","0.0012","90","","95.767","0.001","90","","4540.2","0.3","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H90 P2 Pt -","- C44 H90 P2 Pt -","- C176 H360 P8 Pt4 -","4","1","","Zhu, Yun; Ehnbom, Andreas; Fiedler, Tobias; Shu, Yi; Bhuvanesh, Nattamai; Hall, Michael B.; Gladysz, John A.","Platinum(ii) alkyl complexes of chelating dibridgehead diphosphines P((CH2)n)3P (n = 14, 18, 22); facile cis/trans isomerizations interconverting gyroscope and parachute like adducts","Dalton Transactions","2021","","","","","10.1039/D1DT02321G","","","0.71073","MoKα","","0.0378","0.0331","","","0.0695","0.0732","","","","","","1.073","","","","has coordinates,has disorder","268373","2021-09-02","23:04:35",""
"7708168","16.2658","0.0009","13.6513","0.0008","19.9653","0.0011","90","","90.909","0.002","90","","4432.7","0.4","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H87 Cl P2 Pt -","- C43 H87 Cl P2 Pt -","- C172 H348 Cl4 P8 Pt4 -","4","1","","Zhu, Yun; Ehnbom, Andreas; Fiedler, Tobias; Shu, Yi; Bhuvanesh, Nattamai; Hall, Michael B.; Gladysz, John A.","Platinum(ii) alkyl complexes of chelating dibridgehead diphosphines P((CH2)n)3P (n = 14, 18, 22); facile cis/trans isomerizations interconverting gyroscope and parachute like adducts","Dalton Transactions","2021","","","","","10.1039/D1DT02321G","","","0.71073","MoKα","","0.0226","0.0183","","","0.0387","0.0402","","","","","","1.056","","","","has coordinates,has disorder","268373","2021-09-02","23:04:36",""
"7708169","20.481","0.006","13.685","0.004","33.232","0.01","90","","90","","90","","9314","5","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H87 I P2 Pt -","- C43 H87 I P2 Pt -","- C344 H696 I8 P16 Pt8 -","8","1","","Zhu, Yun; Ehnbom, Andreas; Fiedler, Tobias; Shu, Yi; Bhuvanesh, Nattamai; Hall, Michael B.; Gladysz, John A.","Platinum(ii) alkyl complexes of chelating dibridgehead diphosphines P((CH2)n)3P (n = 14, 18, 22); facile cis/trans isomerizations interconverting gyroscope and parachute like adducts","Dalton Transactions","2021","","","","","10.1039/D1DT02321G","","","0.71073","MoKα","","0.0493","0.0353","","","0.0837","0.0918","","","","","","1.076","","","","has coordinates,has disorder","268373","2021-09-02","23:04:36",""
"7708170","38.54","0.007","14.255","0.003","25.681","0.004","90","","91.995","0.002","90","","14100","4","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H89 Cl P2 Pt -","- C44 H89 Cl P2 Pt -","- C528 H1068 Cl12 P24 Pt12 -","12","3","","Zhu, Yun; Ehnbom, Andreas; Fiedler, Tobias; Shu, Yi; Bhuvanesh, Nattamai; Hall, Michael B.; Gladysz, John A.","Platinum(ii) alkyl complexes of chelating dibridgehead diphosphines P((CH2)n)3P (n = 14, 18, 22); facile cis/trans isomerizations interconverting gyroscope and parachute like adducts","Dalton Transactions","2021","","","","","10.1039/D1DT02321G","","","0.71073","MoKα","","0.0934","0.0585","","","0.1194","0.1364","","","","","","1.056","","","","has coordinates,has disorder","268373","2021-09-02","23:04:36",""
"7708171","14.2486","0.001","19.1836","0.0014","21.6652","0.0018","90","","106.281","0.002","90","","5684.5","0.7","150","","150","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C24 H82 Ho I3 N12 O9 P4 -","- C24 H82 Ho I3 N12 O9 P4 -","- C96 H328 Ho4 I12 N48 O36 P16 -","4","1","","Klahn, Emil Andreasen; Thiel, Andreas Munch; Degn, Rasmus B.; Kibalin, Iurii; Gukasov, Arsen; wilson, claire; Canaj, Angelos B.; Murrie, Mark; Overgaard, Jacob","Magnetic anisotropies of Ho(III) and Dy(III) single-molecule magnets experimentally determined via polarized neutron diffraction","Dalton Transactions","2021","","","","","10.1039/D1DT01959G","","","0.71073","MoKα","","0.0383","0.0349","","","0.0875","0.0903","","","","","","1.045","","","","has coordinates,has disorder","268374","2021-09-02","23:05:21",""
"7708172","8.2117","0.0002","13.3475","0.0004","14.2019","0.0004","98.8761","0.0009","95.6991","0.0009","92.0161","0.0009","1528.34","0.07","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","","PhOPy(afaCy)2MnCl","","- C35 H40 Cl Mn N5 O -","- C35 H40 Cl Mn N5 O -","- C70 H80 Cl2 Mn2 N10 O2 -","2","1","","Leahy, Clare A.; Drummond, Michael J.; Vura-Weis, Josh; Fout, Alison R.","Synthesis of a series of M(ii) (M = Mn, Fe, Co) chloride complexes with both inter- and intra-ligand hydrogen bonding interactions","Dalton Transactions","2021","","","","","10.1039/D1DT02585F","","x-ray","0.71073","MoKα","","0.0337","0.0291","","","0.0723","0.0751","","","","","","1.098","","","","has coordinates,has disorder","268375","2021-09-02","23:06:14",""
"7708173","8.2743","0.0003","14.0697","0.0005","16.2126","0.0006","107.625","0.002","99.068","0.002","106.032","0.002","1667.83","0.11","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","PhOPy(afaCy)2FeCl","","- C35 H40 Cl Fe N5 O -","- C35 H40 Cl Fe N5 O -","- C70 H80 Cl2 Fe2 N10 O2 -","2","1","","Leahy, Clare A.; Drummond, Michael J.; Vura-Weis, Josh; Fout, Alison R.","Synthesis of a series of M(ii) (M = Mn, Fe, Co) chloride complexes with both inter- and intra-ligand hydrogen bonding interactions","Dalton Transactions","2021","","","","","10.1039/D1DT02585F","","x-ray","0.71073","MoKα","","0.0532","0.0417","","","0.114","0.1225","","","","","","1.053","","","","has coordinates","268375","2021-09-02","23:06:14",""
"7708174","12.8543","0.0004","13.1875","0.0004","21.8904","0.0007","93.459","0.001","91.024","0.001","106.689","0.001","3545.59","0.19","99.95","","99.95","","","","","","","","","6","P -1","-P 1","2","","PhOPy(afaCy)2CoCl","","- C71 H82 Cl4 Co2 N10 O2 -","- C71 H82 Cl4 Co2 N10 O2 -","- C142 H164 Cl8 Co4 N20 O4 -","2","1","","Leahy, Clare A.; Drummond, Michael J.; Vura-Weis, Josh; Fout, Alison R.","Synthesis of a series of M(ii) (M = Mn, Fe, Co) chloride complexes with both inter- and intra-ligand hydrogen bonding interactions","Dalton Transactions","2021","","","","","10.1039/D1DT02585F","","x-ray","0.71073","MoKα","","0.045","0.0386","","","0.0856","0.0892","","","","","","1.064","","","","has coordinates","268375","2021-09-02","23:06:15",""
"7708175","8.163","0.0003","26.1908","0.0008","15.0823","0.0004","90","","104.21","0.003","90","","3125.87","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","K3V3O3(pgal)3.2DMF","","","- C24 H23 K3 N2 O14 V3 -","- C24 H23 K3 N2 O14 V3 -","- C96 H92 K12 N8 O56 V12 -","4","1","","Mkhadder, Hassan; Denis, Morgane; Giménez-Marqués, Mónica; Cañón-Mancisidor, Walter; Humbert, Bernard; Deunf, Elise; Poizot, Philippe; Devic, Thomas","A tris-oxovanadium pyrogallate complex: synthesis, structure, and magnetic and electronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT01990B","","x-ray","0.67173","synchrotron","","0.0707","0.0426","","","0.0919","0.1035","","","","","","1.034","","","","has coordinates","268376","2021-09-02","23:07:04",""
"7708176","13.734","0.003","14.379","0.003","15.837","0.003","90","","114.68","0.03","90","","2841.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","K3V3O3(pgal)3.4H2O","","","- C18 H17 K3 O16 V3 -","- C18 H9 K3 O16 V3 -","- C72 H36 K12 O64 V12 -","4","1","","Mkhadder, Hassan; Denis, Morgane; Giménez-Marqués, Mónica; Cañón-Mancisidor, Walter; Humbert, Bernard; Deunf, Elise; Poizot, Philippe; Devic, Thomas","A tris-oxovanadium pyrogallate complex: synthesis, structure, and magnetic and electronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT01990B","","","0.71073","MoKα","","0.1137","0.0659","","","0.1606","0.1877","","","","","","1.075","","","","has coordinates","268376","2021-09-02","23:07:05",""
"7708177","6.966","0.003","8.253","0.004","9.105","0.004","100.737","0.006","111.177","0.006","98.352","0.007","466.5","0.4","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H20 Cl2 Cu N4 O10 -","- C10 H20 Cl2 Cu N4 O10 -","- C10 H20 Cl2 Cu N4 O10 -","1","0.5","","Kumar, Brajesh; Das, Tushar; Das, Subhadeep; Maniukiewicz, Waldemar; Nesterov, Dmytro; Kirillov, Alexander; Das, Subrata","Coupling 6-chloro-3-methyluracil with copper: Structural features, theoretical analysis, and biofunctional properties","Dalton Transactions","2021","","","","","10.1039/D1DT02018H","","","0.71073","MoKα","","0.0232","0.0213","","","0.0589","0.0623","","","","","","1.0465","","","","has coordinates","268377","2021-09-02","23:07:37",""
"7708178","4.894","0.00014","4.894","0.00014","16.2663","0.0005","90","","90","","120","","337.402","0.017","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","Borate","","- B2 Eu0.98 O6 Sc1.02 -","- B2 Eu0.978 O6 Sc1.022 -","- B6 Eu2.934 O18 Sc3.066 -","3","0.166667","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Kaneva, Еkaterina V.; Svetlichnyi, Valery; Kononova, Nadezhda; Shevchenko, Vyacheslav; Rashchenko, Sergey V.; Kokh, Alexander E.","Study of EuBO3 - ScBO3 system and EuSc3(BO3)4, EuSc(BO3)2 orthoborates","Dalton Transactions","2021","","","","","10.1039/D1DT02477A","","","0.71073","MoKα","","0.0193","0.0179","","","0.0481","0.0492","","","","","","1.31","","","","has coordinates,has disorder","268378","2021-09-02","23:08:22",""
"7708179","7.6873","0.0013","9.8098","0.0017","12.021","0.002","90","","105.379","0.004","90","","874.1","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B4 Eu O12 Sc3 -","- B4 Eu O12 Sc3 -","- B16 Eu4 O48 Sc12 -","4","0.5","","Kuznetsov, Artem B.; Kokh, Konstantin A.; Kaneva, Еkaterina V.; Svetlichnyi, Valery; Kononova, Nadezhda; Shevchenko, Vyacheslav; Rashchenko, Sergey V.; Kokh, Alexander E.","Study of EuBO3 - ScBO3 system and EuSc3(BO3)4, EuSc(BO3)2 orthoborates","Dalton Transactions","2021","","","","","10.1039/D1DT02477A","","","0.71073","MoKα","","0.0286","0.0285","","0.029","0.029","0.0289","","","","","","1.0039","","","","has coordinates","268378","2021-09-02","23:08:27",""
"7708180","12.5438","0.0004","19.8952","0.0006","17.7349","0.0006","90","","106.128","0.003","90","","4251.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H66 B4 Li2 N6 O6 -","- C38 H66 B4 Li2 N6 O6 -","- C152 H264 B16 Li8 N24 O24 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0655","0.049","","","0.1255","0.1366","","","","","","1.027","","","","has coordinates","269704","2021-10-06","15:32:13",""
"7708181","16.6556","0.0002","16.6556","0.0002","27.4355","0.0003","90","","90","","120","","6591.19","0.13","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C66.91 H105.82 B8 N8 Na4 O12.73 -","- C66.912 H105.824 B8 N8 Na4 O12.728 -","- C200.736 H317.472 B24 N24 Na12 O38.184 -","3","0.5","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0554","0.0535","","","0.1453","0.1469","","","","","","1.056","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708182","27.2197","0.0008","12.9528","0.0005","33.2002","0.0012","90","","103.948","0.003","90","","11360.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H146 B8 Li6 N8 O18 -","- C88 H146 B8 Li6 N8 O18 -","- C352 H584 B32 Li24 N32 O72 -","4","0.5","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0684","0.0578","","","0.152","0.1602","","","","","","1.054","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708183","19.3963","0.0012","16.786","0.0008","22.9634","0.0014","90","","101.073","0.006","90","","7337.4","0.7","100.3","0.2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","WO_155","","","- C58 H100 B4 Li6 N6 O8 -","- C58 H100 B4 Li6 N6 O8 -","- C232 H400 B16 Li24 N24 O32 -","4","0.5","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0699","0.0523","","","0.136","0.1497","","","","","","1.058","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708184","11.5005","0.0006","21.0732","0.0009","11.858","0.0006","90","","114.857","0.006","90","","2607.6","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H39 B2 K N2 O4.5 -","- C22 H39 B2 K N2 O4.5 -","- C88 H156 B8 K4 N8 O18 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0364","0.0339","","","0.0835","0.086","","","","","","1.057","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708185","11.5646","0.0005","23.7208","0.001","18.0699","0.001","90","","99.697","0.004","90","","4886.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H74 B4 Li2 N4 O9 -","- C44 H74 B4 Li2 N4 O9 -","- C176 H296 B16 Li8 N16 O36 -","4","1","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.0606","0.0435","","","0.1021","0.1135","","","","","","1.026","","","","has coordinates","269704","2021-10-06","15:32:14",""
"7708186","22.5108","0.0004","12.8635","0.0002","27.2387","0.0005","90","","111.665","0.002","90","","7330.3","0.2","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C63.24 H112.48 B4 Li6 N4 O11.81 -","- C63.24 H112.48 B4 Li6 N4 O11.81 -","- C252.96 H449.92 B16 Li24 N16 O47.24 -","4","0.5","","Drescher, Wiebke; Kleeberg, Christian","N-H deprotonation of a diaminodialkoxido diborane(4) - a structural study on bifunctional Lewis acids/bases and their dimerisation to B(sp<sup>2</sup>)<sub>2</sub>B(sp<sup>3</sup>)<sub>2</sub>N<sub>2</sub> six membered rings.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","13149","13157","10.1039/d1dt02327f","","","1.54184","CuKα","","0.058","0.054","","","0.1607","0.1655","","","","","","1.025","","","","has coordinates,has disorder","269704","2021-10-06","15:32:14",""
"7708187","13.471","0.003","15.43","0.003","17.434","0.004","90","","90","0.03","90","","3623.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MOF","","","- C31 H28 Co2 N9 O13 -","- C31 H28 Co2 N9 O13 -","- C124 H112 Co8 N36 O52 -","4","1","","Rani, Deepika; Bhasin, K.k; Singh, Monika","Non-porous Interpenetrating Co-bpe MOF for colorimetric iodide sensing","Dalton Transactions","2021","","","","","10.1039/D1DT01757H","","","0.71073","MoKα","","0.0427","0.0383","","","0.1006","0.1047","","","","","","1.042","","","","has coordinates","268450","2021-09-03","22:56:26",""
"7708188","17.2401","0.0003","17.2401","0.0003","42.898","0.001","90","","90","","90","","12750.2","0.4","100","2","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C156 H126 B4 Fe4 N30 -","- C156 H126 B4 Fe4 N30 -","- C624 H504 B16 Fe16 N120 -","4","0.25","","Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu","An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour","Dalton Transactions","2021","","","","","10.1039/D1DT01908B","","","1.54178","CuKα","","0.0459","0.0369","","","0.0965","0.1011","","","","","","1.068","","","","has coordinates,has disorder","268487","2021-09-05","22:50:52",""
"7708189","17.4466","0.0003","17.4466","0.0003","43.6969","0.0013","90","","90","","90","","13300.6","0.5","300","2","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C156 H126 B4 Fe4 N30 -","- C156 H126 B4 Fe4 N30 -","- C624 H504 B16 Fe16 N120 -","4","0.25","","Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu","An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour","Dalton Transactions","2021","","","","","10.1039/D1DT01908B","","","1.54178","CuKα","","0.0782","0.0493","","","0.1301","0.1478","","","","","","1.025","","","","has coordinates,has disorder","268487","2021-09-05","22:50:54",""
"7708190","17.2652","0.0008","17.2652","0.0008","43.062","0.003","90","","90","","90","","12836.2","1.2","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C156 H126 B4 Fe4 N30 -","- C156 H126 B4 Fe4 N30 -","- C624 H504 B16 Fe16 N120 -","4","0.25","","Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu","An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour","Dalton Transactions","2021","","","","","10.1039/D1DT01908B","","","1.54178","CuKα","","0.1027","0.066","","","0.1706","0.1994","","","","","","0.996","","","","has coordinates,has disorder","268487","2021-09-05","22:50:54",""
"7708191","17.3036","0.0003","17.3036","0.0003","43.1803","0.001","90","","90","","90","","12928.8","0.4","200","2","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C156 H126 B4 Fe4 N30 -","- C156 H126 B4 Fe4 N30 -","- C624 H504 B16 Fe16 N120 -","4","0.25","","Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu","An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour","Dalton Transactions","2021","","","","","10.1039/D1DT01908B","","","1.54178","CuKα","","0.0466","0.0355","","","0.0904","0.0958","","","","","","1.057","","","","has coordinates,has disorder","268487","2021-09-05","22:50:54",""
"7708192","18.0455","0.0008","19.1164","0.0008","28.9018","0.0012","89.217","0.002","72.662","0.002","62.82","0.002","8377.7","0.7","100.01","","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C162 H161 B4 Cl3 Fe4 N40 O -","- C162 H161 B4 Cl3 Fe4 N40 O -","- C324 H322 B8 Cl6 Fe8 N80 O2 -","2","1","","Guo, Zhilin; You, Maolin; Deng, Yi-Fei; Liu, Qiang; Meng, Yin-Shan; Pikramenou, Zoe; Zhang, Yuan-Zhu","An azido-bridged [FeII4] grid-like molecule showing spin crossover behaviour","Dalton Transactions","2021","","","","","10.1039/D1DT01908B","","","0.71073","MoKα","","0.0763","0.0496","","","0.119","0.1331","","","","","","1.03","","","","has coordinates,has disorder","268487","2021-09-05","22:50:54",""
"7708193","11.823","0.003","14.089","0.004","14.374","0.004","109.804","0.003","103.208","0.004","90.001","0.004","2185.3","1","273","2","273","2","","","","","","","","9","P -1","-P 1","2","","","","- C34 H46.5 Au2 Cl F3 N4.5 O3 P S -","- C33 H45 Au2 Cl F3 N4 O3 P S -","- C66 H90 Au4 Cl2 F6 N8 O6 P2 S2 -","2","1","","Trevisan, Gianmarco; Vitali, Valentina; Tubaro, Cristina; Graiff, Claudia; Marchenko, Anatolyi; Koidan, Georgyi; Hurieva, Anastasiya; Kostyuk, Aleksandr; Mauceri, Matteo; Rizzolio, Flavio; Accorsi, Gianluca; Biffis, Andrea","Dinuclear gold(I) complexes with N-phosphanyl, N-heterocyclic carbene ligands: synthetic strategies, luminescence properties and anticancer activity","Dalton Transactions","2021","","","","","10.1039/D1DT02444B","","","0.71073","MoKα","","0.116","0.0753","","","0.2063","0.2565","","","","","","0.893","","","","has coordinates","268982","2021-09-06","23:01:06",""
"7708194","10.2967","0.0007","11.1412","0.001","28.607","0.002","90","","92.336","0.003","90","","3279","0.4","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 Au2 Cl F3 N2 O3 P S2 -","- C24 H41 Au2 Cl F3 N2 O3 P S2 -","- C96 H164 Au8 Cl4 F12 N8 O12 P4 S8 -","4","1","","Trevisan, Gianmarco; Vitali, Valentina; Tubaro, Cristina; Graiff, Claudia; Marchenko, Anatolyi; Koidan, Georgyi; Hurieva, Anastasiya; Kostyuk, Aleksandr; Mauceri, Matteo; Rizzolio, Flavio; Accorsi, Gianluca; Biffis, Andrea","Dinuclear gold(I) complexes with N-phosphanyl, N-heterocyclic carbene ligands: synthetic strategies, luminescence properties and anticancer activity","Dalton Transactions","2021","","","","","10.1039/D1DT02444B","","","0.71073","MoKα","","0.0238","0.0222","","","0.0564","0.0572","","","","","","1.046","","","","has coordinates","268982","2021-09-06","23:01:07",""
"7708195","22.6598","0.0008","9.4901","0.0003","26.2429","0.0013","90","","113.3","0.001","90","","5183.1","0.4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C42 H64 Au2 F6 N6 O6 P2 S2 -","- C42 H64 Au2 F6 N6 O6 P2 S2 -","- C168 H256 Au8 F24 N24 O24 P8 S8 -","4","0.5","","Trevisan, Gianmarco; Vitali, Valentina; Tubaro, Cristina; Graiff, Claudia; Marchenko, Anatolyi; Koidan, Georgyi; Hurieva, Anastasiya; Kostyuk, Aleksandr; Mauceri, Matteo; Rizzolio, Flavio; Accorsi, Gianluca; Biffis, Andrea","Dinuclear gold(I) complexes with N-phosphanyl, N-heterocyclic carbene ligands: synthetic strategies, luminescence properties and anticancer activity","Dalton Transactions","2021","","","","","10.1039/D1DT02444B","","","0.71073","MoKα","","0.0805","0.0637","","","0.157","0.167","","","","","","1.081","","","","has coordinates","268982","2021-09-06","23:01:07",""
"7708196","9.3294","0.0005","10.4494","0.0006","18.6129","0.001","78.955","0.002","84.572","0.002","69.27","0.002","1664.89","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H45 N Si2 -","- C39 H45 N Si2 -","- C78 H90 N2 Si4 -","2","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","1.54178","CuKα","","0.1455","0.1341","","","0.3657","0.3715","","","","","","1.121","","","","has coordinates","268984","2021-09-06","23:04:59",""
"7708197","12.889","0.003","16.963","0.004","13.963","0.004","90","","98.517","0.009","90","","3019.1","1.3","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N -","- C41 H35 N -","- C164 H140 N4 -","4","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.1236","0.0594","","","0.1068","0.1293","","","","","","1.042","","","","has coordinates","268984","2021-09-06","23:05:07",""
"7708198","5.4624","0.0011","13.41","0.003","17.986","0.004","102.708","0.011","97.662","0.012","98.134","0.011","1253.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N O -","- C34 H27 N O -","- C68 H54 N2 O2 -","2","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.1486","0.1089","","","0.2763","0.2953","","","","","","1.052","","","","has coordinates","268984","2021-09-06","23:05:07",""
"7708199","12.7282","0.0011","16.851","0.0012","13.953","0.0011","90","","98.367","0.003","90","","2960.8","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 N -","- C40 H33 N -","- C160 H132 N4 -","4","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.1178","0.0715","","","0.1221","0.1387","","","","","","1.081","","","","has coordinates","268984","2021-09-06","23:05:08",""
"7708200","13.659","0.0009","14.2712","0.0008","21.5396","0.0014","88.277","0.002","79.673","0.002","85.386","0.002","4116.8","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C54.5 H53 N -","- C54.5 H53 N -","- C218 H212 N4 -","4","2","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.0906","0.0559","","","0.1322","0.1497","","","","","","1.013","","","","has coordinates","268984","2021-09-06","23:05:08",""
"7708201","13.6239","0.0005","16.2204","0.0006","18.3295","0.0008","111.979","0.002","96.405","0.002","104.882","0.002","3531.4","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H41 N -","- C47 H41 N -","- C188 H164 N4 -","4","2","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.1069","0.0608","","","0.126","0.1451","","","","","","1.042","","","","has coordinates","268984","2021-09-06","23:05:08",""
"7708202","10.9439","0.001","11.4579","0.001","12.4427","0.0011","73.734","0.003","75.085","0.003","77.426","0.003","1429.4","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H35 N -","- C40 H35 N -","- C80 H70 N2 -","2","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.1415","0.1187","","","0.2892","0.3018","","","","","","1.118","","","","has coordinates","268984","2021-09-06","23:05:08",""
"7708203","12.1041","0.0005","16.6818","0.0005","15.3349","0.0005","90","","91.605","0.001","90","","3095.18","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H31 N O2 -","- C41 H31 N O2 -","- C164 H124 N4 O8 -","4","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.0776","0.0499","","","0.1099","0.123","","","","","","1.04","","","","has coordinates","268984","2021-09-06","23:05:08",""
"7708204","8.622","0.002","19.654","0.002","18.335","0.002","90","","94.724","0.009","90","","3096.4","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 Cl N P -","- C40 H33 Cl N P -","- C160 H132 Cl4 N4 P4 -","4","1","","Vrána, Jan; Němec, Vlastimil; Samsonov, Maksim Andreevich; Růžička, Aleš","On the edge of the steric repulsion and reactivity of bulky anilines; a case study of chloro(imino)phosphine synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT02445K","","","0.71073","MoKα","","0.0999","0.0616","","","0.1338","0.151","","","","","","1.068","","","","has coordinates","268984","2021-09-06","23:05:08",""
"7708205","25.4392","0.0013","25.4392","0.0013","12.2009","0.0005","90","","90","","90","","7895.8","0.7","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","tetra-(μ3-iodo)-tetrakis(10-(4-chlorophenyl)-5,10-dihydro-5-methyl-phenarsazine)copper(I)","","- C76 H60 As4 Cl4 Cu4 I4 N4 -","- C76 H60 As4 Cl4 Cu4 I4 N4 -","- C304 H240 As16 Cl16 Cu16 I16 N16 -","4","0.25","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Luminescent Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on <i>N</i>-methyl-5,10-dihydrophenarsazines.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02344f","","","0.71073","MoKα","","0.076","0.0418","","","0.1151","0.1647","","","","","","1.009","","","","has coordinates","268985","2021-09-06","23:06:24",""
"7708206","25.383","0.002","25.383","0.002","12.2628","0.0009","90","","90","","90","","7900.9","1.1","296","2","296","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","tetra-(μ3-iodo)-tetrakis(10-(4-bromophenyl)-5,10-dihydro-5-methyl-phenarsazine)copper(I)","","- C152 H120 As8 Br8 Cu8 I8 N8 -","- C152 H120 As8 Br8 Cu8 I8 N8 -","- C304 H240 As16 Br16 Cu16 I16 N16 -","2","0.125","","Galimova, Milyausha F.; Zueva, Ekaterina M.; Dobrynin, Alexey B.; Kolesnikov, Ilya E.; Musin, Rustem R.; Musina, Elvira I.; Karasik, Andrey A.","Luminescent Cu<sub>4</sub>I<sub>4</sub>-cubane clusters based on <i>N</i>-methyl-5,10-dihydrophenarsazines.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02344f","","","0.71073","MoKα","","0.0719","0.0466","","","0.1356","0.1617","","","","","","0.995","","","","has coordinates","268985","2021-09-06","23:06:24",""
"7708207","10.9617","0.0005","12.906","0.0006","10.4101","0.0005","90","","112.555","0.0017","90","","1360.09","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H7 N15 O6 -","- C5 H7 N15 O6 -","- C20 H28 N60 O24 -","4","1","","Chaplygin, Daniil; Larin, Alexander; Muravyev, Nikita V.; Meerov, Dmitry B.; Kosareva, Ekaterina; Kiselev, Vitaly G.; Pivkina, Alla N.; Ananyev, Ivan V.; Fershtat, Leonid","Nitrogen-Rich Metal-Free Salts: a New Look at 5 (Trinitromethyl)tetrazolate Anion as an Energetic Moiety","Dalton Transactions","2021","","","","","10.1039/D1DT02688G","","","0.71073","MoKα","","0.0952","0.0504","","","0.1111","0.1229","","","","","","1.01","","","","has coordinates","268986","2021-09-06","23:06:52",""
"7708208","8.9331","0.0003","37.0448","0.001","9.5587","0.0003","90","","106.753","0.001","90","","3028.95","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Samarium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Sm -","- C33 N6 O7 Sm -","- C132 N24 O28 Sm4 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0545","0.0371","","","0.0914","0.1009","","","","","","1.03","","","","has coordinates","268987","2021-09-06","23:10:18",""
"7708209","8.8673","0.0015","37.153","0.008","9.4413","0.0019","90","","106.228","0.007","90","","2986.5","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Erbium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 Er N6 O7 -","- C33 Er N6 O7 -","- C132 Er4 N24 O28 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0929","0.0677","","","0.1605","0.1988","","","","","","1.167","","","","has coordinates","268987","2021-09-06","23:10:18",""
"7708210","17.9251","0.0003","9.4654","0.0002","11.8816","0.0002","90","","125.178","0.001","90","","1647.75","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Erbium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 Er N3 O6 -","- C18 Er N3 O6 -","- C72 Er4 N12 O24 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0183","0.0181","","","0.0535","0.0536","","","","","","1.157","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708211","17.9267","0.0015","9.516","0.0008","11.8585","0.0009","90","","125.021","0.002","90","","1656.7","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dysprosium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 Dy N3 O6 -","- C18 Dy N3 O6 -","- C72 Dy4 N12 O24 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0208","0.0195","","","0.056","0.0569","","","","","","1.096","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708212","17.9568","0.0008","9.4586","0.0004","11.883","0.0005","90","","125.126","0.001","90","","1650.73","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Terbium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Tb -","- C18 N3 O6 Tb -","- C72 N12 O24 Tb4 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0243","0.0225","","","0.0594","0.0676","","","","","","1.111","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708213","17.9643","0.0015","9.4713","0.0006","11.8804","0.0009","90","","125.099","0.002","90","","1653.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Samarium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Sm -","- C18 N3 O6 Sm -","- C72 N12 O24 Sm4 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0305","0.0275","","","0.0737","0.0756","","","","","","1.094","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708214","8.8308","0.0005","36.9771","0.0018","9.3896","0.0005","90","","106.119","0.002","90","","2945.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lutetium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 Lu N6 O7 -","- C33 Lu N6 O7 -","- C132 Lu4 N24 O28 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0518","0.0389","","","0.1329","0.142","","","","","","1.064","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708215","8.8826","0.0003","36.7385","0.0011","9.5138","0.0003","90","","106.717","0.001","90","","2973.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Europium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 Eu N6 O7 -","- C33 Eu N6 O7 -","- C132 Eu4 N24 O28 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0472","0.0451","","","0.1024","0.1032","","","","","","1.354","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708216","8.8962","0.0007","37.022","0.003","9.4944","0.0008","90","","106.503","0.003","90","","2998.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Terbium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Tb -","- C33 N6 O7 Tb -","- C132 N24 O28 Tb4 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0522","0.0379","","","0.0936","0.1012","","","","","","1.083","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708217","8.8478","0.0013","36.887","0.006","9.4061","0.0011","90","","106.1","0.006","90","","2949.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Ytterbium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 N6 O7 Yb -","- C33 N6 O7 Yb -","- C132 N24 O28 Yb4 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0569","0.0462","","","0.1037","0.1075","","","","","","1.129","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708218","8.8872","0.0005","36.989","0.003","9.4668","0.0006","90","","106.421","0.002","90","","2985.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dysprosium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 Dy N6 O7 -","- C33 Dy N6 O7 -","- C132 Dy4 N24 O28 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0618","0.0413","","","0.0956","0.1062","","","","","","1.047","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708219","17.802","0.0009","9.3809","0.0005","11.7938","0.0006","90","","125.478","0.001","90","","1603.88","0.14","304","2","304","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Lutetium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 Lu N3 O6 -","- C18 Lu N3 O6 -","- C72 Lu4 N12 O24 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0303","0.0286","","","0.0765","0.0781","","","","","","1.075","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708220","17.9534","0.0012","9.471","0.0007","11.8781","0.0009","90","","125.1","0.002","90","","1652.4","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Gadolinium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 Gd N3 O6 -","- C18 Gd N3 O6 -","- C72 Gd4 N12 O24 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0248","0.024","","","0.0644","0.065","","","","","","1.058","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708221","17.945","0.002","9.4044","0.001","11.9566","0.0014","90","","124.353","0.004","90","","1665.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ytterbium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 N3 O6 Yb -","- C18 N3 O6 Yb -","- C72 N12 O24 Yb4 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0329","0.0299","","","0.0801","0.0828","","","","","","1.097","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708222","17.9743","0.001","9.4752","0.0005","11.8779","0.0006","90","","125.097","0.002","90","","1655.12","0.16","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Europium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 Eu N3 O6 -","- C18 Eu N3 O6 -","- C72 Eu4 N12 O24 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0247","0.0227","","","0.0614","0.0629","","","","","","1.096","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708223","8.9185","0.0005","37.0181","0.0018","9.521","0.0005","90","","106.664","0.002","90","","3011.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Gadolinium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 Gd N6 O7 -","- C33 Gd N6 O7 -","- C132 Gd4 N24 O28 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0596","0.0378","","","0.0915","0.1017","","","","","","1.021","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708224","17.943","0.003","9.4929","0.0016","11.8703","0.0019","90","","125.173","0.005","90","","1652.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Holmium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C18 Ho N3 O6 -","- C18 Ho N3 O6 -","- C72 Ho4 N12 O24 -","4","0.5","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0198","0.0189","","","0.0539","0.0546","","","","","","1.095","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708225","8.8861","0.0007","36.999","0.002","9.4549","0.0007","90","","106.468","0.002","90","","2981","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Holmium 2,2':6',2''-terpyridine-4'-carboxyli","","","- C33 Ho N6 O7 -","- C33 Ho N6 O7 -","- C132 Ho4 N24 O28 -","4","1","","Qian, Junfeng; Lu, Huangjie; Zheng, Zhaofa; Xu, Miaomiao; Qian, Yuan; Zhang, Zhi-Hui; Wang, Jian-Qiang; He, Mingyang; Lin, Jian","Achieving Colour Tuneable and White-Light Luminescence in a Large Family of Dual-Emission Lanthanide Coordination Polymers","Dalton Transactions","2021","","","","","10.1039/D1DT01618K","","","0.71073","MoKα","","0.0622","0.038","","","0.0883","0.1001","","","","","","1.008","","","","has coordinates","268987","2021-09-06","23:10:19",""
"7708226","14.5408","0.0005","10.5871","0.0003","27.8908","0.0009","90","","104.198","0.001","90","","4162.5","0.2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 P4 Ru Si2 -","- C42 H50 P4 Ru Si2 -","- C168 H200 P16 Ru4 Si8 -","4","1","","Trodden, Elizabeth C.; Delve, Matthew P.; Luz, Christian; Newland, Robert J.; Andresen, John M.; Mansell, Stephen M.","A ruthenium <i>cis</i>-dihydride with 2-phosphinophosphinine ligands catalyses the acceptorless dehydrogenation of benzyl alcohol.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02508b","","","1.54178","CuKα","","0.0256","0.025","","","0.0602","0.0606","","","","","","1.147","","","","has coordinates","268988","2021-09-06","23:12:01",""
"7708227","8.0735","0.0002","8.0735","0.0002","31.3692","0.001","90","","90","","120","","1770.75","0.08","293","2","296","2","","","","","","","","5","P 32","P 32","145","","","","- C28 H24 N2 O2 Se2 -","- C28 H24 N2 O2 Se2 -","- C84 H72 N6 O6 Se6 -","3","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.049","0.0351","","","0.0598","0.0646","","","","","","0.965","","","","has coordinates","269037","2021-09-07","22:56:21",""
"7708228","24.107","0.013","8.995","0.004","11.722","0.006","90","","91.71","0.03","90","","2541","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2.24 H1.92 N0.16 O0.32 Se0.16 -","- C2.24 H1.92 N0.16 O0.32 Se0.16 -","- C112 H96 N8 O16 Se8 -","50","6.25","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.1784","0.072","","","0.1128","0.1523","","","","","","1.041","","","","has coordinates","269037","2021-09-07","22:56:22",""
"7708229","12.5499","0.0008","12.6715","0.0007","16.6217","0.0011","68.735","0.002","68.016","0.002","89.905","0.002","2256.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.71 H2.86 N0.29 O0.29 Se0.29 -","- C3.71429 H2.85714 N0.285714 O0.285714 Se0.285714 -","- C104 H80 N8 O8 Se8 -","28","14","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.1097","0.0601","","","0.1199","0.1421","","","","","","0.984","","","","has coordinates","269037","2021-09-07","22:56:22",""
"7708230","13.071","0.0004","52.6293","0.0018","7.531","0.0002","90","","90","","90","","5180.7","0.3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H14 N O2 Se -","- C15 H14 N O2 Se -","- C240 H224 N16 O32 Se16 -","16","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.0498","0.0364","","","0.0623","0.0659","","","","","","0.963","","","","has coordinates","269037","2021-09-07","22:56:22",""
"7708231","12.7891","0.0007","97.971","0.007","8.3096","0.0005","90","","90","","90","","10411.6","1.1","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H28 N2 O2 Se2 -","- C30 H28 N2 O2 Se2 -","- C480 H448 N32 O32 Se32 -","16","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.0965","0.0498","","","0.0752","0.0847","","","","","","1.062","","","","has coordinates","269037","2021-09-07","22:56:23",""
"7708232","10.2947","0.0003","13.243","0.0004","16.0604","0.0005","71.613","0.002","89.239","0.002","72.347","0.002","1971.7","0.11","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 O2 Se2 -","- C42 H56 N2 O2 Se2 -","- C84 H112 N4 O4 Se4 -","2","1","","Upadhyay, Aditya; Jha, Raushan Kumar; BATABYAL, MONOJIT; Dutta, Tanoy; Koner, Apurba Lal; Kumar, Sangit","Janus-Faced Oxidant and Antioxidant Profiles of Organo Diselenides","Dalton Transactions","2021","","","","","10.1039/D1DT01565F","","","0.71073","MoKα","","0.105","0.0707","","","0.1911","0.2112","","","","","","1.107","","","","has coordinates","269037","2021-09-07","22:56:23",""
"7708233","10.5373","0.0008","10.6701","0.0007","21.6072","0.0017","93.626","0.002","98.353","0.002","90.21","0.002","2398.6","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H38 Au2 F6 N2 O6 P2 S2 -","- C48 H38 Au2 F6 N2 O6 P2 S2 -","- C96 H76 Au4 F12 N4 O12 P4 S4 -","2","1","","Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.","Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12448","12456","10.1039/d1dt02164h","","x-ray","0.71073","MoKα","","0.0769","0.0465","","","0.0941","0.102","","","","","","1.011","","","","has coordinates","269722","2021-10-06","15:40:08",""
"7708234","11.0607","0.0005","21.8487","0.001","22.2046","0.0011","90","","103.878","0.002","90","","5209.4","0.4","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Au2 F6 N2 O10 P2 S2 -","- C52 H42 Au2 F6 N2 O10 P2 S2 -","- C208 H168 Au8 F24 N8 O40 P8 S8 -","4","1","","Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.","Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12448","12456","10.1039/d1dt02164h","","x-ray","0.71073","MoKα","","0.0437","0.0334","","","0.075","0.0788","","","","","","1.056","","","","has coordinates,has disorder","269722","2021-10-06","15:40:17",""
"7708235","12.9143","0.0006","14.7849","0.0007","14.8938","0.0006","99.471","0.002","100.075","0.001","101.094","0.002","2689.2","0.2","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C50.5 H43 Au2 Cl F6 N2 O8 P2 S2 -","- C50.5 H43 Au2 Cl F6 N2 O8 P2 S2 -","- C101 H86 Au4 Cl2 F12 N4 O16 P4 S4 -","2","1","","Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.","Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12448","12456","10.1039/d1dt02164h","","x-ray","0.71073","MoKα","","0.0438","0.0326","","","0.0665","0.0708","","","","","","1.041","","","","has coordinates,has disorder","269722","2021-10-06","15:40:17",""
"7708236","13.7418","0.001","14.3338","0.0011","15.9801","0.0013","75.497","0.002","82.103","0.002","67.25","0.002","2807.4","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H42 Au2 F6 N2 O10 P2 S2 -","- C52 H42 Au2 F6 N2 O10 P2 S2 -","- C104 H84 Au4 F12 N4 O20 P4 S4 -","2","1","","Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.","Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12448","12456","10.1039/d1dt02164h","","x-ray","0.71073","MoKα","","0.111","0.0846","","","0.1882","0.1945","","","","","","1.215","","","","has coordinates,has disorder","269722","2021-10-06","15:40:17",""
"7708237","13.399","0.003","20.709","0.004","20.441","0.004","90","","90.35","0.03","90","","5672","2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Au2 F6 N2 O6 P2 S2 -","- C56 H54 Au2 F6 N2 O6 P2 S2 -","- C224 H216 Au8 F24 N8 O24 P8 S8 -","4","1","","Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.","Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12448","12456","10.1039/d1dt02164h","","x-ray","0.71073","MoKα","","0.0675","0.0427","","","0.0826","0.0875","","","","","","1.048","","","","has coordinates","269722","2021-10-06","15:40:17",""
"7708238","10.78074","0.00006","10.78074","0.00006","37.8196","0.0002","90","","90","","120","","3806.67","0.04","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Co0.5V7O28","- Ca10 Co0.5 O28 V7 -","- Ca9.92 Co0.58 O28 V7 -","- Ca59.52 Co3.48 O168 V42 -","6","0.333333","","rahimi mosafer, houri sadat; Paszkowicz, Wojciech; Minikayev, Roman; Kozłowski, Mirosław; Diduszko, Ryszard; Berkowski, Marek","Crystal structure and thermal expansion of novel substitutionally disordered Ca10TM0.5(VO4)7 (TM = Co, Cu) orthovanadates","Dalton Transactions","2021","","","","","10.1039/D1DT02446A","powder diffraction","","1.5406","","","","","","","","","","6.0612","1.48","","","","","","","has coordinates","269039","2021-09-07","22:59:11",""
"7708239","10.7871","0.00007","10.7871","0.00007","37.8997","0.0003","90","","90","","120","","3819.23","0.05","298","","298","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Cu0.5V7O28","- Ca10 Cu0.5 O28 V7 -","- Ca10.07 Cu0.43 O28 V7 -","- Ca60.42 Cu2.58 O168 V42 -","6","0.333333","","rahimi mosafer, houri sadat; Paszkowicz, Wojciech; Minikayev, Roman; Kozłowski, Mirosław; Diduszko, Ryszard; Berkowski, Marek","Crystal structure and thermal expansion of novel substitutionally disordered Ca10TM0.5(VO4)7 (TM = Co, Cu) orthovanadates","Dalton Transactions","2021","","","","","10.1039/D1DT02446A","powder diffraction","","1.5406","","","","","","","","","","6.2384","1.66","","","","","","","has coordinates","269039","2021-09-07","22:59:11",""
"7708240","7.0384","0.0003","13.0429","0.0006","12.7579","0.0006","90","","104.682","0.002","90","","1132.95","0.09","160","","160","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N11 O5 -","- C5 H9 N11 O5 -","- C20 H36 N44 O20 -","4","1","","Lei, Caijin; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids","Dalton Transactions","2021","","","","","10.1039/D1DT02854E","","","0.71073","MoKα","","0.0549","0.0411","","","0.1","0.111","","","","","","1.019","","","","has coordinates","269052","2021-09-08","22:53:07",""
"7708241","6.8113","0.0009","8.2072","0.001","8.5119","0.0012","108.619","0.005","109.314","0.005","92.75","0.005","419.23","0.1","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H6 N10 O -","- C5 H6 N10 O -","- C10 H12 N20 O2 -","2","1","","Lei, Caijin; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids","Dalton Transactions","2021","","","","","10.1039/D1DT02854E","","","0.71073","MoKα","","0.0782","0.0461","","","0.1013","0.1219","","","","","","1.031","","","","has coordinates","269052","2021-09-08","22:53:08",""
"7708242","6.5824","0.0011","9.6308","0.0011","11.1986","0.0016","77.516","0.004","75.288","0.004","89.243","0.003","669.76","0.17","160","","160","","","","","","","","","4","P -1","-P 1","2","","","","- C5 H11 N13 O7 -","- C5 H11 N13 O7 -","- C10 H22 N26 O14 -","2","1","","Lei, Caijin; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin","Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids","Dalton Transactions","2021","","","","","10.1039/D1DT02854E","","","0.71073","MoKα","","0.1151","0.072","","","0.177","0.2144","","","","","","1.049","","","","has coordinates","269052","2021-09-08","22:53:09",""
"7708243","7.5712","0.0004","8.6744","0.0005","9.2638","0.0004","73.154","0.005","74.104","0.005","68.138","0.005","530.9","0.05","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H36 N4 O2 Sn2 -","- C14 H36 N4 O2 Sn2 -","- C14 H36 N4 O2 Sn2 -","1","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.0304","0.0297","","","0.0792","0.0799","","","","","","1.103","","","","has coordinates","269053","2021-09-08","22:55:49",""
"7708244","9.2945","0.0003","11.9266","0.0004","10.7094","0.0004","90","","100.737","0.004","90","","1166.37","0.07","150","2","150","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H40 N4 O2 Sn2 -","- C16 H40 N4 O2 Sn2 -","- C32 H80 N8 O4 Sn4 -","2","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0462","0.0339","","","0.0538","0.0606","","","","","","1.036","","","","has coordinates","269053","2021-09-08","22:55:50",""
"7708245","8.1592","0.0003","13.8664","0.0005","14.1626","0.0005","90","","90","","90","","1602.34","0.1","150","2","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N2 O2 Sn -","- C12 H28 N2 O2 Sn -","- C48 H112 N8 O8 Sn4 -","4","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0283","0.0252","","","0.0422","0.043","","","","","","1.051","","","","has coordinates","269053","2021-09-08","22:55:50",""
"7708246","12.5872","0.0003","8.5519","0.0002","12.5367","0.0003","90","","100.094","0.003","90","","1328.62","0.06","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F12 N4 O2 Sn2 -","- C16 H28 F12 N4 O2 Sn2 -","- C32 H56 F24 N8 O4 Sn4 -","2","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.0461","0.0425","","","0.1049","0.1072","","","","","","1.062","","","","has coordinates","269053","2021-09-08","22:55:50",""
"7708247","20.5372","0.0001","12.1856","0.0001","14.3785","0.0001","90","","90","","90","","3598.34","0.04","150","2","150","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H60 N4 O2 Si4 Sn2 -","- C22 H60 N4 O2 Si4 Sn2 -","- C88 H240 N16 O8 Si16 Sn8 -","4","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.043","0.0426","","","0.1115","0.1119","","","","","","1.065","","","","has coordinates,has disorder","269053","2021-09-08","22:55:51",""
"7708248","6.7833","0.0001","17.2028","0.0001","8.1423","0.0001","90","","95.988","0.001","90","","944.955","0.019","150","2","150","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H32 N4 O2 Sn2 -","- C12 H32 N4 O2 Sn2 -","- C24 H64 N8 O4 Sn4 -","2","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.0183","0.0173","","","0.0431","0.0437","","","","","","1.048","","","","has coordinates","269053","2021-09-08","22:55:51",""
"7708249","18.5031","0.0002","8.2996","0.0001","12.5214","0.0002","90","","94.484","0.001","90","","1917","0.04","150","2","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 F12 N2 O2 Sn -","- C12 H16 F12 N2 O2 Sn -","- C48 H64 F48 N8 O8 Sn4 -","4","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.0353","0.0339","","","0.0894","0.0909","","","","","","1.044","","","","has coordinates,has disorder","269053","2021-09-08","22:55:51",""
"7708250","8.7579","0.0004","8.9319","0.0004","23.8923","0.0019","80.516","0.005","86.651","0.005","68.46","0.004","1714.68","0.18","150","2","150.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H56 N4 O2 Si4 Sn2 -","- C20 H56 N4 O2 Si4 Sn2 -","- C40 H112 N8 O4 Si8 Sn4 -","2","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0538","0.0443","","","0.0877","0.0894","","","","","","1.085","","","","has coordinates","269053","2021-09-08","22:55:51",""
"7708251","11.7352","0.0004","10.3182","0.0003","12.0111","0.0004","90","","95.166","0.003","90","","1448.47","0.08","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 N2 O2 Sn -","- C10 H24 N2 O2 Sn -","- C40 H96 N8 O8 Sn4 -","4","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0212","0.0195","","","0.0418","0.0424","","","","","","1.072","","","","has coordinates","269053","2021-09-08","22:55:51",""
"7708252","11.8081","0.0002","10.1306","0.0002","10.0735","0.0002","90","","90","","90","","1205.02","0.04","150","2","150","0.1","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C8 H20 N2 O2 Sn -","- C8 H20 N2 O2 Sn -","- C32 H80 N8 O8 Sn4 -","4","0.5","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0287","0.0255","","","0.0509","0.0521","","","","","","1.211","","","","has coordinates","269053","2021-09-08","22:55:51",""
"7708253","7.0613","0.0001","8.4848","0.0001","18.7724","0.0002","94.697","0.001","98.747","0.001","110.763","0.001","1028.16","0.02","150","2","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C12 H26 F6 N2 O Si2 Sn -","- C12 H26 F6 N2 O Si2 Sn -","- C24 H52 F12 N4 O2 Si4 Sn2 -","2","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","1.54184","CuKα","","0.0323","0.0323","","","0.0845","0.0845","","","","","","1.153","","","","has coordinates","269053","2021-09-08","22:55:51",""
"7708254","10.5495","0.0012","17.8137","0.0018","11.4884","0.0019","90","","96.879","0.003","90","","2143.4","0.5","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H19 N5 O10 Ru -","- C16 H19 N5 O10 Ru -","- C64 H76 N20 O40 Ru4 -","4","1","","Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.","Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02190g","","","0.71073","MoKα","","0.0675","0.0429","","","0.0669","0.0818","","","","","","1.084","","","","has coordinates","269072","2021-09-09","23:04:30",""
"7708255","10.3004","0.0009","16.2916","0.0012","11.4935","0.0009","90","","94.844","0.003","90","","1921.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N5 O10 Ru -","- C14 H15 N5 O10 Ru -","- C56 H60 N20 O40 Ru4 -","4","1","","Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.","Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02190g","","","0.71073","MoKα","","0.049","0.035","","","0.0753","0.0834","","","","","","1.054","","","","has coordinates","269072","2021-09-09","23:04:31",""
"7708256","12.8083","0.0005","15.1963","0.0006","21.7231","0.0009","90","","90","","90","","4228.2","0.3","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 N5 O10 Ru -","- C16 H19 N5 O10 Ru -","- C128 H152 N40 O80 Ru8 -","8","1","","Yakovlev, Ivan A.; Mikhailov, Artem A.; Eremina, Julia A.; Klyushova, Lyubov S.; Nadolinny, Vladimir A.; Kostin, Gennadiy A.","Nitric oxide release and related light-induced cytotoxicity of ruthenium nitrosyls with coordinated nicotinate derivatives.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02190g","","","0.71073","MoKα","","0.0696","0.0424","","","0.1033","0.1156","","","","","","1.077","","","","has coordinates","269072","2021-09-09","23:04:31",""
"7708257","9.3492","0.0003","18.3426","0.0007","13.7398","0.0005","90","","97.063","0.001","90","","2338.34","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cl N2 Pt -","- C30 H25 Cl N2 Pt -","- C120 H100 Cl4 N8 Pt4 -","4","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Luminescent halido(aryl) Pt(iv) complexes obtained via oxidative addition of iodobenzene or diaryliodonium salts to bis-cyclometalated Pt(ii) precursors","Dalton Transactions","2021","","","","","10.1039/D1DT02349G","","","0.71073","MoKα","","0.0181","0.016","","","0.0365","0.0374","","","","","","1.096","","","","has coordinates","269073","2021-09-09","23:05:42",""
"7708258","12.0157","0.0008","14.6749","0.0011","21.597","0.0015","82.664","0.003","77.421","0.003","73.664","0.003","3557.7","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H33 Cl F6 N3 P Pt -","- C36.5 H33 Cl F6 N3 P Pt -","- C146 H132 Cl4 F24 N12 P4 Pt4 -","4","2","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Luminescent halido(aryl) Pt(iv) complexes obtained via oxidative addition of iodobenzene or diaryliodonium salts to bis-cyclometalated Pt(ii) precursors","Dalton Transactions","2021","","","","","10.1039/D1DT02349G","","","0.71073","MoKα","","0.037","0.0295","","","0.07","0.0734","","","","","","1.026","","","","has coordinates","269073","2021-09-09","23:05:42",""
"7708259","12.4548","0.001","11.0478","0.0009","23.525","0.002","90","","99.262","0.003","90","","3194.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H35 Cl3 N2 Pt -","- C35 H35 Cl3 N2 Pt -","- C140 H140 Cl12 N8 Pt4 -","4","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Luminescent halido(aryl) Pt(iv) complexes obtained via oxidative addition of iodobenzene or diaryliodonium salts to bis-cyclometalated Pt(ii) precursors","Dalton Transactions","2021","","","","","10.1039/D1DT02349G","","","0.71073","MoKα","","0.0341","0.0293","","","0.0617","0.0634","","","","","","1.215","","","","has coordinates","269073","2021-09-09","23:05:42",""
"7708260","13.1925","0.001","9.5664","0.0007","22.7013","0.0018","90","","104.895","0.003","90","","2768.7","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 Cl2 F N2 O Pt -","- C31 H29 Cl2 F N2 O Pt -","- C124 H116 Cl8 F4 N8 O4 Pt4 -","4","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Luminescent halido(aryl) Pt(iv) complexes obtained via oxidative addition of iodobenzene or diaryliodonium salts to bis-cyclometalated Pt(ii) precursors","Dalton Transactions","2021","","","","","10.1039/D1DT02349G","","","0.71073","MoKα","","0.0301","0.0278","","","0.0669","0.0684","","","","","","1.056","","","","has coordinates","269073","2021-09-09","23:05:43",""
"7708261","9.442","0.002","18.463","0.004","14.194","0.003","90","","96.155","0.008","90","","2460.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 I N2 Pt -","- C30 H25 I N2 Pt -","- C120 H100 I4 N8 Pt4 -","4","1","","López-López, Juan-Carlos; Bautista, Delia; González-Herrero, Pablo","Luminescent halido(aryl) Pt(iv) complexes obtained via oxidative addition of iodobenzene or diaryliodonium salts to bis-cyclometalated Pt(ii) precursors","Dalton Transactions","2021","","","","","10.1039/D1DT02349G","","","0.71073","MoKα","","0.0288","0.0224","","","0.0451","0.0478","","","","","","1.13","","","","has coordinates","269073","2021-09-09","23:05:43",""
"7708262","10.6082","0.0002","15.4709","0.0003","28.6193","0.0005","90","","90","","90","","4696.95","0.15","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H35 Mn O3 P2 -","- C23 H35 Mn O3 P2 -","- C184 H280 Mn8 O24 P16 -","8","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.0414","0.0301","","","0.0696","0.0746","","","","","","1.003","","","","has coordinates","269074","2021-09-09","23:07:28",""
"7708263","13.4933","0.0018","25.671","0.003","38.134","0.005","86.404","0.005","87.601","0.004","79.813","0.004","12969","3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H39 Fe O4 P2 -","- C24 H39 Fe O4 P2 -","- C480 H780 Fe20 O80 P40 -","20","10","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.1698","0.0593","","","0.1446","0.1994","","","","","","0.996","","","","has coordinates,has disorder","269074","2021-09-09","23:07:29",""
"7708264","9.8863","0.0009","11.437","0.001","11.5482","0.001","90","","95.448","0.003","90","","1299.9","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H36 B F4 Mn O3 P2 -","- C23 H36 B F4 Mn O3 P2 -","- C46 H72 B2 F8 Mn2 O6 P4 -","2","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.0611","0.0411","","","0.0747","0.0816","","","","","","0.977","","","","has coordinates,has disorder","269074","2021-09-09","23:07:29",""
"7708265","10.9522","0.0013","16.06","0.002","15.927","0.002","90","","107.685","0.003","90","","2669","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Fe O2 P2 -","- C26 H43 Fe O2 P2 -","- C104 H172 Fe4 O8 P8 -","4","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.052","0.0324","","","0.0726","0.0792","","","","","","1.025","","","","has coordinates","269074","2021-09-09","23:07:29",""
"7708266","16.219","0.0015","13.5863","0.0012","21.3867","0.0019","90","","90","","90","","4712.7","0.7","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H35 Br Fe O2 P2 -","- C22 H35 Br Fe O2 P2 -","- C176 H280 Br8 Fe8 O16 P16 -","8","1","","Eder, Wolfgang; Himmelbauer, Daniel; Stöger, Berthold; Veiros, Luis F.; Pignitter, Marc; Kirchner, Karl","Manganese and Iron PCP Pincer Complexes ‒ The Influence of Sterics on Structure and Reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02407H","","","0.71073","MoKα","","0.0638","0.0318","","","0.0672","0.0787","","","","","","1.019","","","","has coordinates","269074","2021-09-09","23:07:29",""
"7708267","17.6826","0.0007","23.109","0.005","26.232","0.009","90","","102.869","0.012","90","","10450","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H72 Gd4 N8 O34 S24 -","- C72 H72 Gd4 N8 O34 S24 -","- C288 H288 Gd16 N32 O136 S96 -","4","1","","Hu, Jun-Jie; Li, Yu-Guang; Wen, He-Rui; Liu, Sui-Jun; Peng, Yan; Liu, Cai-Ming","Family of Lanthanide Metal-Organic Frameworks Based on Redox-Active Tetrathiafulvalene-Dicarboxylic Ligand Showing Slow Relaxation of Magnetisation and Electronic Conductivity","Dalton Transactions","2021","","","","","10.1039/D1DT01851E","","","0.71073","MoKα","","0.0877","0.0668","","","0.1765","0.2037","","","","","","1.04","","","","has coordinates","269075","2021-09-09","23:09:12",""
"7708268","17.6503","0.0005","23.0251","0.0006","26.1975","0.0007","90","","103.218","0.003","90","","10364.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 Dy4 N8 O34 S24 -","- C72 H72 Dy4 N8 O34 S24 -","- C288 H288 Dy16 N32 O136 S96 -","4","1","","Hu, Jun-Jie; Li, Yu-Guang; Wen, He-Rui; Liu, Sui-Jun; Peng, Yan; Liu, Cai-Ming","Family of Lanthanide Metal-Organic Frameworks Based on Redox-Active Tetrathiafulvalene-Dicarboxylic Ligand Showing Slow Relaxation of Magnetisation and Electronic Conductivity","Dalton Transactions","2021","","","","","10.1039/D1DT01851E","","","0.71073","MoKα","","0.0846","0.0539","","","0.1279","0.1489","","","","","","1.049","","","","has coordinates","269075","2021-09-09","23:09:12",""
"7708269","17.6786","0.0006","23.0569","0.0008","26.3088","0.0008","90","","103.037","0.003","90","","10447.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H67 N8 O34 S24 Tb4 -","- C72 H69 N8 O34 S24 Tb4 -","- C288 H276 N32 O136 S96 Tb16 -","4","1","","Hu, Jun-Jie; Li, Yu-Guang; Wen, He-Rui; Liu, Sui-Jun; Peng, Yan; Liu, Cai-Ming","Family of Lanthanide Metal-Organic Frameworks Based on Redox-Active Tetrathiafulvalene-Dicarboxylic Ligand Showing Slow Relaxation of Magnetisation and Electronic Conductivity","Dalton Transactions","2021","","","","","10.1039/D1DT01851E","","","0.71073","MoKα","","0.1281","0.072","","","0.1829","0.22","","","","","","1.034","","","","has coordinates","269075","2021-09-09","23:09:12",""
"7708270","17.6348","0.0005","23.0268","0.0005","26.0963","0.0006","90","","103.314","0.002","90","","10312.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H72 Er4 N8 O34 S24 -","- C72 H72 Er4 N8 O34 S24 -","- C288 H288 Er16 N32 O136 S96 -","4","1","","Hu, Jun-Jie; Li, Yu-Guang; Wen, He-Rui; Liu, Sui-Jun; Peng, Yan; Liu, Cai-Ming","Family of Lanthanide Metal-Organic Frameworks Based on Redox-Active Tetrathiafulvalene-Dicarboxylic Ligand Showing Slow Relaxation of Magnetisation and Electronic Conductivity","Dalton Transactions","2021","","","","","10.1039/D1DT01851E","","x-ray","0.71073","MoKα","","0.0749","0.0562","","","0.1377","0.1543","","","","","","1.06","","","","has coordinates","269075","2021-09-09","23:09:12",""
"7708271","16.8015","0.0019","21.405","0.003","26.184","0.003","90","","91.5032","0.0018","90","","9413","2","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C102 H156 N18 O18 Pd3 Si12 -","- C102 H156 N18.004 O18.012 Pd3 Si12 -","- C204 H312 N36.008 O36.024 Pd6 Si24 -","2","0.5","","Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Jung, Ok-Sang","Trimetallic coordination cage formation for nitrate encapsulation: transformation of kinetic into thermodynamic products","Dalton Transactions","2021","","","","","10.1039/D1DT02691G","","","0.71073","MoKα","","0.1443","0.0833","","","0.2232","0.2964","","","","","","1.11","","","","has coordinates,has disorder","269093","2021-09-10","22:57:24",""
"7708272","16.849","0.0018","20.917","0.002","27.059","0.003","90","","90.357","0.003","90","","9536.2","1.7","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C102 H156 Cl5 N13 O23 Pd3 Si12 -","- C102 H156 Cl5.102 N13 O23.408 Pd3 Si12 -","- C204 H312 Cl10.204 N26 O46.816 Pd6 Si24 -","2","0.5","","Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Jung, Ok-Sang","Trimetallic coordination cage formation for nitrate encapsulation: transformation of kinetic into thermodynamic products","Dalton Transactions","2021","","","","","10.1039/D1DT02691G","","","0.71073","MoKα","","0.2607","0.1739","","","0.3798","0.4468","","","","","","1.094","","","","has coordinates,has disorder","269093","2021-09-10","22:57:25",""
"7708273","21.2707","0.0011","23.0586","0.0012","31.8123","0.0019","90","","93.226","0.004","90","","15578.3","1.5","150","2","150.03","","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C154 H146 B4 Cl8 F16 N8 O2 P8 Pd4 -","- C152 H138 B2 Cl4 F8 N8 P8 Pd4 -","- C608 H552 B8 Cl16 F32 N32 P32 Pd16 -","4","1","","Alves, Kamilla; Honorato, João; Lião, Luciano Morais; Velozo-Sá, Vivianne de Souza; Pereira Mundim Guedes, Adriana; Dutra, Jocely de Lucena; Ayala, Alejandro Pedro; Ellena, Javier A.; Batista, Alzir A.; Gonçalves, Pablo José","Meso-tetra-(4-pyridyl)porphyrin/Palladium(II) Complexes as Anticancer Agents","Dalton Transactions","2021","","","","","10.1039/D1DT01850G","","x-ray","1.54178","CuKα","","0.1951","0.1466","","","0.3819","0.4253","","","","","","1.4768","","","","has coordinates","269094","2021-09-10","22:58:58",""
"7708274","8.72328","0.00002","8.72328","0.00002","8.72328","0.00002","90","","90","","90","","663.803","0.003","295","","200","2","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","","","- Co8 Ge26.07 Yb5.85 -","- Co8 Ge26.0456 Yb5.853 -","- Co8 Ge26.0456 Yb5.853 -","1","0.0416667","","Feig, Manuel; Akselrud, Lev; Motylenko, Mykhaylo; Bobnar, Matej; Wagler, Jörg; Kvashnina, Kristina O.; Levytskyi, Volodymyr; Rafaja, David; Leithe-Jasper, Andreas; Gumeniuk, Roman","Valence fluctuations in the 3D + 3 modulated Yb3Co4Ge13 Remeika phase","Dalton Transactions","2021","","","","","10.1039/D1DT01972D","","","0.71073","MoKα","","","0.0495","","","","0.0568","","","","","","1","","","","has coordinates","269119","2021-09-13","22:59:15",""
"7708275","23.96","0.002","5.0811","0.0004","27.877","0.004","90","","77.43","0.007","90","","3312.5","0.6","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 Al4 O37.64 P8 -","- C52 Al4 O37.48 P8 -","- C104 Al8 O74.96 P16 -","2","0.25","","Steinke, Felix; Javed, Ali; Wöhlbrandt, Stephan; Tiemann, Michael; Stock, Norbert","New isoreticular phosphonate MOFs based on a tetratopic linker","Dalton Transactions","2021","","","","","10.1039/D1DT02610K","powder diffraction","x-ray","1.5406","CuKa","","","","","","","","","0.0208","1.33019","","","","","","","has coordinates","269120","2021-09-13","23:00:11",""
"7708276","23.829","0.0018","5.101","0.0003","27.997","0.002","90","","77.264","0.006","90","","3319.4","0.4","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 Ga4 O40 P8 -","- C52 Ga4 O40 P8 -","- C104 Ga8 O80 P16 -","2","0.25","","Steinke, Felix; Javed, Ali; Wöhlbrandt, Stephan; Tiemann, Michael; Stock, Norbert","New isoreticular phosphonate MOFs based on a tetratopic linker","Dalton Transactions","2021","","","","","10.1039/D1DT02610K","powder diffraction","x-ray","1.5406","CuKa","","","","","","","","","0.0274","1.23709","","","","","","","has coordinates","269120","2021-09-13","23:00:11",""
"7708277","22.55","0.002","5.2256","0.0006","29.039","0.007","90","","78.153","0.007","90","","3349","0.9","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 Fe4 O32 P8 -","- C52 Fe4 O32 P8 -","- C104 Fe8 O64 P16 -","2","0.25","","Steinke, Felix; Javed, Ali; Wöhlbrandt, Stephan; Tiemann, Michael; Stock, Norbert","New isoreticular phosphonate MOFs based on a tetratopic linker","Dalton Transactions","2021","","","","","10.1039/D1DT02610K","powder diffraction","x-ray","1.5406","CuKa","","","","","","","","","0.0084","8.30812","","","","","","","has coordinates","269120","2021-09-13","23:00:11",""
"7708278","15.6096","0.0005","14.4751","0.0004","26.9444","0.0008","90","","102.457","0.002","90","","5944.8","0.3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 Al F36 O4 P3 -","- C52 H30 Al F36 O4 P3 -","- C208 H120 Al4 F144 O16 P12 -","4","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0979","0.078","","","0.2246","0.2477","","","","","","1.004","","","","has coordinates,has disorder","269121","2021-09-13","23:02:29",""
"7708279","12.004","0.002","12.394","0.002","16.153","0.003","78.675","0.005","81.665","0.005","78.894","0.005","2297.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H15 Al Cl F36 O4 P3 -","- C34 H15 Al Cl F36 O4 P3 -","- C68 H30 Al2 Cl2 F72 O8 P6 -","2","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.185","0.0818","","","0.1859","0.2409","","","","","","1.037","","","","has coordinates","269121","2021-09-13","23:02:29",""
"7708280","12.113","0.004","15.422","0.008","15.88","0.006","87.86","0.02","71.47","0.012","88.42","0.02","2810","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 Cl16 Ga4 P6 -","- C36 H30 Cl16 Ga4 P6 -","- C72 H60 Cl32 Ga8 P12 -","2","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0903","0.0719","","","0.1538","0.1618","","","","","","1.131","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708281","14.065","0.009","20.99","0.009","22.636","0.01","90","","90.18","0.03","90","","6683","6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H51 Al F36 N3 O4 Sb -","- C56 H51 Al F36 N3 O4 Sb -","- C224 H204 Al4 F144 N12 O16 Sb4 -","4","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0877","0.042","","","0.0879","0.0943","","","","","","0.842","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708282","36.379","0.002","14.4021","0.0007","27.8948","0.0014","90","","111.764","0.003","90","","13573.3","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H49 Al F39 Ga N3 O4 -","- C58 H49 Al F39 Ga N3 O4 -","- C464 H392 Al8 F312 Ga8 N24 O32 -","8","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0483","0.0434","","","0.1166","0.1201","","","","","","1.001","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708283","13.9157","0.0008","27.2818","0.0016","17.4384","0.001","90","","94.017","0.002","90","","6604.1","0.7","101","2","101","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Al Cl2 F37 Ga N3 O4 -","- C55 H48 Al Cl2 F37 Ga N3 O4 -","- C220 H192 Al4 Cl8 F148 Ga4 N12 O16 -","4","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0371","0.0332","","","0.0786","0.0804","","","","","","1.098","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708284","49.8991","0.0007","15.6251","0.0002","28.3883","0.0005","90","","102.823","0.001","90","","21581.7","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C86 H46 Al2 F72 Ga O8 P3 -","- C86 H46 Al2 F72 Ga O8 P3 -","- C688 H368 Al16 F576 Ga8 O64 P24 -","8","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0847","0.0549","","","0.137","0.1546","","","","","","1.086","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708285","20.0689","0.0008","20.7054","0.0007","22.4095","0.0008","90","","90","","90","","9311.9","0.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Al F36 O4 Rh -","- C36 H30 Al F36 O4 Rh -","- C288 H240 Al8 F288 O32 Rh8 -","8","1","","Schorpp, Marcel; Tamim, Razan; Krossing, Ingo","Oxidative Addition, Reduction and Reductive Coupling: The Versatile Reactivity of Subvalent Gallium Cations.","Dalton Transactions","2021","","","","","10.1039/D1DT02682H","","x-ray","0.71073","MoKα","","0.0375","0.031","","","0.0804","0.0863","","","","","","1.05","","","","has coordinates,has disorder","269121","2021-09-13","23:02:30",""
"7708286","10.4791","0.0009","15.2552","0.0013","15.7058","0.0013","117.4","0.001","99.525","0.001","90.438","0.001","2188.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cl N2 P Sn -","- C20 H28 Cl N2 P Sn -","- C80 H112 Cl4 N8 P4 Sn4 -","4","2","","Nakaya, Kazuki; Takahashi, Shintaro; Ishii, Akihiko; Boonpalit, Kajjana; Surawatanawong, Panida; Nakata, Norio","Hydroboration of Carbonyls and Imines by an Iminophosphonamido Tin(II) Precatalyst","Dalton Transactions","2021","","","","","10.1039/D1DT01856F","","","0.71073","MoKα","","0.0351","0.0302","","","0.0731","0.0751","","","","","","1.012","","","","has coordinates","269122","2021-09-13","23:03:29",""
"7708287","20.164","0.006","11.224","0.004","20.735","0.006","90","","117.18","0.007","90","","4175","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dimitry820b (Roman)","","","- C37 H73 Li O5 Si2 Sn -","- C37 H73 Li O5 Si2 Sn -","- C148 H292 Li4 O20 Si8 Sn4 -","4","1","","Bashkurov, Roman; Fridman, Natalia; Bravo-Zhivotovskii, Dmitry; apeloig, yitzhak","Synthesis, Isolation and Characterization of a Stable Lithium Stannenolate. A Keto or an Enol Tautomer?","Dalton Transactions","2021","","","","","10.1039/D1DT02843J","","","0.71073","MoKα","","0.1067","0.0453","","","0.082","0.1025","","","","","","0.975","","","","has coordinates","269123","2021-09-13","23:03:53",""
"7708288","28.6206","0.0004","7.38672","0.00013","8.17443","0.00013","90","","91.0315","0.0015","90","","1727.9","0.05","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","D-Ru(acac)(trop)2","","- C19 H17 O6 Ru -","- C19 H17 O6 Ru -","- C76 H68 O24 Ru4 -","4","1","","Yoshida, Jun; Yamazaki, Kana; Tateyama, Kazunori; Yuge, Hidetaka; Sato, Hisako","Chiroptical switching behavior of heteroleptic ruthenium complexes bearing acetylacetonato and tropolonato ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02592A","","","1.54184","CuKα","","0.0201","0.02","","","0.0521","0.0521","","","","","","1.103","","","","has coordinates","269137","2021-09-14","22:55:02",""
"7708289","28.5743","0.0004","7.3986","0.0001","8.1753","0.0001","90","","90.911","0.001","90","","1728.12","0.04","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","L-Ru(acac)(trop)2","","- C19 H17 O6 Ru -","- C19 H17 O6 Ru -","- C76 H68 O24 Ru4 -","4","1","","Yoshida, Jun; Yamazaki, Kana; Tateyama, Kazunori; Yuge, Hidetaka; Sato, Hisako","Chiroptical switching behavior of heteroleptic ruthenium complexes bearing acetylacetonato and tropolonato ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02592A","","x-ray","1.54184","CuKα","","0.0208","0.0199","","","0.0512","0.0515","","","","","","1.118","","","","has coordinates","269137","2021-09-14","22:55:03",""
"7708290","28.336","0.0012","10.567","0.0003","26.877","0.0009","90","","110.549","0.001","90","","7535.6","0.5","298.15","","298.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 F6 N5 O5 P Ru -","- C38 H36 F6 N5 O5 P Ru -","- C304 H288 F48 N40 O40 P8 Ru8 -","8","1","","Saraiva Vilas Boas de Almeida, Patrícia Saraiva Vilas Boas; de Arruda, Henrique Jefferson; Sousa, Gleyton Silva; Vitório, Felipe; França, José; Ferreira, Larissa; Guedes, Guilherme P.; Silva, Heveline; Kümmerle, Arthur Eugen; Neves, Amanda Porto","Cytotoxic evaluation and DNA interaction of RuII-bipy complexes containing coumarin-based ligands","Dalton Transactions","2021","","","","","10.1039/D1DT01567B","","","0.71073","MoKα","","0.052","0.036","","","0.0765","0.0839","","","","","","1.047","","","","has coordinates","269138","2021-09-14","22:55:28",""
"7708291","15.0231","0.0004","17.2324","0.0005","15.6619","0.0004","90","","99.737","0.001","90","","3996.21","0.19","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Cr2 Fe4 N4 O24 Tb2 -","- C78 H96 Cr2 Fe4 N4 O24 Tb2 -","- C156 H192 Cr4 Fe8 N8 O48 Tb4 -","2","0.5","","Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.","Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis","Dalton Transactions","2021","","","","","10.1039/D1DT02562G","","","0.71073","MoKα","","0.0563","0.0335","","","0.0788","0.0932","","","","","","0.974","","","","has coordinates,has disorder","269139","2021-09-14","22:56:47",""
"7708292","10.0901","0.0018","12.78","0.003","16.698","0.003","105.437","0.006","96.248","0.006","95.977","0.006","2043.2","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H96 Cr2 Fe4 N4 O24 Tb2 -","- C78 H96 Cr2 Fe4 N4 O24 Tb2 -","- C78 H96 Cr2 Fe4 N4 O24 Tb2 -","1","0.5","","Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.","Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis","Dalton Transactions","2021","","","","","10.1039/D1DT02562G","","","0.71073","MoKα","","0.1693","0.0691","","","0.129","0.1655","","","","","","0.946","","","","has coordinates,has disorder","269139","2021-09-14","22:56:47",""
"7708293","15.2812","0.0004","16.777","0.0005","15.8983","0.0005","90","","103.136","0.001","90","","3969.2","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Cr2 Dy2 Fe4 N4 O24 -","- C78 H96 Cr2 Dy2 Fe4 N4 O24 -","- C156 H192 Cr4 Dy4 Fe8 N8 O48 -","2","0.5","","Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.","Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis","Dalton Transactions","2021","","","","","10.1039/D1DT02562G","","","0.71073","MoKα","","0.0444","0.0316","","","0.0814","0.0928","","","","","","0.999","","","","has coordinates,has disorder","269139","2021-09-14","22:56:48",""
"7708294","15.2579","0.0005","16.7324","0.0005","15.9113","0.0005","90","","103.066","0.001","90","","3957","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Cr2 Fe4 Ho2 N4 O24 -","- C78 H96 Cr2 Fe4 Ho2 N4 O24 -","- C156 H192 Cr4 Fe8 Ho4 N8 O48 -","2","0.5","","Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.","Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis","Dalton Transactions","2021","","","","","10.1039/D1DT02562G","","","0.71073","MoKα","","0.0443","0.0302","","","0.0709","0.0785","","","","","","0.974","","","","has coordinates,has disorder","269139","2021-09-14","22:56:48",""
"7708295","14.9585","0.0004","17.2006","0.0005","15.665","0.0005","90","","99.728","0.001","90","","3972.6","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Cr2 Er2 Fe4 N4 O24 -","- C78 H96 Cr2 Er2 Fe4 N4 O24 -","- C156 H192 Cr4 Er4 Fe8 N8 O48 -","2","0.5","","Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.","Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis","Dalton Transactions","2021","","","","","10.1039/D1DT02562G","","","0.71073","MoKα","","0.0518","0.0309","","","0.0722","0.0842","","","","","","0.923","","","","has coordinates,has disorder","269139","2021-09-14","22:56:48",""
"7708296","15.0033","0.0005","17.1273","0.0005","15.6663","0.0005","90","","100.148","0.001","90","","3962.7","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Cr2 Fe4 N4 O24 Y2 -","- C78 H96 Cr2 Fe4 N4 O24 Y2 -","- C156 H192 Cr4 Fe8 N8 O48 Y4 -","2","0.5","","Koroteev, Pavel Sergeevich; Dobrohotova, Zhanna; Ilyukhin, Andrey; Belova, Ekaterina V.; Yaprynsev, Alexey D.; Rouzières, Mathieu; Clerac, Rodolphe; Efimov, N. N.","Tetranuclear Cr-Ln ferrocenecarboxylate complexes with defect-dicubane structure: synthesis, magnetism, and thermolysis","Dalton Transactions","2021","","","","","10.1039/D1DT02562G","","","0.71073","MoKα","","0.08","0.0381","","","0.0824","0.0971","","","","","","1.068","","","","has coordinates,has disorder","269139","2021-09-14","22:56:48",""
"7708297","9.1095","0.0008","9.058","0.0006","22.1933","0.0015","90","","97.765","0.006","90","","1814.5","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Co N2 O10 S2 -","- C12 H24 Co N2 O10 S2 -","- C48 H96 Co4 N8 O40 S8 -","4","1","","Korchagin, D. V.; Gureev, Ya. E.; Yureva, E. A.; Shilov, G. V.; Akimov, A. V.; Misochko, E. Ya.; Morgunov, R. B.; Zakharov, K. V.; Vasiliev, A. N.; Palii, A. V.; Lohmiller, T.; Holldack, K.; Aldoshin, S. M.","Field-induced single-ion magnet based on a quasi-octahedral Co(ii) complex with mixed sulfur‒oxygen coordination environment","Dalton Transactions","2021","","","","","10.1039/D1DT02413B","","","0.71073","MoKα","","0.0419","0.0331","","","0.0726","0.0762","","","","","","1.066","","","","has coordinates","269140","2021-09-14","22:57:31",""
"7708298","10.5002","0.0016","11.138","0.0016","12.5451","0.0018","103.803","0.004","109.918","0.004","96.736","0.005","1307.5","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H40 Eu2 N4 O19 -","- C36 H40 Eu2 N4 O19 -","- C36 H40 Eu2 N4 O19 -","1","0.5","","Zhao, Yuming; Liu, Jinhui; Wang, Sha; Zhai, Xu; Shao, Lei; Liu, Yunling; Zhang, Xuemin; Chen, Junyi; Meng, Fanbao; Fu, Yu","A dual-emissive europium-based metal‒organic framework for selective and sensitive detection of Fe3+ and Fe2+","Dalton Transactions","2021","","","","","10.1039/D1DT02249K","","","0.71073","MoKα","","0.0604","0.0548","","","0.1509","0.1565","","","","","","1.026","","","","has coordinates,has disorder","269141","2021-09-14","22:57:48",""
"7708299","16.554","0.003","21.628","0.003","31.264","0.005","86.26","0.007","85.845","0.007","82.804","0.007","11058","3","172.99","","172.99","","","","","","","","","7","P -1","-P 1","2","","","","- C256 H298 F9 N12 O43 Rh6 S3 -","- C201 H168 F9 N12 O33 Rh6 S3 -","- C402 H336 F18 N24 O66 Rh12 S6 -","2","1","","Dang, Li-Long; Li, Ting-Ting; Cui, Zheng; Dong, Sui; Ma, Lufang; Jin, Guo-Xin","Selective construction and stability studies of molecular trefoil knot and Solomon link","Dalton Transactions","2021","","","","","10.1039/D1DT02755G","","","1.34138","GaKα","","0.1155","0.1024","","","0.2846","0.298","","","","","","1.088","","","","has coordinates","269189","2021-09-17","22:56:34",""
"7708300","15.2553","0.0012","23.7162","0.0017","17.6798","0.0013","90","","108.105","0.009","90","","6079.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Cl8 N4 Ni2 O6 Si4 -","- C48 H60 Cl8 N4 Ni2 O6 Si4 -","- C192 H240 Cl32 N16 Ni8 O24 Si16 -","4","1","","Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria","Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt01980e","","x-ray","0.71073","MoKα","","0.1354","0.0727","","","0.1202","0.1474","","","","","","1.043","","","","has coordinates,has disorder","269191","2021-09-17","22:58:08",""
"7708301","15.4499","0.0013","23.9712","0.0014","17.9196","0.0012","90","","109.483","0.008","90","","6256.6","0.8","180","0.1","180","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Br8 N4 Ni2 O6 Si4 -","- C48 H60 Br8 N4 Ni2 O6 Si4 -","- C192 H240 Br32 N16 Ni8 O24 Si16 -","4","1","","Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria","Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt01980e","","x-ray","0.71073","MoKα","","0.1203","0.0514","","","0.0656","0.0843","","","","","","0.888","","","","has coordinates,has disorder","269191","2021-09-17","22:58:08",""
"7708302","20.1918","0.0012","12.57","0.0009","26.0592","0.0014","90","","103.639","0.006","90","","6427.6","0.7","180.05","0.1","180.05","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H62 Cl10 Cu2 N4 O6 Si4 -","- C49 H62 Cl10 Cu2 N4 O6 Si4 -","- C196 H248 Cl40 Cu8 N16 O24 Si16 -","4","1","","Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria","Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt01980e","","x-ray","0.71073","MoKα","","0.1042","0.0598","","","0.1066","0.1239","","","","","","1.039","","","","has coordinates,has disorder","269191","2021-09-17","22:58:08",""
"7708303","15.6914","0.0009","17.4652","0.0007","19.6006","0.0008","99.587","0.003","104.598","0.004","109.175","0.004","4723.6","0.4","180.05","0.1","180.05","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C73 H92 Cl14 N6 O9 Si6 Zn3 -","- C73 H92 Cl14 N6 O9 Si6 Zn3 -","- C146 H184 Cl28 N12 O18 Si12 Zn6 -","2","1","","Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria","Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt01980e","","x-ray","0.71073","MoKα","","0.1254","0.0823","","","0.1568","0.1753","","","","","","1.099","","","","has coordinates,has disorder","269191","2021-09-17","22:58:09",""
"7708304","15.6932","0.0007","17.4257","0.001","19.5315","0.0009","99.44","0.004","104.592","0.004","109.205","0.005","4699.7","0.5","180.1","0.2","180.1","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H92 Cl14 Co3 N6 O9 Si6 -","- C73 H92 Cl14 Co3 N6 O9 Si6 -","- C146 H184 Cl28 Co6 N12 O18 Si12 -","2","1","","Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria","Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt01980e","","x-ray","0.71073","MoKα","","0.1127","0.0515","","","0.0659","0.0845","","","","","","0.838","","","","has coordinates","269191","2021-09-17","22:58:09",""
"7708305","14.9833","0.0018","14.3565","0.0011","26.913","0.002","90","","96.812","0.01","90","","5748.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H68 Cu2 N4 O10 Si4 -","- C48 H68 Cu2 N4 O10 Si4 -","- C192 H272 Cu8 N16 O40 Si16 -","4","1","","Damoc, Madalin; Stoica, Alexandru-Constantin; Dascalu, Mihaela; Asandulesa, Mihai; Shova, Sergiu; Cazacu, Maria","Dual crystalline-amorphous salen-metal complexes behave like nematic droplets with AIEgens vistas.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt01980e","","x-ray","0.71073","MoKα","","0.2303","0.0656","","","0.0774","0.1242","","","","","","0.822","","","","has coordinates","269191","2021-09-17","22:58:09",""
"7708306","9.8283","0.0002","13.4869","0.0003","15.1621","0.0003","84.231","0.002","82.229","0.002","77.488","0.002","1938.76","0.07","130","2","130","2","","","","","","","","3","P -1","-P 1","2","Hepta-tert-butyl-nonaphosphine(7)","'1,3,3',4,4',5,5'-Hepta-tert-butyl-nonaphosphine(7)'","","- C28 H63 P9 -","- C28 H63 P9 -","- C56 H126 P18 -","2","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0316","0.0245","","","0.059","0.0623","","","","","","1.062","","","","has coordinates","269192","2021-09-17","23:00:13",""
"7708307","13.0038","0.0003","18.2142","0.0004","16.2394","0.0004","90","","108.89","0.003","90","","3639.21","0.16","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H56 P8 -","- C25 H56 P8 -","- C100 H224 P32 -","4","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0884","0.045","","","0.1033","0.1231","","","","","","1.013","","","","has coordinates","269192","2021-09-17","23:00:14",""
"7708308","14.0171","0.0002","23.7666","0.0003","16.2734","0.0002","90","","100.957","0.001","90","","5322.47","0.12","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H81 P12 Sb -","- C36 H81 P12 Sb -","- C144 H324 P48 Sb4 -","4","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0827","0.0363","","","0.0549","0.0594","","","","","","0.801","","","","has coordinates","269192","2021-09-17","23:00:14",""
"7708309","8.8751","0.0002","15.4665","0.0003","11.1923","0.0003","90","","105.434","0.003","90","","1480.93","0.06","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H51 Li N2 O P4 -","- C22 H51 Li N2 O P4 -","- C44 H102 Li2 N4 O2 P8 -","2","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0491","0.0384","","","0.0798","0.0861","","","","","","1.028","","","","has coordinates","269192","2021-09-17","23:00:15",""
"7708310","14.0955","0.0002","23.8832","0.0003","16.1985","0.0002","90","","100.896","0.001","90","","5354.84","0.12","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H81 Bi P12 -","- C36 H81 Bi P12 -","- C144 H324 Bi4 P48 -","4","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0533","0.0359","","","0.0654","0.071","","","","","","1.023","","","","has coordinates","269192","2021-09-17","23:00:15",""
"7708311","9.0335","0.0004","13.333","0.0004","16.5876","0.0006","68.09","0.003","83.488","0.003","81.416","0.003","1829.17","0.12","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H54 As Cl P8 -","- C24 H54 As Cl P8 -","- C48 H108 As2 Cl2 P16 -","2","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0621","0.0415","","","0.0741","0.0797","","","","","","1.121","","","","has coordinates,has disorder","269192","2021-09-17","23:00:15",""
"7708312","13.834","0.0002","23.4873","0.0002","16.4233","0.0002","90","","101.098","0.001","90","","5236.52","0.11","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H81 As P12 -","- C36 H81 As P12 -","- C144 H324 As4 P48 -","4","1","","Eilrich, Volker Jens; Grell, Toni; Lönnecke, Peter; Hey-Hawkins, Evamarie","Facile synthesis of cyclo-(P4tBu3)-containing oligo- and pnictaphosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT02639A","","","0.71073","MoKα","","0.0577","0.0348","","","0.0678","0.076","","","","","","1.044","","","","has coordinates","269192","2021-09-17","23:00:15",""
"7708313","6.1685","0.0004","8.884","0.0006","9.1876","0.0007","90","","90","","90","","503.49","0.06","100.15","","100.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C H4 B Gd O7 -","- C H4 B Gd O7 -","- C4 H16 B4 Gd4 O28 -","4","0.5","","Liu, Bo-Liang; Xu, Qiao-Fei; Long, La-Sheng; Zheng, Lan-Sun","A Gd-based borate-carbonate framework exhibiting a large magnetocaloric effect at a low magnetic field.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12831","12834","10.1039/d1dt02624k","","","1.54184","CuKα","","0.0516","0.0467","","","0.1371","0.1426","","","","","","1.154","","","","has coordinates","269697","2021-10-06","15:28:55",""
"7708314","11.105","0.003","14.464","0.004","21.847","0.006","108.546","0.004","91.177","0.005","106.531","0.005","3165.5","1.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cu3 N6 O31 -","- C64 H56 Cu3 N6 O31 -","- C128 H112 Cu6 N12 O62 -","2","1","","Liu, Xiaxia; Lu, Liping; Zhu, Miaoli; Englert, Ulli","Design and synthesis of three new copper coordination polymers: efficient degradation of an organic dye at alkaline pH.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02463a","","","0.71073","MoKα","","0.0826","0.0609","","","0.159","0.1733","","","","","","1.035","","","","has coordinates,has disorder","269194","2021-09-17","23:01:45",""
"7708315","11.0926","0.0008","11.813","0.001","13.5433","0.0011","100.887","0.002","101.653","0.002","102.1","0.002","1649.2","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H54 Cu3 N12 O28 -","- C70 H54 Cu3 N12 O28 -","- C70 H54 Cu3 N12 O28 -","1","0.5","","Liu, Xiaxia; Lu, Liping; Zhu, Miaoli; Englert, Ulli","Design and synthesis of three new copper coordination polymers: efficient degradation of an organic dye at alkaline pH.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02463a","","","0.71073","MoKα","","0.079","0.0616","","","0.1714","0.1833","","","","","","1.034","","","","has coordinates","269194","2021-09-17","23:01:46",""
"7708316","10.606","0.005","11.116","0.005","13.624","0.006","86.015","0.014","71.042","0.014","74.841","0.013","1466","1.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Cu N4 O14 -","- C29 H24 Cu N4 O14 -","- C58 H48 Cu2 N8 O28 -","2","1","","Liu, Xiaxia; Lu, Liping; Zhu, Miaoli; Englert, Ulli","Design and synthesis of three new copper coordination polymers: efficient degradation of an organic dye at alkaline pH.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02463a","","","0.71073","MoKα","","0.069","0.0482","","","0.116","0.1279","","","","","","1.035","","","","has coordinates","269194","2021-09-17","23:01:46",""
"7708317","14.785","0.003","26.13","0.005","15.368","0.003","90","","108.44","0.03","90","","5632","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C107 H111 Br6 N17 O21 Pd3 -","- C89.96 H72.92 Br6 N13 O14.48 Pd3 -","- C179.92 H145.84 Br12 N26 O28.96 Pd6 -","2","1","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.71073","MoKα","","0.1244","0.0703","","","0.1705","0.1935","","","","","","1.016","","","","has coordinates,has disorder","269195","2021-09-17","23:04:09",""
"7708318","14.312","0.003","25.965","0.005","15.502","0.003","90","","107.69","0.03","90","","5488","2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C210 H210 Cl12 N30 O42 Pd6 -","- C181 H149 Cl12 N27 O29 Pd6 -","- C181 H149 Cl12 N27 O29 Pd6 -","1","0.5","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.71073","MoKα","","0.1063","0.0602","","","0.1108","0.1257","","","","","","0.979","","","","has coordinates,has disorder","269195","2021-09-17","23:04:10",""
"7708319","31.691","0.004","31.691","0.004","31.686","0.006","90","","90","","90","","31823","8","103","2","103","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C416 H384 F36 N48 O103 Pd6 S16 -","- C340 H240 F12 N48 O60 Pd6 S4 -","- C680 H480 F24 N96 O120 Pd12 S8 -","2","0.125","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.9","synchrotron","","0.2314","0.1578","","","0.3837","0.4487","","","","","","1.389","","","","has coordinates","269195","2021-09-17","23:04:10",""
"7708320","17.007","0.003","18.398","0.004","21.837","0.004","90.09","0.03","107.51","0.03","116.28","0.03","5770","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H88 I12 N14 O16 Pd3 -","- C97.5041 H90.0082 I7.0082 N15 O17 Pd3 -","- C195.008 H180.016 I14.0164 N30 O34 Pd6 -","2","1","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.63","synchrotron","","0.1435","0.0848","","","0.2644","0.2971","","","","","","1.074","","","","has coordinates,has disorder","269195","2021-09-17","23:04:10",""
"7708321","31.903","0.004","31.903","0.004","31.903","0.004","90","","90","","90","","32471","7","100","2","100","2","","","","","","","","8","P n -3 n :2","-P 4a 2bc 3","222","","","","- C402 H386 B12 F48 N48 O68 Pd6 S7 -","- C336 H240 B F4 N48 O48 Pd6 -","- C672 H480 B2 F8 N96 O96 Pd12 -","2","0.0416667","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.85","synchrotron","","0.2902","0.207","","","0.4881","0.5498","","","","","","1.573","","","","has coordinates,has disorder","269195","2021-09-17","23:04:10",""
"7708322","17.2568","0.0007","22.2766","0.0009","25.6771","0.0011","90","","93.894","0.003","90","","9848.1","0.7","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C93 H88 Br2.63 I3.37 N12 O17 Pd3 S4 -","- C84 H60 Br2.633 I3.367 N12 O12 Pd3 -","- C336 H240 Br10.532 I13.468 N48 O48 Pd12 -","4","1","","Lee, Haeri; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Interconversion between Pd3L2 trigonal prism and Pd6L8 cube via anion exchange: binding affinity of monoatomic vs. polyatomic anions","Dalton Transactions","2021","","","","","10.1039/D1DT00859E","","","0.71073","MoKα","","0.1347","0.065","","","0.1504","0.1823","","","","","","1.021","","","","has coordinates,has disorder","269195","2021-09-17","23:04:11",""
"7708323","9.037","0.0008","11.9459","0.0011","14.22","0.0013","72.514","0.002","73.088","0.002","69.414","0.002","1340.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H16 Cd N4 O8 -","- C32 H16 Cd N4 O8 -","- C64 H32 Cd2 N8 O16 -","2","1","","Li, Gao-Peng; Zhu, Huihui; Hao, Pengfei; Shen, Junju; Fu, Yunlong","The modulation effect of carboxylic acid ligands on the electron transfer photochromism of naphthalene diimide-derived coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT02358F","","","0.71073","MoKα","","0.0242","0.0226","","","0.0609","0.0618","","","","","","1.063","","","","has coordinates","269196","2021-09-17","23:06:34",""
"7708324","18.933","0.006","11.39","0.004","28.638","0.009","90","","90","","90","","6176","4","296.15","","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H22 Cd N4 O9 -","- C38 H22 Cd N4 O9 -","- C304 H176 Cd8 N32 O72 -","8","1","","Li, Gao-Peng; Zhu, Huihui; Hao, Pengfei; Shen, Junju; Fu, Yunlong","The modulation effect of carboxylic acid ligands on the electron transfer photochromism of naphthalene diimide-derived coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT02358F","","","0.71073","MoKα","","0.0528","0.0324","","","0.0728","0.082","","","","","","1.02","","","","has coordinates","269196","2021-09-17","23:06:34",""
"7708325","7.8636","0.0002","8.651","0.0003","12.3167","0.0003","92.507","0.002","97.146","0.002","114.756","0.003","750.69","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cd0.5 N2 O5 -","- C18 H11 Cd0.5 N2 O5 -","- C36 H22 Cd N4 O10 -","2","1","","Li, Gao-Peng; Zhu, Huihui; Hao, Pengfei; Shen, Junju; Fu, Yunlong","The modulation effect of carboxylic acid ligands on the electron transfer photochromism of naphthalene diimide-derived coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT02358F","","","1.54178","CuKα","","0.0343","0.0341","","","0.0862","0.0865","","","","","","1.059","","","","has coordinates","269196","2021-09-17","23:06:34",""
"7708326","10.1715","0.0007","13.7543","0.001","18.1085","0.0013","87.319","0.002","84.683","0.002","70.671","0.002","2380","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H28 Cd N9 O15 -","- C56 H28 Cd N9 O15 -","- C112 H56 Cd2 N18 O30 -","2","1","","Li, Gao-Peng; Zhu, Huihui; Hao, Pengfei; Shen, Junju; Fu, Yunlong","The modulation effect of carboxylic acid ligands on the electron transfer photochromism of naphthalene diimide-derived coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT02358F","","","0.71073","MoKα","","0.0476","0.0346","","","0.0727","0.0778","","","","","","1.055","","","","has coordinates","269196","2021-09-17","23:06:35",""
"7708327","13.2579","0.0004","23.3768","0.0007","33.8574","0.001","90","","99.999","0.001","90","","10333.9","0.5","235","2","235","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Ho4 N8 O75 Si W12 -","- C56 H62 Ho4 N8 O75 Si W12 -","- C224 H248 Ho16 N32 O300 Si4 W48 -","4","1","","Babaei Zarch, Malihe; Mirzaei, Masoud; Bazargan, Maryam; Gupta, Sandeep K.; Meyer, Franc; Mague, Joel T.","Dalton technical issue “Lanthanide and transition metal complexes as molecular magnets Single-molecule magnets within polyoxometalate-based frameworks","Dalton Transactions","2021","","","","","10.1039/D1DT01708J","","","0.71073","MoKα","","0.0616","0.0444","","","0.0872","0.0965","","","","","","1.033","","","","has coordinates,has disorder","269197","2021-09-17","23:07:34",""
"7708328","33.4692","0.0015","13.8243","0.0006","21.0185","0.001","90","","97.518","0.001","90","","9641.4","0.8","235","2","235","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 N8 O71 Si Tb4 W12 -","- C56 H54 N8 O71 Si Tb4 W12 -","- C224 H216 N32 O284 Si4 Tb16 W48 -","4","1","","Babaei Zarch, Malihe; Mirzaei, Masoud; Bazargan, Maryam; Gupta, Sandeep K.; Meyer, Franc; Mague, Joel T.","Dalton technical issue “Lanthanide and transition metal complexes as molecular magnets Single-molecule magnets within polyoxometalate-based frameworks","Dalton Transactions","2021","","","","","10.1039/D1DT01708J","","","0.71073","MoKα","","0.0905","0.0633","","","0.1226","0.1321","","","","","","1.126","","","","has coordinates,has disorder","269197","2021-09-17","23:07:37",""
"7708329","5.9584","0.0003","11.7691","0.0007","12.0851","0.0006","110.95","0.005","97.265","0.005","94.237","0.005","778.58","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cu4 I8 N4 S2 -","- C16 H14 Cu4 I8 N4 S2 -","- C16 H14 Cu4 I8 N4 S2 -","1","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02230J","","x-ray","0.71073","MoKα","","0.05","0.0362","","","0.0891","0.0946","","","","","","1.027","","","","has coordinates","269198","2021-09-17","23:08:26",""
"7708330","15.4877","0.0005","13.3252","0.0004","18.3914","0.0007","90","","90","","90","","3795.6","0.2","296.15","","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H26 Cu3 I5 N4 S2 -","- C36 H26 Cu3 I5 N4 S2 -","- C144 H104 Cu12 I20 N16 S8 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02230J","","","0.71073","MoKα","","0.0505","0.0346","","","0.0536","0.0599","","","","","","1.065","","","","has coordinates","269198","2021-09-17","23:08:27",""
"7708331","15.4744","0.0007","13.3303","0.0005","17.5587","0.0008","90","","90","","90","","3622","0.3","296.15","","296.15","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C32 H24 Cu3 I5 N4 S2 -","- C32 H24 Cu3 I5 N4 S2 -","- C128 H96 Cu12 I20 N16 S8 -","4","0.5","","Li, Meng-Hua; You, Ming-Hua; Lin, Mei-Jin","Encapsulating third donors into D‒A hybrid heterostructures to form three-component charge-transfer complexes for enhanced electrical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02230J","","","0.71073","MoKα","","0.0781","0.0682","","","0.1555","0.1632","","","","","","1.075","","","","has coordinates","269198","2021-09-17","23:08:27",""
"7708332","8.8842","0.0001","14.3691","0.0002","14.3324","0.0001","90","","99.262","0.001","90","","1805.79","0.04","120","0.1","120","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H92 Li2 N6 O6 Zn2 -","- C80 H92 Li2 N6 O6 Zn2 -","- C80 H92 Li2 N6 O6 Zn2 -","1","0.5","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","1.54178","CuKα","","0.0505","0.0494","","","0.1347","0.1359","","","","","","1.114","","","","has coordinates,has disorder","269199","2021-09-17","23:10:02",""
"7708333","14.027","0.0008","17.4139","0.0007","8.5193","0.0003","90","","90","","90","","2080.96","0.16","120.01","0.13","120.01","0.13","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C48 H38 B N9 O6 Zn2 -","- C48 H38 B N9 O6 Zn2 -","- C96 H76 B2 N18 O12 Zn4 -","2","0.5","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","0.71073","MoKα","","0.0698","0.0537","","","0.1225","0.1306","","","","","","1.09","","","","has coordinates,has disorder","269199","2021-09-17","23:10:03",""
"7708334","10.756","0.003","15.008","0.004","17.229","0.005","90","","90","","90","","2781.2","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B2 Li2 N6 O2 -","- C26 H32 B2 Li2 N6 O2 -","- C104 H128 B8 Li8 N24 O8 -","4","1","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","","0.6889","synchrotron","","0.0882","0.0584","","","0.1251","0.1425","","","","","","1.086","","","","has coordinates","269199","2021-09-17","23:10:03",""
"7708335","29.6035","0.0015","10.2616","0.0005","20.0024","0.001","90","","91.66","0.002","90","","6073.8","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H41 Li N6 Zn -","- C31 H41 Li N6 Zn -","- C248 H328 Li8 N48 Zn8 -","8","1","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","","0.71073","MoKα","","0.04","0.0307","","","0.0808","0.0869","","","","","","1.023","","","","has coordinates","269199","2021-09-17","23:10:03",""
"7708336","11.3465","0.0005","15.5769","0.0006","18.7091","0.0009","90","","106.863","0.005","90","","3164.5","0.3","120","0.11","120","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Li N3 O3 Zn -","- C34 H42 Li N3 O3 Zn -","- C136 H168 Li4 N12 O12 Zn4 -","4","1","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","0.71073","MoKα","","0.0775","0.044","","","0.0961","0.1105","","","","","","1.015","","","","has coordinates,has disorder","269199","2021-09-17","23:10:03",""
"7708337","9.8368","0.0002","14.6402","0.0002","14.2478","0.0002","90","","105.724","0.002","90","","1975.08","0.06","120.01","0.13","120.01","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 Zn -","- C23 H21 N3 Zn -","- C92 H84 N12 Zn4 -","4","1","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","0.71073","MoKα","","0.0397","0.0312","","","0.0669","0.0698","","","","","","1.083","","","","has coordinates","269199","2021-09-17","23:10:03",""
"7708338","20.7441","0.0004","14.2785","0.0002","17.5264","0.0003","90","","106.317","0.002","90","","4982.13","0.15","120","0.13","120","0.13","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C57 H39 D9 N9 Zn3 -","- C57 H39 D9 N9 Zn3 -","- C228 H156 D36 N36 Zn12 -","4","1","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","x-ray","0.71073","MoKα","","0.0586","0.0395","","","0.0814","0.0879","","","","","","1.045","","","","has coordinates,has disorder","269199","2021-09-17","23:10:04",""
"7708339","19.6865","0.0006","32.1696","0.001","15.3982","0.0004","90","","110.634","0.002","90","0.002","9126.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H117 Co2 Ge17 K6 N19 O12 -","- C36 H117 Co2 Ge17 K6 N19 O12 -","- C144 H468 Co8 Ge68 K24 N76 O48 -","4","1","","Wallach, Chistoph; Selic, Yasmin; Witzel, Benedikt; Klein, Wilhelm; Fässler, Thomas F","Filled Trivacant Icosahedra as Building Fragments in 17-atomic Endohedral Germanides [TM2@Ge17]n- (TM = Co, Ni)","Dalton Transactions","2021","","","","","10.1039/D1DT03078G","","","0.71073","MoKα","","0.0683","0.0472","","","0.1053","0.1142","","","","","","1.027","","","","has coordinates","269200","2021-09-17","23:11:24",""
"7708340","12.4142","0.0014","16.1395","0.0017","25.212","0.003","72.851","0.009","89.887","0.009","70.505","0.009","4524","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H135 Co Ge10 K3 N15 O18 -","- C54 H135 Co Ge10 K3 N15 O18 -","- C108 H270 Co2 Ge20 K6 N30 O36 -","2","1","","Wallach, Chistoph; Selic, Yasmin; Witzel, Benedikt; Klein, Wilhelm; Fässler, Thomas F","Filled Trivacant Icosahedra as Building Fragments in 17-atomic Endohedral Germanides [TM2@Ge17]n- (TM = Co, Ni)","Dalton Transactions","2021","","","","","10.1039/D1DT03078G","","","0.71073","MoKα","","0.1618","0.0757","","","0.1682","0.211","","","","","","0.902","","","","has coordinates","269200","2021-09-17","23:11:24",""
"7708341","27.862","0.0005","16.517","0.0003","27.949","0.0005","90","","117.46","0.001","90","","11412.9","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H76 Ge8.5 K2 N5 Ni O12 -","- C37 H76 Ge8.5 K2 N5 Ni O12 -","- C296 H608 Ge68 K16 N40 Ni8 O96 -","8","1","","Wallach, Chistoph; Selic, Yasmin; Witzel, Benedikt; Klein, Wilhelm; Fässler, Thomas F","Filled Trivacant Icosahedra as Building Fragments in 17-atomic Endohedral Germanides [TM2@Ge17]n- (TM = Co, Ni)","Dalton Transactions","2021","","","","","10.1039/D1DT03078G","","","0.71073","MoKα","","0.0896","0.0734","","","0.16","0.1728","","","","","","1.07","","","","has coordinates","269200","2021-09-17","23:11:24",""
"7708342","12.9043","0.0003","10.9889","0.0003","15.1867","0.0006","90","","110.338","0.003","90","","2019.28","0.11","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 F6 O6 P2 S2 Sn -","- C8 H18 F6 O6 P2 S2 Sn -","- C32 H72 F24 O24 P8 S8 Sn4 -","4","1","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.061","0.0429","","","0.0975","0.1034","","","","","","1.052","","","","has coordinates","269201","2021-09-17","23:13:00",""
"7708343","11.4007","0.0002","11.8465","0.0001","23.9749","0.0003","90","","90","","90","","3238.01","0.07","293","2","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H18 F6 O3 P2 S Sn -","- C7 H18 F6 O3 P2 S Sn -","- C56 H144 F48 O24 P16 S8 Sn8 -","8","1","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.0305","0.0236","","","0.0518","0.0546","","","","","","1.014","","","","has coordinates","269201","2021-09-17","23:13:00",""
"7708344","13.4971","0.0004","7.6953","0.0002","10.7894","0.0003","90","","97.81","0.002","90","","1110.24","0.05","293","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C F8 O3 S Sn3 -","- C F8 O3 S Sn3 -","- C4 F32 O12 S4 Sn12 -","4","1","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.0517","0.0363","","","0.0749","0.0797","","","","","","1.03","","","","has coordinates","269201","2021-09-17","23:13:01",""
"7708345","13.8624","0.0002","12.9086","0.0002","20.5379","0.0004","90","","98.735","0.0017","90","","3632.51","0.11","293","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 F4 P3 Sn -","- C41 H39 F4 P3 Sn -","- C164 H156 F16 P12 Sn4 -","4","1","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.0481","0.0329","","","0.0724","0.0774","","","","","","1.035","","","","has coordinates","269201","2021-09-17","23:13:01",""
"7708346","6.3696","0.0004","7.2222","0.0004","7.2263","0.0003","117.933","0.005","91.612","0.004","109.045","0.005","271.02","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C10 F4 N2 Sn -","- C10 F4 N2 Sn -","- C10 F4 N2 Sn -","1","0.5","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.0672","0.0671","","","0.2114","0.2115","","","","","","1.182","","","","has coordinates","269201","2021-09-17","23:13:01",""
"7708347","9.4615","0.0003","11.2482","0.0003","15.4968","0.0005","90.899","0.003","103.213","0.003","101.93","0.003","1567.47","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C11 H12 Cl2 F4 N2 O2 Sn -","- C11 H12 Cl2 F4 N2 O2 Sn -","- C44 H48 Cl8 F16 N8 O8 Sn4 -","4","2","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","","0.71073","MoKα","","0.0676","0.0552","","","0.1555","0.162","","","","","","1.083","","","","has coordinates","269201","2021-09-17","23:13:01",""
"7708348","13.7031","0.0003","15.6126","0.0004","18.1412","0.0004","69.74","0.002","70.468","0.002","76.875","0.002","3404.2","0.15","100.01","0.1","100.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C74 H60 F8 O10 P4 S2 Sn -","- C74 H60 F8 O10 P4 S2 Sn -","- C148 H120 F16 O20 P8 S4 Sn2 -","2","1","","King, Rhus P.; Woodward, Madeleine; Grigg, Julian; McRobbie, Graeme; Levason, William; Reid, Gillian","Tin(IV) fluoride complexes with neutral phosphine coordination and comparisons with hard N- and O-donor ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02948G","","x-ray","0.71073","MoKα","","0.0663","0.0469","","","0.116","0.1301","","","","","","1.02","","","","has coordinates","269201","2021-09-17","23:13:01",""
"7708349","15.0053","0.0004","15.5613","0.0003","14.1623","0.0003","90","","98.952","0.002","90","","3266.64","0.13","123","0.1","123","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H53 Co Mg N2 -","- C39 H53 Co Mg N2 -","- C156 H212 Co4 Mg4 N8 -","4","0.5","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0346","0.0339","","","0.0922","0.093","","","","","","1.06","","","","has coordinates","269222","2021-09-20","22:59:12",""
"7708350","11.6935","0.0003","14.9701","0.0004","16.3882","0.0004","91.301","0.002","106.295","0.002","109.225","0.002","2578.95","0.12","122.94","0.15","122.94","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C57 H87.47 Co Mg N2 O4 -","- C57 H89 Co Mg N2 O4 -","- C114 H178 Co2 Mg2 N4 O8 -","2","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0471","0.0451","","","0.1169","0.1188","","","","","","1.033","","","","has coordinates,has disorder","269222","2021-09-20","22:59:12",""
"7708351","19.3913","0.0004","16.0799","0.0004","24.4772","0.0006","90","","90","","90","","7632.2","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H65 Co Mg N2 -","- C45 H65 Co Mg N2 -","- C360 H520 Co8 Mg8 N16 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0583","0.0434","","","0.1009","0.109","","","","","","1.026","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708352","21.8957","0.0008","12.5578","0.0004","41.1155","0.0011","90","","96.235","0.003","90","","11238.3","0.6","123","0.1","123","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C56 H86 Co Mg N2 O P4 -","- C56 H85 Co Mg N2 O P4 -","- C448 H680 Co8 Mg8 N16 O8 P32 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0664","0.059","","","0.155","0.1623","","","","","","1.031","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708353","16.8079","0.0004","20.4351","0.0004","11.637","0.0003","90","","90","","90","","3996.97","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C43 H63 Co Mg N2 P2 -","- C43 H63 Co Mg N2 P2 -","- C172 H252 Co4 Mg4 N8 P8 -","4","0.5","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0577","0.0558","","","0.1371","0.1384","","","","","","1.1","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708354","24.9829","0.0002","18.9262","0.0002","16.1632","0.0002","90","","98.11","0.001","90","","7566.04","0.14","123.01","0.1","123.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H51 Co Mg N2 P6 -","- C35 H51 Co Mg N2 P6 -","- C280 H408 Co8 Mg8 N16 P48 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.027","0.0264","","","0.0692","0.0697","","","","","","1.037","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708355","10.8784","0.0004","16.6782","0.0006","16.6923","0.0007","103.677","0.003","104.369","0.003","94.547","0.003","2819.8","0.2","123","0.1","123","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C62 H87 Co Mg N8 -","- C62 H87 Co Mg N8 -","- C124 H174 Co2 Mg2 N16 -","2","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.034","0.0324","","","0.086","0.0873","","","","","","1.049","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708356","11.6971","0.0001","13.9203","0.0001","33.1444","0.0002","90","","90","","90","","5396.81","0.07","123","0.1","123","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H45 Co Ni P2 -","- C28 H45 Co Ni P2 -","- C224 H360 Co8 Ni8 P16 -","8","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.026","0.0246","","","0.0663","0.0669","","","","","","1.068","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708357","9.0634","0.0001","13.9493","0.0002","27.4651","0.0005","90","","92.341","0.002","90","","3469.46","0.09","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H57 Co Mg N2 -","- C41 H57 Co Mg N2 -","- C164 H228 Co4 Mg4 N8 -","4","1","","Kelly, John A.; Gramüller, Johannes; Gschwind, Ruth M.; Wolf, Robert","Low-oxidation state cobalt‒magnesium complexes: ion-pairing and reactivity","Dalton Transactions","2021","","","","","10.1039/D1DT02621F","","x-ray","1.54184","CuKα","","0.0328","0.0299","","","0.076","0.0777","","","","","","1.056","","","","has coordinates","269222","2021-09-20","22:59:13",""
"7708358","11.6924","0.0004","12.8898","0.0004","13.8753","0.0004","96.547","0.001","100.241","0.001","113.931","0.001","1840.25","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","Dy2(HL)2(SCN)2].2CH3CN-(1)","","- C76 H74 Dy2 N12 O6 S2 -","- C76 H74 Dy2 N12 O6 S2 -","- C76 H74 Dy2 N12 O6 S2 -","1","0.5","","Wu, Jinjiang; Li, Xiao-Lei; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Coordination anion effects on the geometry and magnetic interaction of binuclear Dy2 single-molecule magnets","Dalton Transactions","2021","","","","","10.1039/D1DT02071D","","","1.54178","CuKα","","0.0597","0.0552","","","0.1539","0.1595","","","","","","1.072","","","","has coordinates","269223","2021-09-20","23:00:47",""
"7708359","14.6039","0.0009","15.8167","0.0009","16.5425","0.001","90","","107.585","0.002","90","","3642.5","0.4","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Dy2(HL)2(NO3)2].2CH3CN.2H2O (2)","","- C74 H74 Dy2 N12 O14 -","- C74 H74 Dy2 N12 O14 -","- C148 H148 Dy4 N24 O28 -","2","0.5","","Wu, Jinjiang; Li, Xiao-Lei; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui","Coordination anion effects on the geometry and magnetic interaction of binuclear Dy2 single-molecule magnets","Dalton Transactions","2021","","","","","10.1039/D1DT02071D","","","0.71073","MoKα","","0.0284","0.0227","","","0.0521","0.0561","","","","","","1.151","","","","has coordinates","269223","2021-09-20","23:00:48",""
"7708360","8.465","0.0005","8.7788","0.0007","21.9237","0.0014","90","","90","","90","","1629.21","0.19","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Al B H2 O10 Se3 -","- Al B H2 O10 Se3 -","- Al8 B8 H16 O80 Se24 -","8","1","","Cao, Ming-Yang; Hu, Chun-Li; Kong, Fang; Xiong, Zheyao; Mao, Jiang-Gao","M(B(SeO3)3)H2O(M = Al, Ga):The first boroselenites with a unique sandwich like double-layer structure","Dalton Transactions","2021","","","","","10.1039/D1DT02890A","","","0.71073","MoKα","","0.0334","0.0275","","","0.0545","0.0563","","","","","","1.122","","","","has coordinates","269224","2021-09-20","23:01:22",""
"7708361","8.5773","0.0005","8.8445","0.0005","22.0195","0.0013","90","","90","","90","","1670.44","0.17","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- B Ga H2 O10 Se3 -","- B Ga H2 O10 Se3 -","- B8 Ga8 H16 O80 Se24 -","8","1","","Cao, Ming-Yang; Hu, Chun-Li; Kong, Fang; Xiong, Zheyao; Mao, Jiang-Gao","M(B(SeO3)3)H2O(M = Al, Ga):The first boroselenites with a unique sandwich like double-layer structure","Dalton Transactions","2021","","","","","10.1039/D1DT02890A","","","0.71073","MoKα","","0.0272","0.023","","","0.0545","0.0565","","","","","","1.074","","","","has coordinates","269224","2021-09-20","23:01:23",""
"7708362","10.4587","0.0002","11.4422","0.0002","13.8472","0.0003","77.296","0.002","83.66","0.002","72.785","0.002","1542.29","0.06","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H30 B Br N6 O2 W -","- C32 H30 B Br N6 O2 W -","- C64 H60 B2 Br2 N12 O4 W2 -","2","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","1.54184","CuKα","","0.0272","0.0259","","","0.0688","0.0702","","","","","","1.043","","","","has coordinates","269225","2021-09-20","23:05:29",""
"7708363","16.12","0.003","16.92","0.003","18.522","0.004","85.8","0.03","70.72","0.03","68.87","0.03","4442","2","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H48 B2 Br2 N12 O4 Pt S6 W2 -","- C58 H48 B2 Br2 N12 O4 Pt S6 W2 -","- C116 H96 B4 Br4 N24 O8 Pt2 S12 W4 -","2","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","","0.710762","Synchrotron","","0.0951","0.0616","","","0.1639","0.1846","","","","","","0.911","","","","has coordinates","269225","2021-09-20","23:05:29",""
"7708364","16.7252","0.0007","10.8608","0.0003","14.7832","0.0007","90","","115.75","0.005","90","","2418.7","0.2","149.99","0.1","149.99","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B Br N6 O2 W -","- C26 H18 B Br N6 O2 W -","- C104 H72 B4 Br4 N24 O8 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","0.71073","MoKα","","0.0314","0.0249","","","0.0472","0.0502","","","","","","1.036","","","","has coordinates","269225","2021-09-20","23:05:29",""
"7708365","11.1569","0.0002","21.6614","0.0004","23.2713","0.0004","90","","101.286","0.002","90","","5515.31","0.17","150","0.1","150","0.1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C53 H37 B2 Br2 Cl3 N12 O4 Pt W2 -","- C53 H37 B2 Br2 Cl3 N12 O4 Pt W2 -","- C212 H148 B8 Br8 Cl12 N48 O16 Pt4 W8 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","0.71073","MoKα","","0.0586","0.0375","","","0.0829","0.095","","","","","","1.098","","","","has coordinates","269225","2021-09-20","23:05:30",""
"7708366","16.076","0.003","16.868","0.003","18.561","0.004","85.74","0.03","70.68","0.03","69.06","0.03","4431","2","100","0.2","100","0.2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H48 B2 Br2 N12 O4 Pd S6 W2 -","- C58 H48 B2 Br2 N12 O4 Pd S6 W2 -","- C116 H96 B4 Br4 N24 O8 Pd2 S12 W4 -","2","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","","0.710762","Synchrotron","","0.1537","0.1091","","","0.2793","0.3226","","","","","","0.89","","","","has coordinates","269225","2021-09-20","23:05:30",""
"7708367","17.0117","0.0002","18.7902","0.0002","19.9613","0.0002","63.632","0.001","68.565","0.001","69.686","0.001","5189.06","0.11","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C45.5 H41.5 B2 Cl4.5 Mo N12 O4 W -","- C45.5 H41.25 B2 Cl4.5 Mo N12 O4 W -","- C182 H165 B8 Cl18 Mo4 N48 O16 W4 -","4","2","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","1.54184","CuKα","","0.0395","0.0362","","","0.0927","0.0954","","","","","","1.042","","","","has coordinates,has disorder","269225","2021-09-20","23:05:30",""
"7708368","10.324","0.002","14.829","0.003","17.015","0.003","84.43","0.03","90","0.03","80.97","0.03","2560.2","0.9","100","0.2","100","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H46 B2 Mo N12 O4 S3 W -","- C47 H46 B2 Mo N12 O4 S3 W -","- C94 H92 B4 Mo2 N24 O8 S6 W2 -","2","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","","0.710762","Synchrotron","","0.111","0.0747","","","0.1948","0.2384","","","","","","1.083","","","","has coordinates","269225","2021-09-20","23:05:30",""
"7708369","9.4825","0.0003","15.3301","0.0004","22.6473","0.0007","90","","93.208","0.003","90","","3287.03","0.17","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B Br N6 O2 S3 W -","- C29 H24 B Br N6 O2 S3 W -","- C116 H96 B4 Br4 N24 O8 S12 W4 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","1.54184","CuKα","","0.0719","0.0565","","","0.1442","0.159","","","","","","1.038","","","","has coordinates","269225","2021-09-20","23:05:30",""
"7708370","11.5661","0.0004","21.7317","0.0007","22.265","0.0007","90","","102.146","0.003","90","","5471.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 B2 Br2 N12 O4 Pd W2 -","- C52 H36 B2 Br2 N12 O4 Pd W2 -","- C208 H144 B8 Br8 N48 O16 Pd4 W8 -","4","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","0.71073","MoKα","","0.0564","0.0405","","","0.0881","0.0952","","","","","","1.034","","","","has coordinates","269225","2021-09-20","23:05:30",""
"7708371","10.2052","0.0002","16.3844","0.0005","17.038","0.0004","100.999","0.002","93.54","0.002","92.309","0.002","2787.24","0.12","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H42.5 B2 Cl7.5 N12 O4 W2 -","- C46.5 H42.5 B2 Cl7.5 N12 O4 W2 -","- C93 H85 B4 Cl15 N24 O8 W4 -","2","1","","Hill, Anthony; Frogley, Benjamin; Welsh, Steven S.","Symmetric and Non-symmetric Anthracen-diyl Bis(alkylidynes)","Dalton Transactions","2021","","","","","10.1039/D1DT02537F","","x-ray","1.54184","CuKα","","0.0662","0.0551","","","0.1306","0.1364","","","","","","1.089","","","","has coordinates,has disorder","269225","2021-09-20","23:05:30",""
"7708372","9.845","0.002","19.536","0.004","32.429","0.007","90","","94.32","0.03","90","","6219","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H94 Al O6 Y -","- C68 H94 Al O6 Y -","- C272 H376 Al4 O24 Y4 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.1122","0.0998","","","0.2581","0.2733","","","","","","1.04","","","","has coordinates","269230","2021-09-21","22:54:14",""
"7708373","23.753","0.005","12.686","0.003","19.936","0.004","90","","103.5","0.03","90","","5841","2","100","2","100.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H89 O6 Y -","- C66 H89 O6 Y -","- C264 H356 O24 Y4 -","4","0.5","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0491","0.047","","","0.1262","0.1289","","","","","","1.039","","","","has coordinates,has disorder","269230","2021-09-21","22:54:15",""
"7708374","13.254","0.003","17.6","0.004","28.387","0.006","90","","93.72","0.03","90","","6608","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 O10 Y -","- C70 H109 O10 Y -","- C280 H436 O40 Y4 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0719","0.0539","","","0.1255","0.1365","","","","","","1.034","","","","has coordinates,has disorder","269230","2021-09-21","22:54:15",""
"7708375","13.158","0.003","16.671","0.003","22.238","0.004","70.76","0.03","76.21","0.03","68.48","0.03","4246","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H130 Dy2 O9 -","- C95 H130 Dy2 O9 -","- C190 H260 Dy4 O18 -","2","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0464","0.0379","","","0.0972","0.1026","","","","","","1.049","","","","has coordinates,has disorder","269230","2021-09-21","22:54:15",""
"7708376","12.386","0.003","14.465","0.003","17.062","0.003","106.74","0.03","106.42","0.03","93.08","0.03","2777.4","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H85 O6 Y -","- C61 H85 O6 Y -","- C122 H170 O12 Y2 -","2","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0492","0.0413","","","0.1052","0.1104","","","","","","1.03","","","","has coordinates,has disorder","269230","2021-09-21","22:54:15",""
"7708377","13.212","0.003","17.539","0.004","28.459","0.006","90","","93.44","0.03","90","","6583","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 Dy O10 -","- C70 H109 Dy O10 -","- C280 H436 Dy4 O40 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0581","0.0511","","","0.1408","0.1473","","","","","","1.056","","","","has coordinates,has disorder","269230","2021-09-21","22:54:16",""
"7708378","16.725","0.003","16.41","0.003","24.286","0.005","90","","108.39","0.03","90","","6325","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H49 Al O3 -","- C35 H49 Al O3 -","- C280 H392 Al8 O24 -","8","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0584","0.0486","","","0.1304","0.1391","","","","","","1.028","","","","has coordinates,has disorder","269230","2021-09-21","22:54:16",""
"7708379","13.176","0.003","17.631","0.004","28.491","0.006","90","","93.5","0.03","90","","6606","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 Nd O10 -","- C70 H109 Nd O10 -","- C280 H436 Nd4 O40 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.1965","0.1274","","","0.2981","0.3659","","","","","","1.274","","","","has coordinates,has disorder","269230","2021-09-21","22:54:16",""
"7708380","13.2","0.003","17.53","0.004","28.42","0.006","90","","93.32","0.03","90","","6565","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 O10 Tm -","- C70 H109 O10 Tm -","- C280 H436 O40 Tm4 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0512","0.0463","","","0.1228","0.1271","","","","","","1.05","","","","has coordinates,has disorder","269230","2021-09-21","22:54:16",""
"7708381","13.228","0.003","17.675","0.004","28.481","0.006","90","","94.11","0.03","90","","6642","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 Gd O10 -","- C70 H109 Gd O10 -","- C280 H436 Gd4 O40 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.04","0.0352","","","0.0858","0.0888","","","","","","1.039","","","","has coordinates,has disorder","269230","2021-09-21","22:54:16",""
"7708382","13.21","0.003","17.49","0.004","28.4","0.006","90","","93.23","0.03","90","","6551","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 Lu O10 -","- C70 H109 Lu O10 -","- C280 H436 Lu4 O40 -","4","1","","Shephard, Angus; Ali, Safaa; Wang, Jun; Guo, Zhifang; Davies, Murray S.; Deacon, Glen B.; Junk, Peter Courtney","New lanthanoid biphenolate complexes, their further reactivity with trimethylaluminium and catalytic activity for the polymerisation of rac-lactide","Dalton Transactions","2021","","","","","10.1039/D1DT02513A","","","0.71073","Synchrotron","","0.0803","0.0602","","","0.1598","0.1776","","","","","","1.083","","","","has coordinates,has disorder","269230","2021-09-21","22:54:16",""
"7708383","16.6981","0.0005","16.6981","0.0005","22.3503","0.0008","90","","90","","120","","5396.9","0.3","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H48 Au3 Cl Fe2 N18 O11 -","- C66 H48 Au3 Cl1.0002 Fe2 N18 O10.9998 -","- C198 H144 Au9 Cl3.0006 Fe6 N54 O32.9994 -","3","0.166667","","Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio","On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization","Dalton Transactions","2021","","","","","10.1039/D1DT02632A","","","0.71073","MoKα","","0.1089","0.0586","","","0.1133","0.134","","","","","","1.013","","","","has coordinates","269231","2021-09-21","22:56:13",""
"7708384","16.6621","0.0011","16.6621","0.0011","22.4615","0.001","90","","90","","120","","5400.4","0.6","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C66 H48 Au3 Cl Co2 N18 O11 -","- C66 H48 Au3 Cl1.0002 Co2 N18 O10.9998 -","- C198 H144 Au9 Cl3.0006 Co6 N54 O32.9994 -","3","0.166667","","Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio","On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization","Dalton Transactions","2021","","","","","10.1039/D1DT02632A","","","0.71073","MoKα","","0.068","0.0368","","","0.0728","0.0846","","","","","","1.026","","","","has coordinates","269231","2021-09-21","22:56:14",""
"7708385","16.4529","0.0006","16.4529","0.0006","22.4374","0.0014","90","","90","","120","","5260","0.4","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C66 H73 Au3 N18 Ni2 O13 -","- C66 H73.0008 Au3 N18 Ni2 O13 -","- C198 H219.002 Au9 N54 Ni6 O39 -","3","0.166667","","Priola, Emanuele; Giordana, Alessia; Mazzeo, Paolo Pio; Mahmoudi, Ghodrat; Gomila, Rosa Maria; Zubkov, Fedor Ivanovich; Pokazeev, Kuzma M.; Valchuk, karine S.; Bacchi, Alessia; Zangrando, Ennio; Frontera, Antonio","On the nature of recurrent Au···π motifs in tris(2,2’-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization","Dalton Transactions","2021","","","","","10.1039/D1DT02632A","","","0.71073","MoKα","","0.0739","0.041","","","0.0942","0.1093","","","","","","1.099","","","","has coordinates","269231","2021-09-21","22:56:14",""
"7708386","23.0481","0.0003","23.0481","0.0003","47.9933","0.0008","90","","90","","90","","25494.8","0.6","297.54","","297.54","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C65 H39 Ce3 N4.5 O29 P4.5 -","- C65 H39 Ce3 N4.5 O29 P4.5 -","- C520 H312 Ce24 N36 O232 P36 -","8","1","","Wang, Meng; Gao, Hong-Wei; Li, Jin Xiao; Bai, Fengying; Xing, Yongheng; Shi, Zhan","Multifunctional luminescence sensing and white light adjustment of lanthanide metal-organic frameworks constructed from the flexible cyclotriphosphazene-derived hexacarboxylic acid ligand","Dalton Transactions","2021","","","","","10.1039/D1DT02560K","","","0.71073","MoKα","","0.0675","0.043","","","0.102","0.1135","","","","","","1.026","","","","has coordinates","269232","2021-09-21","22:57:39",""
"7708387","23.1017","0.0014","23.1017","0.0014","47.068","0.004","90","","90","","90","","25120","3","297.54","","297.54","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C65 H39 Eu3 N4.5 O29 P4.5 -","- C65 H39 Eu3 N4.5 O29 P4.5 -","- C520 H312 Eu24 N36 O232 P36 -","8","1","","Wang, Meng; Gao, Hong-Wei; Li, Jin Xiao; Bai, Fengying; Xing, Yongheng; Shi, Zhan","Multifunctional luminescence sensing and white light adjustment of lanthanide metal-organic frameworks constructed from the flexible cyclotriphosphazene-derived hexacarboxylic acid ligand","Dalton Transactions","2021","","","","","10.1039/D1DT02560K","","","0.71073","MoKα","","0.0716","0.0474","","","0.1183","0.1317","","","","","","1.014","","","","has coordinates","269232","2021-09-21","22:57:41",""
"7708388","23.0966","0.0008","23.0966","0.0008","47.2483","0.0016","90","","90","","90","","25204.7","1.5","297.54","","297.54","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C65 H39 N4.5 O29 P4.5 Sm3 -","- C65 H39 N4.5 O29 P4.5 Sm3 -","- C520 H312 N36 O232 P36 Sm24 -","8","1","","Wang, Meng; Gao, Hong-Wei; Li, Jin Xiao; Bai, Fengying; Xing, Yongheng; Shi, Zhan","Multifunctional luminescence sensing and white light adjustment of lanthanide metal-organic frameworks constructed from the flexible cyclotriphosphazene-derived hexacarboxylic acid ligand","Dalton Transactions","2021","","","","","10.1039/D1DT02560K","","","0.71073","MoKα","","0.0707","0.0464","","","0.1158","0.1285","","","","","","1.022","","","","has coordinates","269232","2021-09-21","22:57:41",""
"7708389","11.9557","0.0003","11.9557","0.0003","7.962","0.0004","90","","90","","90","","1138.08","0.07","293","","293","","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- Cl9 O4 Pb8 Rb -","- Cl9 O4 Pb8 Rb -","- Cl18 O8 Pb16 Rb2 -","2","0.25","","Fan, Zhongxu; Bai, Chen; Shi, Hongsheng; Zhang, Min; Zhang, Bei; Zhang, Jun; Li, Junjie","RbPb<sub>8</sub>O<sub>4</sub>Cl<sub>9</sub>: the first alkali metal lead oxyhalide with distorted [PbO<sub>3</sub>Cl<sub>3</sub>] and [PbOCl<sub>5</sub>] mixed-anion groups.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02665h","","","0.71073","MoKα","","0.0381","0.0325","","","0.0756","0.0825","","","","","","1.096","","","","has coordinates,has disorder","269270","2021-09-23","23:09:03",""
"7708390","15.88","0.0004","12.7849","0.0003","16.1773","0.0004","90","","90","","90","","3284.38","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cu2 Eu I4 O8 -","- C16 H40 Cu2 Eu I4 O8 -","- C64 H160 Cu8 Eu4 I16 O32 -","4","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Rogozhin, Anton F.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantsev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Luminescence thermochromism in novel mixed Eu(ii)‒Cu(i) iodide","Dalton Transactions","2021","","","","","10.1039/D1DT02384E","","","0.71073","MoKα","","0.0515","0.0475","","","0.1151","0.118","","","","","","1.034","","","","has coordinates,has disorder","269271","2021-09-23","23:09:31",""
"7708391","16.0747","0.0008","12.9699","0.0006","16.3759","0.001","90","","90","","90","","3414.2","0.3","280","2","280","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H40 Cu2 Eu I4 O8 -","- C16 H40 Cu2 Eu I4 O8 -","- C64 H160 Cu8 Eu4 I16 O32 -","4","1","","Ilichev, Vasily A.; Silantyeva, Liubov I.; Rogozhin, Anton F.; Yablonskiy, Artem N.; Andreev, Boris A.; Rumyantsev, Roman V.; Fukin, Georgy K.; Bochkarev, Mikhail N.","Luminescence thermochromism in novel mixed Eu(ii)‒Cu(i) iodide","Dalton Transactions","2021","","","","","10.1039/D1DT02384E","","","0.71073","MoKα","","0.0655","0.048","","","0.1052","0.1153","","","","","","1.048","","","","has coordinates,has disorder","269271","2021-09-23","23:09:32",""
"7708392","9.7375","0.0017","5.1423","0.0009","25.972","0.005","90","","95.23","0.005","90","","1295.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Mahanta, Sanjeev Pran; Choudhury, Diganta; Das, Rituraj; Talukdar, Dhrubajyoti; Sarma, Plaban Jyoti; Kuilya, Hemrupa; Thakuria, Ranjit","Colorimetric detection of fluoride ion in aqueous medium by thiourea derivatives: a transition metal ion assisted approach","Dalton Transactions","2021","","","","","10.1039/D1DT02173G","","","0.71073","MoKα","","0.0659","0.0418","","","0.1036","0.1192","","","","","","1.025","","","","has coordinates","269272","2021-09-23","23:09:56",""
"7708393","12.2027","0.001","7.3419","0.0006","15.7431","0.0013","90","","112.224","0.002","90","","1305.66","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","","Mahanta, Sanjeev Pran; Choudhury, Diganta; Das, Rituraj; Talukdar, Dhrubajyoti; Sarma, Plaban Jyoti; Kuilya, Hemrupa; Thakuria, Ranjit","Colorimetric detection of fluoride ion in aqueous medium by thiourea derivatives: a transition metal ion assisted approach","Dalton Transactions","2021","","","","","10.1039/D1DT02173G","","","0.71073","MoKα","","0.0395","0.0344","","","0.0939","0.0983","","","","","","1.047","","","","has coordinates","269272","2021-09-23","23:09:57",""
"7708394","13.3975","0.0008","20.5591","0.0013","8.7407","0.0005","90","","90.615","0.003","90","","2407.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Mn2 N4 O4 -","- C24 H26 Mn2 N4 O4 -","- C96 H104 Mn8 N16 O16 -","4","1","","Brousses, Rémy; Maurel, Vincent; Mouesca, Jean-Marie; César, Vincent; Lugan, Noël; Valyaev, Dmitry A.","Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments","Dalton Transactions","2021","","","","","10.1039/D1DT02182F","","x-ray","0.71073","MoKα","","0.0439","0.0406","","","0.1036","0.1054","","","","","","1.097","","","","has coordinates","269273","2021-09-23","23:11:18",""
"7708395","8.16","0.005","11.501","0.005","11.72","0.005","88.848","0.005","76.657","0.005","74.499","0.005","1030.3","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 B F4 Mn N2 O2 -","- C20 H21 B F4 Mn N2 O2 -","- C40 H42 B2 F8 Mn2 N4 O4 -","2","1","","Brousses, Rémy; Maurel, Vincent; Mouesca, Jean-Marie; César, Vincent; Lugan, Noël; Valyaev, Dmitry A.","Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments","Dalton Transactions","2021","","","","","10.1039/D1DT02182F","","","0.71073","MoKα","","0.0237","0.0229","","","0.0582","0.0593","","","","","","1.024","","","","has coordinates","269273","2021-09-23","23:11:21",""
"7708396","23.385","0.005","22.343","0.005","13.538","0.005","90","","119.785","0.005","90","","6139","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 B F4 Mn N2 O2 -","- C28 H29 B F4 Mn N2 O2 -","- C224 H232 B8 F32 Mn8 N16 O16 -","8","1","","Brousses, Rémy; Maurel, Vincent; Mouesca, Jean-Marie; César, Vincent; Lugan, Noël; Valyaev, Dmitry A.","Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments","Dalton Transactions","2021","","","","","10.1039/D1DT02182F","","x-ray","0.71073","MoKα","","0.076","0.0639","","","0.1712","0.1792","","","","","","1.036","","","","has coordinates","269273","2021-09-23","23:11:28",""
"7708397","6.506","0.005","15.326","0.005","14.777","0.005","90","0.005","90.876","0.005","90","0.005","1473.3","1.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H26 B2 F8 Mn2 N4 O4 -","- C24 H26 B2 F8 Mn2 N4 O4 -","- C48 H52 B4 F16 Mn4 N8 O8 -","2","1","","Brousses, Rémy; Maurel, Vincent; Mouesca, Jean-Marie; César, Vincent; Lugan, Noël; Valyaev, Dmitry A.","Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments","Dalton Transactions","2021","","","","","10.1039/D1DT02182F","","","0.71073","MoKα","","0.0552","0.0473","","","0.1255","0.1342","","","","","","1.035","","","","has coordinates","269273","2021-09-23","23:11:28",""
"7708398","11.5587","0.0005","10.2736","0.0004","15.053","0.0006","90","","98.434","0.002","90","","1768.2","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Mn N2 O2 -","- C20 H21 Mn N2 O2 -","- C80 H84 Mn4 N8 O8 -","4","1","","Brousses, Rémy; Maurel, Vincent; Mouesca, Jean-Marie; César, Vincent; Lugan, Noël; Valyaev, Dmitry A.","Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments","Dalton Transactions","2021","","","","","10.1039/D1DT02182F","","x-ray","0.71073","MoKα","","0.0263","0.0231","","","0.072","0.0773","","","","","","0.983","","","","has coordinates","269273","2021-09-23","23:11:28",""
"7708399","10.8464","0.0015","14.884","0.002","17.856","0.002","83.794","0.002","74.377","0.002","78.081","0.002","2712.1","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H75 Cu7 N12 O54 P5 W11 -","- C84 H74 Cu7 N12 O54 P5 W11 -","- C84 H74 Cu7 N12 O54 P5 W11 -","1","0.5","","Lu, Ying; Zhang, Tong; Zhang, Yue-Xian; Sang, Xiao-Jing; Su, Fang; Zhu, Zaiming; Zhang, Lan-Cui","A POM-based copper-coordination polymer crystal material for phenolic compound degradation by immobilizing horseradish peroxidase","Dalton Transactions","2021","","","","","10.1039/D1DT02644E","","","0.71073","MoKα","","0.0738","0.0631","","","0.1538","0.1594","","","","","","1.077","","","","has coordinates,has disorder","269275","2021-09-23","23:12:29",""
"7708400","9.244","0.007","12.797","0.009","13.879","0.011","102.388","0.012","106.875","0.011","109.768","0.011","1386.5","1.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Cu4 N8 O28 W6 -","- C40 H32 Cu4 N8 O28 W6 -","- C40 H32 Cu4 N8 O28 W6 -","1","0.5","","Lu, Ying; Zhang, Tong; Zhang, Yue-Xian; Sang, Xiao-Jing; Su, Fang; Zhu, Zaiming; Zhang, Lan-Cui","A POM-based copper-coordination polymer crystal material for phenolic compound degradation by immobilizing horseradish peroxidase","Dalton Transactions","2021","","","","","10.1039/D1DT02644E","","","0.71073","MoKα","","0.0528","0.0354","","","0.0817","0.0882","","","","","","1.005","","","","has coordinates","269275","2021-09-23","23:12:29",""
"7708401","8.9294","0.0002","10.1492","0.0003","19.8943","0.0005","85.875","0.002","89.344","0.002","74.882","0.002","1735.99","0.08","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 Co4 N6 O31 -","- C58 H84 Co4 N6 O31 -","- C58 H84 Co4 N6 O31 -","1","0.5","","Dey, Atanu; Guha, Anku; Kumar, Vierandra; Bawari, Sumit; Narayanan, Tharangattu N.; Chandrasekhar, Vadapalli","Facile water oxidation by dinuclear mixed-valence CoIII/CoII complexes: the role of coordinated water","Dalton Transactions","2021","","","","","10.1039/D1DT01910D","","x-ray","0.71073","MoKα","","0.0715","0.0642","","","0.1841","0.191","","","","","","1.058","","","","has coordinates","269276","2021-09-23","23:13:03",""
"7708402","8.8633","0.0003","10.178","0.0003","19.7854","0.0006","99.539","0.002","91.887","0.002","92.049","0.002","1757.68","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H47 Co2 N2 O17 -","- C33 H47 Co2 N2 O17 -","- C66 H94 Co4 N4 O34 -","2","1","","Dey, Atanu; Guha, Anku; Kumar, Vierandra; Bawari, Sumit; Narayanan, Tharangattu N.; Chandrasekhar, Vadapalli","Facile water oxidation by dinuclear mixed-valence CoIII/CoII complexes: the role of coordinated water","Dalton Transactions","2021","","","","","10.1039/D1DT01910D","","x-ray","0.71073","MoKα","","0.0444","0.0407","","","0.1132","0.1158","","","","","","1.043","","","","has coordinates","269276","2021-09-23","23:13:04",""
"7708403","6.6978","0.0015","8.6438","0.0018","8.8483","0.0019","85.271","0.004","86.921","0.005","67.163","0.004","470.37","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 Br N4 O8 P2 Pt -","- C12 H20 Br N4 O8 P2 Pt -","- C12 H20 Br N4 O8 P2 Pt -","1","0.5","","Afrin, Unjila; Fuku, Kentaro; Cui, Mengxing; Iguchi, Hiroaki; Mian, Mohammad Rasel; Nakanishi, Ryo; Takaishi, Shinya; Yamashita, Masahiro","Interdigitated Pt-Br chains with π-stacking: an approach toward Robin-Day class I mixed valency in MX-chain complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02996G","","","0.71073","MoKα","","0.0254","0.0247","","","0.0564","0.0567","","","","","","1.034","","","","has coordinates","269277","2021-09-23","23:13:27",""
"7708404","18.943","0.003","15.0354","0.0017","17.129","0.002","90","","90","","90","","4878.6","1.1","150","","150","","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C30 H78 Ge2 O3 Si6 Yb -","- C30 H78 Ge2 O3 Si6 Yb -","- C120 H312 Ge8 O12 Si24 Yb4 -","4","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Cordier, Marie; Kahlal, Samia; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Bonding analysis in ytterbium(ii) distannyl and related tetryls","Dalton Transactions","2021","","","","","10.1039/D1DT02355A","","x-ray","0.71073","MoKα","","0.0342","0.0265","","","0.0516","0.0548","","","","","","1.058","","","","has coordinates,has disorder","269278","2021-09-23","23:14:05",""
"7708405","13.2657","0.0008","19.8289","0.0011","40.652","0.002","90","","90","","90","","10693.3","1","150","","150","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C34 H86 O4 Si6 Sn2 Yb -","- C34 H86 O4 Si6 Sn2 Yb -","- C272 H688 O32 Si48 Sn16 Yb8 -","8","1","","Chapple, Peter M.; Cartron, Julien; Hamdoun, Ghanem; Cordier, Marie; Kahlal, Samia; Oulyadi, Hassan; Carpentier, Jean-François; Saillard, Jean-Yves; Sarazin, Yann","Bonding analysis in ytterbium(ii) distannyl and related tetryls","Dalton Transactions","2021","","","","","10.1039/D1DT02355A","","x-ray","0.71073","MoKα","","0.0577","0.0378","","","0.0739","0.0801","","","","","","1.151","","","","has coordinates,has disorder","269278","2021-09-23","23:14:05",""
"7708406","13.6091","0.0004","15.1518","0.0005","15.1092","0.0007","90","","95.028","0.004","90","","3103.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H42 N2 O10 P2 Re2 -","- C60 H42 N2 O10 P2 Re2 -","- C120 H84 N4 O20 P4 Re4 -","2","0.5","","Gupta, Deepak; Singh, Bholey; Pani, Balaram","Multiple Phenyl Rings appended Re-based Complexes for Strong Visible Light Absorption and DNA Binding","Dalton Transactions","2021","","","","","10.1039/D1DT02216D","","","0.71073","MoKα","","0.1145","0.0725","","","0.1942","0.2208","","","","","","1.058","","","","has coordinates","269279","2021-09-23","23:14:44",""
"7708407","10.118","0.0006","10.6093","0.0006","15.8454","0.0007","102.943","0.004","101.642","0.004","106.626","0.005","1522.66","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 N O5 P Re -","- C33 H27 N O5 P Re -","- C66 H54 N2 O10 P2 Re2 -","2","1","","Gupta, Deepak; Singh, Bholey; Pani, Balaram","Multiple Phenyl Rings appended Re-based Complexes for Strong Visible Light Absorption and DNA Binding","Dalton Transactions","2021","","","","","10.1039/D1DT02216D","","","0.71073","MoKα","","0.0383","0.031","","","0.0606","0.0637","","","","","","1.002","","","","has coordinates","269279","2021-09-23","23:14:44",""
"7708408","18.53744","0.00019","17.36252","0.00016","30.7787","0.0004","90","","90","","90","","9906.33","0.19","99.95","0.1","99.95","0.1","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C41 H66 B Cl2 Cu2 F4 N6 O3 S3 -","- C41 H66 B Cl2 Cu2 F4 N6 O3 S3 -","- C328 H528 B8 Cl16 Cu16 F32 N48 O24 S24 -","8","1","","Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter","An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States","Dalton Transactions","2021","","","","","10.1039/D1DT02075G","","x-ray","1.54184","CuKα","","0.0432","0.0352","","","0.0921","0.099","","","","","","1.023","","","","has coordinates,has disorder","269299","2021-09-24","23:05:10",""
"7708409","10.3506","0.0005","28.6229","0.0014","17.3038","0.0008","90","","91.771","0.004","90","","5124","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H59 Cl4 N5 O18 S3 -","- C36 H59 Cl4 N5 O18 S3 -","- C144 H236 Cl16 N20 O72 S12 -","4","1","","Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter","An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States","Dalton Transactions","2021","","","","","10.1039/D1DT02075G","","","0.71073","MoKα","","0.0498","0.0434","","","0.1083","0.1145","","","","","","1.022","","","","has coordinates,has disorder","269299","2021-09-24","23:05:12",""
"7708410","12.4346","0.0004","13.9327","0.0004","15.5273","0.0006","66.345","0.003","81.345","0.003","69.195","0.003","2303.27","0.15","99.9","0.2","99.9","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H122 Cl7 Cu2 N10 O4 S6 -","- C76 H122 Cl7 Cu2 N10 O4 S6 -","- C76 H122 Cl7 Cu2 N10 O4 S6 -","1","0.5","","Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter","An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States","Dalton Transactions","2021","","","","","10.1039/D1DT02075G","","x-ray","1.54184","CuKα","","0.0534","0.0522","","","0.1146","0.1149","","","","","","1.232","","","","has coordinates,has disorder","269299","2021-09-24","23:05:12",""
"7708411","10.705","0.0002","14.4139","0.0003","17.3426","0.0003","77.4312","0.0016","87.357","0.0016","73.3222","0.0016","2501.6","0.09","195","130","195","130","","","","","","","","7","P -1","-P 1","2","","","","- C44 H63 Cl2 N9 Ni O8 S3 -","- C44 H63 Cl2 N9 Ni O8 S3 -","- C88 H126 Cl4 N18 Ni2 O16 S6 -","2","1","","Jökel, Julia; Nyßen, Frauke; Siegmund, Daniel; Apfel, Ulf-Peter","An Asymmetric Cryptand for the Site-Specific Coordination of 3d Metals in Multiple Oxidation States","Dalton Transactions","2021","","","","","10.1039/D1DT02075G","","","1.54184","CuKα","","0.0304","0.0296","","","0.0772","0.0776","","","","","","1.028","","","","has coordinates","269299","2021-09-24","23:05:13",""
"7708412","13.1436","0.0004","13.0775","0.0004","16.9749","0.0004","90","","98.675","0.002","90","","2884.36","0.14","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl2 Fe N3 P Pt -","- C29 H34 Cl2 Fe N3 P Pt -","- C116 H136 Cl8 Fe4 N12 P4 Pt4 -","4","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","1.54178","CuKα","","0.0573","0.0354","","","0.0641","0.0701","","","","","","1.017","","","","has coordinates","269300","2021-09-24","23:08:40",""
"7708413","13.2618","0.0006","11.2018","0.0005","21.9932","0.001","90","","101.127","0.001","90","","3205.8","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Cl Fe N3 O P Pd -","- C33 H43 Cl Fe N3 O P Pd -","- C132 H172 Cl4 Fe4 N12 O4 P4 Pd4 -","4","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0222","0.02","","","0.0497","0.0513","","","","","","1.089","","","","has coordinates","269300","2021-09-24","23:08:40",""
"7708414","11.2137","0.0006","18.8589","0.0011","13.3837","0.0007","90","","113.5","0.002","90","","2595.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Fe N3 O P -","- C29 H34 Fe N3 O P -","- C116 H136 Fe4 N12 O4 P4 -","4","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0341","0.0284","","","0.0664","0.0695","","","","","","1.059","","","","has coordinates","269300","2021-09-24","23:08:40",""
"7708415","13.7155","0.0009","15.3996","0.0011","19.7573","0.0014","88.358","0.002","85.451","0.002","65.734","0.002","3792.3","0.5","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H74 Cl8 F12 Fe2 N6 P2 Pd2 Sb2 -","- C60 H74 Cl8 F12 Fe2 N6 P2 Pd2 Sb2 -","- C120 H148 Cl16 F24 Fe4 N12 P4 Pd4 Sb4 -","2","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.066","0.0493","","","0.128","0.1377","","","","","","1.031","","","","has coordinates","269300","2021-09-24","23:08:40",""
"7708416","14.1749","0.0004","14.2935","0.0004","17.5227","0.0004","70.72","0.001","89.867","0.001","83.515","0.001","3327.39","0.15","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C124 H94 B2 Cl8 F48 Fe2 N6 P2 Pt2 -","- C124 H94 B2 Cl8 F48 Fe2 N6 P2 Pt2 -","- C124 H94 B2 Cl8 F48 Fe2 N6 P2 Pt2 -","1","0.5","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0318","0.0281","","","0.0676","0.0695","","","","","","1.035","","","","has coordinates","269300","2021-09-24","23:08:41",""
"7708417","9.5123","0.0005","9.6515","0.0006","20.8133","0.0011","95.262","0.002","98.024","0.002","114.946","0.002","1691.29","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H37 Cl2 F6 Fe N3 P Sb -","- C30 H37 Cl2 F6 Fe N3 P Sb -","- C60 H74 Cl4 F12 Fe2 N6 P2 Sb2 -","2","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0403","0.0379","","","0.0961","0.0983","","","","","","1.049","","","","has coordinates,has disorder","269300","2021-09-24","23:08:41",""
"7708418","19.1783","0.0007","23.3714","0.0008","21.2267","0.0006","90","","92.22","0.001","90","","9507.2","0.5","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55 F7 Fe N4 O P Pd Sb -","- C36 H38 F6 Fe N4 P Pd Sb -","- C288 H304 F48 Fe8 N32 P8 Pd8 Sb8 -","8","2","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0725","0.0479","","","0.1243","0.1392","","","","","","1.032","","","","has coordinates,has disorder","269300","2021-09-24","23:08:41",""
"7708419","13.9859","0.0006","9.5728","0.0004","20.6633","0.0009","90","","99.693","0.002","90","","2727","0.2","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl Fe N3 P -","- C29 H35 Cl Fe N3 P -","- C116 H140 Cl4 Fe4 N12 P4 -","4","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0298","0.0261","","","0.0638","0.0663","","","","","","1.06","","","","has coordinates","269300","2021-09-24","23:08:41",""
"7708420","19.7508","0.0006","16.9406","0.0006","21.6364","0.0008","90","","94.266","0.001","90","","7219.3","0.4","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 F6 Fe N3 O2 P Pd Sb -","- C34 H41 F6 Fe N3 O2 P Pd Sb -","- C272 H328 F48 Fe8 N24 O16 P8 Pd8 Sb8 -","8","2","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0275","0.0237","","","0.0582","0.0605","","","","","","1.047","","","","has coordinates,has disorder","269300","2021-09-24","23:08:41",""
"7708421","11.4217","0.0005","12.2753","0.0005","13.582","0.0006","88.887","0.001","84.124","0.002","86.811","0.001","1891.14","0.14","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C37 H39 Br Cl3 Fe N4 P Pd -","- C37 H39 Br Cl3 Fe N4 P Pd -","- C74 H78 Br2 Cl6 Fe2 N8 P2 Pd2 -","2","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0259","0.0249","","","0.0707","0.0714","","","","","","1.044","","","","has coordinates,has disorder","269300","2021-09-24","23:08:41",""
"7708422","12.5962","0.0005","13.5142","0.0006","14.1211","0.0006","114.103","0.001","93.921","0.001","108.668","0.001","2022.94","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H37.5 Cl10.5 Fe N3 P Pd -","- C31 H37 Cl9 Fe N3 P Pd -","- C62 H74 Cl18 Fe2 N6 P2 Pd2 -","2","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.032","0.0283","","","0.0644","0.0673","","","","","","1.05","","","","has coordinates","269300","2021-09-24","23:08:41",""
"7708423","9.8295","0.0016","10.7854","0.0017","16.81","0.002","90.376","0.008","104.974","0.006","112.399","0.005","1580.7","0.4","120","2","120","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H70 Cl2 F12 Fe2 N6 P2 Pd Sb2 -","- C58 H70 Cl2 F12 Fe2 N6 P2 Pd Sb2 -","- C58 H70 Cl2 F12 Fe2 N6 P2 Pd Sb2 -","1","0.5","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0438","0.0364","","","0.0759","0.0785","","","","","","1.122","","","","has coordinates","269300","2021-09-24","23:08:41",""
"7708424","12.9629","0.0005","15.5152","0.0007","17.6064","0.0008","90","","95.763","0.002","90","","3523.1","0.3","120","2","120","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Cl4 F12 Fe2 N6 O2 P2 Pd2 Sb2 -","- C60 H74 Cl4 F12 Fe2 N6 O2 P2 Pd2 Sb2 -","- C120 H148 Cl8 F24 Fe4 N12 O4 P4 Pd4 Sb4 -","2","0.5","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0258","0.0242","","","0.057","0.058","","","","","","1.032","","","","has coordinates","269300","2021-09-24","23:08:41",""
"7708425","17.162","0.0009","20.7881","0.001","21.7424","0.0011","90","","90","","90","","7756.9","0.7","125","2","125","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H43 F6 Fe N5 P Pd Sb -","- C36 H43 F6 Fe N5 P Pd Sb -","- C288 H344 F48 Fe8 N40 P8 Pd8 Sb8 -","8","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.0232","0.0207","","","0.0482","0.0497","","","","","","1.077","","","","has coordinates,has disorder","269300","2021-09-24","23:08:41",""
"7708426","10.8193","0.0005","26.3138","0.0012","14.9826","0.0006","90","","108.307","0.001","90","","4049.6","0.3","120","2","120","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C40 H42 F6 Fe N4 P Pd Sb -","- C40 H42 F6 Fe N4 P Pd Sb -","- C160 H168 F24 Fe4 N16 P4 Pd4 Sb4 -","4","1","","Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr","The protonation state governs the coordination of phosphinoferrocene guanidines","Dalton Transactions","2021","","","","","10.1039/D1DT02884G","","","0.71073","MoKα","","0.014","0.0138","","","0.0352","0.0355","","","","","","1.038","","","","has coordinates","269300","2021-09-24","23:08:42",""
"7708427","9.3705","0.0002","13.1255","0.0003","13.9195","0.0003","90","","104.818","0.002","90","","1655.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl Fe O7 -","- C16 H16 Cl Fe O7 -","- C64 H64 Cl4 Fe4 O28 -","4","1","","Nesterova, Oksana V.; Vassilyeva, Olga; Skelton, Brian W.; Bieńko, Alina; Pombeiro, Armando J. L.; Nesterov, Dmytro","A novel o-vanillin Fe(III) complex catalytically active in C‒H oxidation: Exploring the magnetic exchange interactions and spectroscopic properties with different DFT functionals","Dalton Transactions","2021","","","","","10.1039/D1DT02366G","","","1.54178","CuKα","","0.0395","0.0327","","","0.0823","0.0869","","","","","","1.057","","","","has coordinates","269301","2021-09-24","23:10:12",""
"7708428","17.545","0.003","19.004","0.004","20.559","0.004","90.518","0.003","101.709","0.003","102.171","0.003","6552","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C74 H172 K2 O6 Si16 Sn10 -","- C74 H172 K2 O6 Si16 Sn10 -","- C148 H344 K4 O12 Si32 Sn20 -","2","1","","Schnepf, Andreas; Schrenk, Claudio; Kimmich, Roman","Higher stability within metalloid tin clusters via Cation-Anion interaction.","Dalton Transactions","2021","","","","","10.1039/D1DT02591K","","x-ray","0.71073","MoKα","","0.0847","0.047","","","0.1057","0.1332","","","","","","1.06","","","","has coordinates,has disorder","269314","2021-09-26","22:52:00",""
"7708429","35.991","0.004","18.5716","0.0018","34.997","0.004","90","","116.477","0.006","90","","20939","4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H132 K2 Si16 Sn10 -","- C48 H132 K2 Si16 Sn10 -","- C384 H1056 K16 Si128 Sn80 -","8","1","","Schnepf, Andreas; Schrenk, Claudio; Kimmich, Roman","Higher stability within metalloid tin clusters via Cation-Anion interaction.","Dalton Transactions","2021","","","","","10.1039/D1DT02591K","","x-ray","0.71073","MoKα","","0.1059","0.063","","","0.1397","0.1838","","","","","","1.158","","","","has coordinates,has disorder","269314","2021-09-26","22:52:00",""
"7708430","18.108","0.003","30.136","0.004","23.877","0.003","90","","92.523","0.003","90","","13017","3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H196 K2 N8 Si16 Sn10 -","- C72 H196 K2 N8 Si16 Sn10 -","- C288 H784 K8 N32 Si64 Sn40 -","4","1","","Schnepf, Andreas; Schrenk, Claudio; Kimmich, Roman","Higher stability within metalloid tin clusters via Cation-Anion interaction.","Dalton Transactions","2021","","","","","10.1039/D1DT02591K","","x-ray","0.71073","MoKα","","0.0733","0.0477","","","0.1048","0.1291","","","","","","1.176","","","","has coordinates,has disorder","269314","2021-09-26","22:52:00",""
"7708431","10.0346","0.0004","16.8085","0.0007","17.3076","0.0006","90","","90","","90","","2919.2","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 Cl N3 O2 V -","- C31 H36 Cl N3 O2 V -","- C124 H144 Cl4 N12 O8 V4 -","4","1","","Wu, Ruiyao; Niu, Zhen; Huang, Lingyun; Yang, Yinxin; Xia, Zhu; Fan, Weifeng; Dai, Quanquan; Cui, Long; He, Jianyun; Bai, Chenxi","Thermally stable vanadium complexes supported by the iminophenyl oxazolinylphenylamines ligands: Synthesis, characterization and application for ethylene (co-)polymerization","Dalton Transactions","2021","","","","","10.1039/D1DT03004C","","","0.71073","MoKα","","0.0479","0.0366","","","0.088","0.0953","","","","","","1.011","","","","has coordinates","269315","2021-09-26","22:52:46",""
"7708432","9.6136","0.0005","16.7986","0.001","17.1214","0.0008","90","","90","","90","","2765","0.3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl N3 O2 V -","- C29 H32 Cl N3 O2 V -","- C116 H128 Cl4 N12 O8 V4 -","4","1","","Wu, Ruiyao; Niu, Zhen; Huang, Lingyun; Yang, Yinxin; Xia, Zhu; Fan, Weifeng; Dai, Quanquan; Cui, Long; He, Jianyun; Bai, Chenxi","Thermally stable vanadium complexes supported by the iminophenyl oxazolinylphenylamines ligands: Synthesis, characterization and application for ethylene (co-)polymerization","Dalton Transactions","2021","","","","","10.1039/D1DT03004C","","","0.71073","MoKα","","0.0566","0.0435","","","0.1043","0.1141","","","","","","1.037","","","","has coordinates","269315","2021-09-26","22:52:47",""
"7708433","10.8521","0.0018","17.56","0.003","17.76","0.003","118.145","0.005","93.156","0.005","99.868","0.005","2903.9","0.9","100","2","99.73","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H40 F8 Fe N4 -","- C68 H40 F8 Fe N4 -","- C136 H80 F16 Fe2 N8 -","2","1","","Chakraborty, Buddhadeb; Sahoo, Sumit; Narayansamy, Raja; Usharani, Dandamudi; Rath, Harapriya","Structural isolation of NIR absorbing ferrocenyl bridged N-confused fused expanded phlorin, N-confused porphodimethene and the π-extended corrorin isomer: synthesis and characterization","Dalton Transactions","2021","","","","","10.1039/D1DT02385C","","","0.71073","MoKα","","0.1055","0.0735","","","0.1804","0.191","","","","","","1.034","","","","has coordinates","269328","2021-09-27","22:54:54",""
"7708434","10.8202","0.0009","12.6519","0.0012","12.8207","0.0015","104.095","0.009","96.477","0.008","95.991","0.007","1675.5","0.3","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H33 N7 Ni O4 S2 -","- C34 H33 N7 Ni O4 S2 -","- C68 H66 N14 Ni2 O8 S4 -","2","1","","Chaurasia, R.; Pandey, Shivendra Kumar; Singh, Devesh Kumar; Bharty, M. K.; Ganesan, Vellaichamy; Hira, S. K.; Manna, P. P.; Bharti, A.; Butcher, Ray J.","Antiproliferative activity and electrochemical oxygen evolution by Ni(ii) complexes of N′-(aroyl)-hydrazine carbodithioates","Dalton Transactions","2021","","","","","10.1039/D1DT02285G","","","0.71073","MoKα","","0.0646","0.0501","","","0.132","0.1416","","","","","","1.063","","","","has coordinates","269329","2021-09-27","22:55:30",""
"7708435","17.1272","0.0012","20.0705","0.0013","11.5195","0.0009","90","","96.17","0.007","90","","3936.9","0.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C143 H119 Cl21 N24 Ni4 O12 S8 -","- C143 H119 Cl21 N24 Ni4 O12 S8 -","- C143 H119 Cl21 N24 Ni4 O12 S8 -","1","0.25","","Chaurasia, R.; Pandey, Shivendra Kumar; Singh, Devesh Kumar; Bharty, M. K.; Ganesan, Vellaichamy; Hira, S. K.; Manna, P. P.; Bharti, A.; Butcher, Ray J.","Antiproliferative activity and electrochemical oxygen evolution by Ni(ii) complexes of N′-(aroyl)-hydrazine carbodithioates","Dalton Transactions","2021","","","","","10.1039/D1DT02285G","","","0.71073","MoKα","","0.2124","0.0805","","","0.1732","0.2041","","","","","","0.872","","","","has coordinates,has disorder","269329","2021-09-27","22:55:31",""
"7708436","8.8513","0.0009","9.9415","0.001","10.9782","0.001","68.212","0.009","89.716","0.008","74.358","0.009","858.9","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 N6 Ni O2 S4 -","- C32 H36 N6 Ni O2 S4 -","- C32 H36 N6 Ni O2 S4 -","1","0.5","","Chaurasia, R.; Pandey, Shivendra Kumar; Singh, Devesh Kumar; Bharty, M. K.; Ganesan, Vellaichamy; Hira, S. K.; Manna, P. P.; Bharti, A.; Butcher, Ray J.","Antiproliferative activity and electrochemical oxygen evolution by Ni(ii) complexes of N′-(aroyl)-hydrazine carbodithioates","Dalton Transactions","2021","","","","","10.1039/D1DT02285G","","","0.71073","MoKα","","0.0492","0.0377","","","0.0924","0.1017","","","","","","1.055","","","","has coordinates","269329","2021-09-27","22:55:31",""
"7708437","9.866","0.005","10.771","0.005","12.093","0.006","101.033","0.019","101.83","0.03","91.21","0.02","1232.1","1.1","100","","100","","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H66 Fe N4 O P2 -","- C56 H66 Fe N4 O P2 -","- C56 H66 Fe N4 O P2 -","1","1","","Baierl, Ramona; Kostenko, Arseni; Hanusch, Franziska; Inoue, Shigeyoshi","Application of Ferrocene-Bridged N-Heterocyclic Carbene Stabilised Bis-Phosphinidenes in Sn(II) Complexation","Dalton Transactions","2021","","","","","10.1039/D1DT03016G","","x-ray","0.71073","MoKα","","0.0451","0.0334","","","0.0786","0.0851","","","","","","1.01","","","","has coordinates,has disorder","269330","2021-09-27","22:56:21",""
"7708438","14.341","0.005","14.789","0.004","15.604","0.006","80.658","0.013","79.157","0.015","66.634","0.012","2969.6","1.8","100","","100","","","","","","","","see text","6","P -1","-P 1","2","","","","- C64 H84 Fe N4 O2 P2 -","- C64 H84 Fe N4 O2 P2 -","- C128 H168 Fe2 N8 O4 P4 -","2","1","","Baierl, Ramona; Kostenko, Arseni; Hanusch, Franziska; Inoue, Shigeyoshi","Application of Ferrocene-Bridged N-Heterocyclic Carbene Stabilised Bis-Phosphinidenes in Sn(II) Complexation","Dalton Transactions","2021","","","","","10.1039/D1DT03016G","","x-ray","0.71073","MoKα","","0.0345","0.0314","","","0.0876","0.0899","","","","","","1.003","","","","has coordinates","269330","2021-09-27","22:56:21",""
"7708439","13.8207","0.0004","13.9298","0.0004","34.6173","0.001","90","","93.984","0.002","90","","6648.4","0.3","100","","100","","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Fe I2 N4 O P2 Sn -","- C60 H72 Fe I2 N4 O P2 Sn -","- C240 H288 Fe4 I8 N16 O4 P8 Sn4 -","4","1","","Baierl, Ramona; Kostenko, Arseni; Hanusch, Franziska; Inoue, Shigeyoshi","Application of Ferrocene-Bridged N-Heterocyclic Carbene Stabilised Bis-Phosphinidenes in Sn(II) Complexation","Dalton Transactions","2021","","","","","10.1039/D1DT03016G","","x-ray","1.54178","CuKα","","0.0545","0.0421","","","0.114","0.1251","","","","","","1.012","","","","has coordinates,has disorder","269330","2021-09-27","22:56:21",""
"7708440","8.276","0.007","14.505","0.012","17.743","0.014","101.762","0.019","99.807","0.018","94.55","0.03","2040","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H48 Cl4 Co8 N2 O24 Si4 -","- C70 H48 Cl4 Co8 N2 O24 Si4 -","- C70 H48 Cl4 Co8 N2 O24 Si4 -","1","0.5","","Werner, Simon; Vollgraff, Tobias; Sundermeyer, Jörg","Rylene- and diaza-rylene-derived cobalt clusters for solid-state pyrolysis towards undoped and N-doped carbon nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02276H","","","0.71073","MoKα","","0.0714","0.0472","","","0.1026","0.112","","","","","","1.04","","","","has coordinates,has disorder","269331","2021-09-27","22:57:06",""
"7708441","18.165","0.004","15.847","0.003","28.456","0.006","90","","98.73","0.03","90","","8096","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 Co8 N2 O24 Si4 -","- C68 H64 Co8 N2 O24 Si4 -","- C272 H256 Co32 N8 O96 Si16 -","4","0.5","","Werner, Simon; Vollgraff, Tobias; Sundermeyer, Jörg","Rylene- and diaza-rylene-derived cobalt clusters for solid-state pyrolysis towards undoped and N-doped carbon nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02276H","","","0.71073","MoKα","","0.0316","0.025","","","0.0529","0.055","","","","","","1.036","","","","has coordinates,has disorder","269331","2021-09-27","22:57:07",""
"7708442","18.1825","0.0012","9.8341","0.0006","19.5434","0.0013","90","","109.549","0.002","90","","3293.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Cl2 Cu2 N6 O10 -","- C25 H46 Cl2 Cu2 N6 O10 -","- C100 H184 Cl8 Cu8 N24 O40 -","4","1","","Jana, Narayan Ch.; Ghorai, Pravat; Brandão, Paula; Jaglicic, Zvonko; Panja, Anangamohan","Proton controlled synthesis of two dicopper(II) complexes and their magnetic and biomimetic catalytic studies along with probing the binding mode of the substrate to the metal centre","Dalton Transactions","2021","","","","","10.1039/D1DT02369A","","","0.71073","MoKα","","0.0401","0.0299","","","0.0697","0.0737","","","","","","1.039","","","","has coordinates","269332","2021-09-27","22:58:03",""
"7708443","7.3209","0.0005","13.3592","0.0009","21.4725","0.0015","93.655","0.002","97.899","0.002","95.664","0.002","2063.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.64 H55.28 Cl4 Cu2 N6 O20 -","- C25.637 H51.274 Cl4 Cu2 N6 O19 -","- C51.274 H102.548 Cl8 Cu4 N12 O38 -","2","1","","Jana, Narayan Ch.; Ghorai, Pravat; Brandão, Paula; Jaglicic, Zvonko; Panja, Anangamohan","Proton controlled synthesis of two dicopper(II) complexes and their magnetic and biomimetic catalytic studies along with probing the binding mode of the substrate to the metal centre","Dalton Transactions","2021","","","","","10.1039/D1DT02369A","","","0.71073","MoKα","","0.0451","0.0337","","","0.077","0.0814","","","","","","1.065","","","","has coordinates,has disorder","269332","2021-09-27","22:58:03",""
"7708444","12.631","0.015","14.08","0.02","15.56","0.02","77.86","0.05","70.99","0.05","76.97","0.05","2521","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H105 Br16 Cu6 N14 O23 -","- C74 H96 Br16 Cu6 N14 O20 -","- C74 H96 Br16 Cu6 N14 O20 -","1","0.5","","Jana, Narayan Ch.; Ghorai, Pravat; Brandão, Paula; Jaglicic, Zvonko; Panja, Anangamohan","Proton controlled synthesis of two dicopper(II) complexes and their magnetic and biomimetic catalytic studies along with probing the binding mode of the substrate to the metal centre","Dalton Transactions","2021","","","","","10.1039/D1DT02369A","","","0.71073","MoKα","","0.0513","0.0369","","","0.0742","0.0809","","","","","","1.105","","","","has coordinates","269332","2021-09-27","22:58:03",""
"7708445","10.877","0.0016","10.9486","0.0018","11.9696","0.0017","90","","104.698","0.005","90","","1378.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H34 N2 O16 V4 -","- C18 H34 N2 O16 V4 -","- C36 H68 N4 O32 V8 -","2","0.5","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0372","0.0305","","","0.0741","0.0785","","","","","","1.086","","","","has coordinates","269333","2021-09-27","22:59:52",""
"7708446","8.266","0.005","8.933","0.006","9.866","0.006","65.414","0.01","76.711","0.0016","85.487","0.0012","644.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H30 N2 O18 V4 -","- C16 H30 N2 O18 V4 -","- C16 H30 N2 O18 V4 -","1","0.5","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0426","0.0327","","","0.0795","0.0849","","","","","","1.058","","","","has coordinates","269333","2021-09-27","22:59:52",""
"7708447","8.642","0.006","8.842","0.006","11.429","0.008","70.1","0.02","68.447","0.019","84.306","0.018","763.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 N2 O18 V4 -","- C22 H42 N2 O18 V4 -","- C22 H42 N2 O18 V4 -","1","0.5","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0539","0.0348","","","0.0759","0.0846","","","","","","1.041","","","","has coordinates","269333","2021-09-27","22:59:52",""
"7708448","17.0549","0.0009","15.2858","0.0008","12.0572","0.0006","90","","99.7222","0.0018","90","","3098.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H41 N3 O25 V6 -","- C12 H27 N3 O25 V6 -","- C48 H108 N12 O100 V24 -","4","1","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0752","0.0574","","","0.1627","0.1744","","","","","","1.27","","","","has coordinates","269333","2021-09-27","22:59:53",""
"7708449","8.143","0.008","10.003","0.01","22.33","0.02","90.53","0.05","92.55","0.04","113.36","0.03","1667","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 N2 O16 V4 -","- C22 H42 N2 O16 V4 -","- C44 H84 N4 O32 V8 -","2","1","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0959","0.0691","","","0.1578","0.1689","","","","","","1.108","","","","has coordinates,has disorder","269333","2021-09-27","22:59:53",""
"7708450","12.871","0.003","8.3842","0.0017","17.948","0.004","90","","91.56","0.03","90","","1936.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N2 O16 V4 -","- C32 H46 N2 O16 V4 -","- C64 H92 N4 O32 V8 -","2","0.5","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0485","0.0294","","","0.0713","0.0821","","","","","","1.086","","","","has coordinates","269333","2021-09-27","22:59:53",""
"7708451","8.1333","0.0003","22.4738","0.0008","8.8615","0.0003","90","","108.205","0.0013","90","","1538.68","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 N2 O16 V4 -","- C20 H38 N2 O16 V4 -","- C40 H76 N4 O32 V8 -","2","0.5","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0391","0.0294","","","0.0725","0.0787","","","","","","1.05","","","","has coordinates","269333","2021-09-27","22:59:53",""
"7708452","18.8462","0.0018","19.9961","0.0018","18.827","0.0016","90","","99.46","0.004","90","","6998.5","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H79 N8 O48 V14 -","- C35 H79 N8 O48 V14 -","- C140 H316 N32 O192 V56 -","4","0.5","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.1097","0.0727","","","0.1519","0.1819","","","","","","1.12","","","","has coordinates,has disorder","269333","2021-09-27","22:59:53",""
"7708453","8.545","0.003","12.114","0.005","16.617","0.006","76.391","0.018","84.09","0.017","71.427","0.015","1584","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H42 N2 O16 V4 -","- C22 H42 N2 O16 V4 -","- C44 H84 N4 O32 V8 -","2","1","","Huang, Li; Ouyang, Congrui; Liu, Xing; Zhou, Jian; Zou, Hua-Hong; Yuan, Hua; Wen, Dou","A series of organic hybrid polyoxovanadate clusters incorporating tris(hydroxymethyl)methane derivatives","Dalton Transactions","2021","","","","","10.1039/D1DT02912F","","","0.71073","MoKα","","0.0436","0.0323","","","0.0767","0.0827","","","","","","1.092","","","","has coordinates","269333","2021-09-27","22:59:53",""
"7708454","23.0634","0.0005","14.3894","0.0003","18.507","0.0007","90","","118.384","0.001","90","","5403.5","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[Ru(bipy)2(Acpy)]PF6","","","- C27 H20 F6 N5 O3 P Ru -","- C27 H20 F6 N5 O3 P Ru -","- C216 H160 F48 N40 O24 P8 Ru8 -","8","1","","Fernandes Sousa, Sinval; Ertem, Mehmed Z.; Faustino, Leandro A.; Machado, Antonio; Concepcion, Javier; da Silva Maia, Pedro Ivo; Patrocinio, Antonio Otavio","Mechanistic Investigation of the Aerobic Oxidation of 2-pyridylacetate Coordinated to a Ru(II) Polypyridyl Complex","Dalton Transactions","2021","","","","","10.1039/D1DT02461B","","","0.71073","MoKα","","0.0399","0.0325","","","0.0882","0.0944","","","","","","1.052","","","","has coordinates,has disorder","269352","2021-09-28","23:12:16",""
"7708455","8.8708","0.0005","28.9726","0.0015","13.5048","0.0007","90","","91.902","0.001","90","","3469","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O14 Zn2 -","- C34 H34 N4 O14 Zn2 -","- C136 H136 N16 O56 Zn8 -","4","1","","Liu, Yu; Wang, Yan; Zhang, Xiao-Sa; Sheng, Yu-Shu; Li, Wenze; Yang, Ai-Ai; Luan, Jian; Liu, Hongzhu; Wang, Zhonggang","A novel 3D Zn-coordination polymer based on a multiresponsive fluorescent sensor demonstrating outstanding sensitivities and selectivities for the efficient detection of multiple analytes","Dalton Transactions","2021","","","","","10.1039/D1DT02260A","","","0.71073","MoKα","","0.05","0.0339","","","0.0774","0.0831","","","","","","1.013","","","","has coordinates","269353","2021-09-28","23:12:39",""
"7708456","4.3082","0.0003","15.9548","0.0012","17.9101","0.0014","90","","91.975","0.003","90","","1230.35","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AB39","","","- C9 H11 Ag2 N4 S -","- C9 H11 Ag2 N4 S -","- C36 H44 Ag8 N16 S4 -","4","1","","Vinck, Robin; Karges, Johannes; Tharaud, Mickaël; Cariou, Kevin; Gasser, Gilles","Physical, spectroscopic, and biological properties of ruthenium and osmium photosensitizers bearing diversely substituted 4,4′-di(styryl)-2,2′-bipyridine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02083H","","","0.71073","MoKα","","0.0672","0.0356","","","0.0658","0.0745","","","","","","0.677","","","","has coordinates","269354","2021-09-28","23:14:43",""
"7708457","12.5586","0.0006","8.0921","0.0004","15.2637","0.0008","90","","93.729","0.002","90","","1547.9","0.13","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","AB36","","","- C26 H32 Ag3 N11 -","- C26 H32 Ag3 N11 -","- C52 H64 Ag6 N22 -","2","0.5","","Vinck, Robin; Karges, Johannes; Tharaud, Mickaël; Cariou, Kevin; Gasser, Gilles","Physical, spectroscopic, and biological properties of ruthenium and osmium photosensitizers bearing diversely substituted 4,4′-di(styryl)-2,2′-bipyridine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT02083H","","","0.71073","MoKα","","0.056","0.0353","","","0.0786","0.0922","","","","","","1.034","","","","has coordinates","269354","2021-09-28","23:14:46",""
"7708458","9.0942","0.0002","21.9908","0.0005","30.83","0.008","90","","90","","90","","6165.7","1.6","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C20 H92 Cl4 Co2 N8 O30 Pd2 Pt2 S4 -","- C20 H60 Cl4 Co2 N8 O14 Pd2 Pt2 S4 -","- C80 H240 Cl16 Co8 N32 O56 Pd8 Pt8 S16 -","4","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","A chromotropic PtIIPdIICoII coordination polymer with dual electrocatalytic activity for water reduction and oxidation","Dalton Transactions","2021","","","","","10.1039/D1DT02587B","","x-ray","0.71073","MoKα","","0.0601","0.041","","","0.0914","0.0973","","","","","","1.042","","","","has coordinates","269379","2021-09-29","23:07:19",""
"7708459","9.25625","0.00005","21.99085","0.00011","30.87849","0.00016","90","","90","","90","","6285.4","0.06","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C20 H92 Br4 Co2 N8 O30 Pd2 Pt2 S4 -","- C20 H60 Br4 Co2 N8 O14 Pd2 Pt2 S4 -","- C80 H240 Br16 Co8 N32 O56 Pd8 Pt8 S16 -","4","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","A chromotropic PtIIPdIICoII coordination polymer with dual electrocatalytic activity for water reduction and oxidation","Dalton Transactions","2021","","","","","10.1039/D1DT02587B","","","0.4125","synchrotron","","0.0414","0.0394","","","0.1027","0.1041","","","","","","1.049","","","","has coordinates,has disorder","269379","2021-09-29","23:07:19",""
"7708460","23.0626","0.0007","13.2138","0.0003","19.8116","0.0008","90","","105.73","0.004","90","","5811.4","0.3","293","2","293","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C52 H68 Cu4 N4 O12 S4 -","- C52 H68 Cu4 N4 O12 S4 -","- C208 H272 Cu16 N16 O48 S16 -","4","1","","Hou, Xiao-Xiao; Ren, Ya-Ping; Luo, Zhao-Hui; Jiang, Bing-Li; Lu, Tian-Tian; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: syntheses, crystal structures, inhibition of angiogenesis and the growth of human breast cancer in vitro and in vivo","Dalton Transactions","2021","","","","","10.1039/D1DT02033A","","x-ray","0.71073","MoKα","","0.0974","0.0522","","","0.1064","0.1323","","","","","","1.027","","","","has coordinates,has disorder","269380","2021-09-29","23:08:13",""
"7708461","26.102","0.005","11.779","0.002","14.489","0.003","90","","90","","90","","4454.7","1.5","296.15","","296.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C80 H124 Cu4 N4 O8 S4 -","- C80 H124 Cu4 N4 O8 S4 -","- C160 H248 Cu8 N8 O16 S8 -","2","0.5","","Hou, Xiao-Xiao; Ren, Ya-Ping; Luo, Zhao-Hui; Jiang, Bing-Li; Lu, Tian-Tian; Huang, Fu-Ping; Qin, Xiu-Ying","Two novel chiral tetranucleate copper-based complexes: syntheses, crystal structures, inhibition of angiogenesis and the growth of human breast cancer in vitro and in vivo","Dalton Transactions","2021","","","","","10.1039/D1DT02033A","","","0.71073","MoKα","","0.0599","0.0446","","","0.1233","0.137","","","","","","1.058","","","","has coordinates,has disorder","269380","2021-09-29","23:08:14",""
"7708462","15.4524","0.0007","15.4524","0.0007","25.1756","0.0011","90","","90","","90","","6011.3","0.5","233","2","233","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C102 H126 Ce6 N2 O34 P4 -","- C88 H112 Ce6 O32 P4 -","- C176 H224 Ce12 O64 P8 -","2","0.125","","Christou, George; Russell-Webster, Bradley; Lopez-Nieto, Javi; Abboud, Khalil A.","Phosphorus-based Ligand Effects on the Structure and Radical Scavenging Ability of Molecular Nanoparticles of CeO2","Dalton Transactions","2021","","","","","10.1039/D1DT02667D","","","0.71073","MoKα","","0.0669","0.0456","","","0.1235","0.1373","","","","","","1.044","","","","has coordinates,has disorder","269381","2021-09-29","23:09:09",""
"7708463","15.9001","0.0004","15.9001","0.0004","15.9001","0.0004","90","","90","","90","","4019.75","0.18","233","2","233","2","","","","","","","","6","P -4 3 m","P -4 2 3","215","","","","- C96 H132 Ce10 N12 O92 P12 -","- C72 H60 Ce10 N12 O80 P12 -","- C72 H60 Ce10 N12 O80 P12 -","1","0.0416667","","Christou, George; Russell-Webster, Bradley; Lopez-Nieto, Javi; Abboud, Khalil A.","Phosphorus-based Ligand Effects on the Structure and Radical Scavenging Ability of Molecular Nanoparticles of CeO2","Dalton Transactions","2021","","","","","10.1039/D1DT02667D","","","0.71073","MoKα","","0.0451","0.036","","","0.1038","0.1124","","","","","","1.166","","","","has coordinates,has disorder","269381","2021-09-29","23:09:09",""
"7708464","39.948","0.008","9.48","0.0019","36.213","0.007","90","","99.22","0.03","90","","13537","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H101 Mo N3 O4 -","- C72 H101 Mo N3 O4 -","- C576 H808 Mo8 N24 O32 -","8","1","","Bae, Dae Young; Lee, Gunhee; Lee, Eunsung","Reduction of highly bulky triphenolamine molybdenum nitrido and chloride complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02375F","","","0.66","synchrotron","","0.0757","0.0655","","","0.1926","0.2003","","","","","","1.144","","","","has coordinates","269382","2021-09-29","23:10:35",""
"7708465","21.558","0.004","16.423","0.003","18.064","0.004","90","","103.13","0.03","90","","6228","2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H94 Mo N3 O3 -","- C68 H94 Mo N3 O3 -","- C272 H376 Mo4 N12 O12 -","4","1","","Bae, Dae Young; Lee, Gunhee; Lee, Eunsung","Reduction of highly bulky triphenolamine molybdenum nitrido and chloride complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02375F","","","0.7","synchrotron","","0.0431","0.0422","","","0.1079","0.1086","","","","","","1.059","","","","has coordinates,has disorder","269382","2021-09-29","23:10:36",""
"7708466","21.259","0.004","16.589","0.003","18.108","0.004","90","","102.74","0.03","90","","6229","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H92 Cl Mo N O4 -","- C70 H92 Cl Mo N O4 -","- C280 H368 Cl4 Mo4 N4 O16 -","4","1","","Bae, Dae Young; Lee, Gunhee; Lee, Eunsung","Reduction of highly bulky triphenolamine molybdenum nitrido and chloride complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02375F","","","0.7","Synchrotron","","0.0738","0.0572","","","0.1691","0.1798","","","","","","1.071","","","","has coordinates,has disorder","269382","2021-09-29","23:10:36",""
"7708467","18.82","0.004","21.472","0.004","23.757","0.005","111.84","0.03","100.76","0.03","99.58","0.03","8457","4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C144.5 H198 Cl5 K5 Mo2 N2 O6 -","- C144.5 H198 Cl5 K5 Mo2 N2 O6 -","- C289 H396 Cl10 K10 Mo4 N4 O12 -","2","1","","Bae, Dae Young; Lee, Gunhee; Lee, Eunsung","Reduction of highly bulky triphenolamine molybdenum nitrido and chloride complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02375F","","","0.66","synchrotron","","0.1237","0.077","","","0.2162","0.2444","","","","","","0.973","","","","has coordinates","269382","2021-09-29","23:10:36",""
"7708468","4.5207","0.0005","7.9263","0.0009","11.5245","0.0012","90","","98.503","0.01","90","","408.41","0.08","107","2","107","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,2-dihydroxymethyl-5,5-bitetrazole","2,2-dihydroxymethyl-5,5-bitetrazole","","- C4 H6 N8 O2 -","- C4 H6 N8 O2 -","- C8 H12 N16 O4 -","2","0.5","","Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg","N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive","Dalton Transactions","2021","","","","","10.1039/D1DT02731J","","x-ray","0.71073","MoKα","","0.0387","0.0313","","","0.0766","0.0811","","","","","","1.052","","","","has coordinates","269383","2021-09-29","23:12:01",""
"7708469","9.4429","0.0001","9.4429","0.0001","12.3008","0.0003","90","","90","","90","","1096.84","0.03","108","2","108","2","","","","","","","","4","P -4 21 c","P -4 2n","114","2,2-dinitratomethyl-5,5-bitetrazole","2,2-dinitratomethyl-5,5-bitetrazole","","- C4 H4 N10 O6 -","- C4 H4 N10 O6 -","- C16 H16 N40 O24 -","4","0.5","","Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg","N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive","Dalton Transactions","2021","","","","","10.1039/D1DT02731J","","x-ray","0.71073","MoKα","","0.0352","0.0304","","","0.0781","0.081","","","","","","1.069","","","","has coordinates","269383","2021-09-29","23:12:02",""
"7708470","17.1656","0.001","17.1656","0.001","6.704","0.0007","90","","90","","90","","1975.4","0.3","113","2","113","2","","","","","","","","3","I 41/a :2","-I 4ad","88","2,2-diazidomethyl-5,5-bitetrazole","2,2-diazidomethyl-5,5-bitetrazole","","- C4 H4 N14 -","- C4 H4 N14 -","- C32 H32 N112 -","8","0.5","","Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg","N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive","Dalton Transactions","2021","","","","","10.1039/D1DT02731J","","x-ray","0.71073","MoKα","","0.0752","0.0441","","","0.0862","0.0976","","","","","","1.035","","","","has coordinates","269383","2021-09-29","23:12:02",""
"7708471","8.3693","0.0004","8.2279","0.0004","6.7862","0.0003","90","","108.194","0.002","90","","443.95","0.04","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2-chloromethyl-5,5-bitetrazole","2,2-chloromethyl-5,5-bitetrazole","","- C4 H4 Cl2 N8 -","- C4 H4 Cl2 N8 -","- C8 H8 Cl4 N16 -","2","0.5","","Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg","N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive","Dalton Transactions","2021","","","","","10.1039/D1DT02731J","","","0.71073","MoKα","","0.0351","0.0273","","","0.0622","0.0683","","","","","","1.114","","","","has coordinates","269383","2021-09-29","23:12:02",""
"7708472","10.3127","0.0006","10.4419","0.0007","20.5492","0.0013","78.734","0.003","80.248","0.003","83.81","0.003","2132.4","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H42 N11 O13 Yb2 -","- C37 H42 N11 O13 Yb2 -","- C74 H84 N22 O26 Yb4 -","2","1","","Mondal, Arpan; Konar, Sanjit","A remarkable energy barrier for spin reversal in a field induced dinuclear ytterbium single molecule magnet","Dalton Transactions","2021","","","","","10.1039/D1DT02130C","","","0.71073","MoKα","","0.0299","0.0249","","","0.047","0.0593","","","","","","1.125","","","","has coordinates","269384","2021-09-29","23:12:47",""
"7708473","15.8862","0.0001","12.6096","0.0001","25.3661","0.0002","90","","94.189","0.001","90","","5067.73","0.07","200","0.1","200","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H98 Ag12 N6 O22 S12 -","- C78 H98 Ag12 N6 O22 S12 -","- C156 H196 Ag24 N12 O44 S24 -","2","0.5","","Li, Na-Na; Yang, Ming; Xu, Xiao-Jie; Dong, Xi-Yan; Li, Si; Zang, Shuang-Quan","Ensembles from Silver Clusters and Cucurbit[6]urils-contained Linkers","Dalton Transactions","2021","","","","","10.1039/D1DT02505H","","x-ray","1.54184","CuKα","","0.036","0.0323","","","0.0827","0.085","","","","","","1.048","","","","has coordinates,has disorder","269385","2021-09-29","23:14:02",""
"7708474","13.9198","0.0002","14.8144","0.0002","18.0353","0.0002","79.507","0.001","80.77","0.001","79.225","0.001","3561.59","0.08","199.99","0.1","199.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H148 Ag12 N32 O40 S14 -","- C88 H148 Ag12 N32 O40 S14 -","- C88 H148 Ag12 N32 O40 S14 -","1","0.5","","Li, Na-Na; Yang, Ming; Xu, Xiao-Jie; Dong, Xi-Yan; Li, Si; Zang, Shuang-Quan","Ensembles from Silver Clusters and Cucurbit[6]urils-contained Linkers","Dalton Transactions","2021","","","","","10.1039/D1DT02505H","","x-ray","1.54184","CuKα","","0.0736","0.0631","","","0.175","0.1808","","","","","","1.033","","","","has coordinates,has disorder","269385","2021-09-29","23:14:13",""
"7708475","15.29384","0.00008","25.34019","0.00012","21.44672","0.0001","90","","90.4025","0.0005","90","","8311.45","0.07","200","0.1","200","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C137 H150.5 Ag12 F24 N32.5 O33.5 S6 -","- C137 H150.5 Ag12 F24 N32.5 O33.5 S6 -","- C274 H301 Ag24 F48 N65 O67 S12 -","2","0.5","","Li, Na-Na; Yang, Ming; Xu, Xiao-Jie; Dong, Xi-Yan; Li, Si; Zang, Shuang-Quan","Ensembles from Silver Clusters and Cucurbit[6]urils-contained Linkers","Dalton Transactions","2021","","","","","10.1039/D1DT02505H","","x-ray","1.54184","CuKα","","0.0452","0.0392","","","0.1003","0.1033","","","","","","1.024","","","","has coordinates,has disorder","269385","2021-09-29","23:14:16",""
"7708476","14.7785","0.0017","15.0645","0.0013","29.008","0.003","90","","92.988","0.01","90","","6449.3","1.1","200","0.1","200","0.1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C100 H119.96 Ag12 N28 O36 S14 -","- C100 H119.964 Ag12 N28 O36 S14 -","- C200 H239.928 Ag24 N56 O72 S28 -","2","0.5","","Li, Na-Na; Yang, Ming; Xu, Xiao-Jie; Dong, Xi-Yan; Li, Si; Zang, Shuang-Quan","Ensembles from Silver Clusters and Cucurbit[6]urils-contained Linkers","Dalton Transactions","2021","","","","","10.1039/D1DT02505H","","x-ray","1.54184","CuKα","","0.1558","0.1317","","","0.343","0.3621","","","","","","1.072","","","","has coordinates,has disorder","269385","2021-09-29","23:14:26",""
"7708477","9.0324","0.0004","16.1088","0.0008","21.3757","0.0011","90","","90","","90","","3110.2","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Br2 P2 -","- C30 H46 Br2 P2 -","- C120 H184 Br8 P8 -","4","0.5","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.0453","0.0293","","","0.0697","0.0757","","","","","","1.02","","","","has coordinates","269386","2021-09-29","23:16:01",""
"7708478","6.145","0.0012","8.464","0.0017","21.62","0.004","90","","92.81","0.03","90","","1123.1","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 P2 -","- C24 H34 P2 -","- C48 H68 P4 -","2","0.5","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.0382","0.0305","","","0.0843","0.0865","","","","","","1.028","","","","has coordinates","269386","2021-09-29","23:16:01",""
"7708479","9.7477","0.0016","12.232","0.002","13.591","0.002","90.634","0.004","102.776","0.003","96.594","0.003","1568.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H46 Br2 P2 -","- C30 H46 Br2 P2 -","- C60 H92 Br4 P4 -","2","1","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.0342","0.0261","","","0.0674","0.0713","","","","","","1.026","","","","has coordinates,has disorder","269386","2021-09-29","23:16:01",""
"7708480","11.9767","0.0002","11.9767","0.0002","19.3408","0.0004","90","","90","","90","","2774.27","0.09","150","2","150","2","","","","","","","","3","P -4 n 2","P -4 -2n","118","","","","- C60 H80 P4 -","- C60 H80 P4 -","- C120 H160 P8 -","2","0.25","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.0418","0.0357","","","0.0897","0.0951","","","","","","1.048","","","","has coordinates,has disorder","269386","2021-09-29","23:16:01",""
"7708481","14.2549","0.0015","9.791","0.001","14.6252","0.0015","90","","115.911","0.002","90","","1836","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 N2 P -","- C19 H29 N2 P -","- C76 H116 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Hering-Junghans, Christian","Phosphine-catalysed reductive coupling of Dihalophosphanes","Dalton Transactions","2021","","","","","10.1039/D1DT03095G","","","0.71073","MoKα","","0.053","0.0407","","","0.1017","0.1118","","","","","","1.014","","","","has coordinates","269386","2021-09-29","23:16:02",""
"7708482","12.0857","0.0004","16.1733","0.0006","17.0208","0.0008","113.084","0.004","94.696","0.003","96.905","0.003","3007.9","0.2","142","9","142","9","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H34.5 Mn3 N16.5 Na2 O12.5 -","- C41.5 H34.5 Mn3 N16.5 Na2 O12.5 -","- C83 H69 Mn6 N33 Na4 O25 -","2","1","","Li, Yongfei; Sun, Xiao; Chen, Peiqiong; Liu, Hou-Ting; Li, Jing; Liu, Dan; Li, Dacheng; Dou, Jianmin; Tian, Haiquan","Modulating the relaxation dynamics of the Na2Mn3 system via an auxiliary anion change","Dalton Transactions","2021","","","","","10.1039/D1DT01237A","","","1.54184","CuKα","","0.061","0.0435","","","0.1447","0.1747","","","","","","0.691","","","","has coordinates,has disorder","269410","2021-09-30","23:05:22",""
"7708483","15.5604","0.001","19.6759","0.0014","20.1662","0.0014","90","","108.322","0.007","90","","5861.2","0.7","136","4","136","4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H33 Mn3 N18 Na2 O12 -","- C41 H33 Mn3 N18 Na2 O12 -","- C164 H132 Mn12 N72 Na8 O48 -","4","1","","Li, Yongfei; Sun, Xiao; Chen, Peiqiong; Liu, Hou-Ting; Li, Jing; Liu, Dan; Li, Dacheng; Dou, Jianmin; Tian, Haiquan","Modulating the relaxation dynamics of the Na2Mn3 system via an auxiliary anion change","Dalton Transactions","2021","","","","","10.1039/D1DT01237A","","","1.54184","CuKα","","0.1118","0.066","","","0.1925","0.2515","","","","","","0.789","","","","has coordinates","269410","2021-09-30","23:05:23",""
"7708484","19.3851","0.0005","19.3851","0.0005","32.649","0.0015","90","","90","","90","","12268.9","0.7","293","2","293","2","","","","","","","","6","P -4 n 2","P -4 -2n","118","","","","- C272 H256 Cd3 N48 O16 Sm2 -","- C272 H256 Cd3 N48 O16 Sm2 -","- C544 H512 Cd6 N96 O32 Sm4 -","2","0.25","","Liu, Chao; Yang, Wei; Wang, Jingjing; Ding, Xu; Ren, Huimin; Chen, Yuxiang; Xie, Zheng; Sun, Tingting; Jiang, Jianzhuang","A sextuple-decker heteroleptic phthalocyanine heterometallic samarium‒cadmium complex with crystal structure and nonlinear optical properties in solution and gel glass","Dalton Transactions","2021","","","","","10.1039/D1DT02963K","","","1.54178","CuKα","","0.127","0.0707","","","0.183","0.2222","","","","","","0.939","","","","has coordinates,has disorder","269411","2021-09-30","23:05:56",""
"7708485","13.7079","0.0003","15.0694","0.0002","22.7536","0.0004","97.3001","0.0015","100.286","0.0017","102.884","0.0016","4439.47","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C186 H229 Li2 N5 O17 Pb4 -","- C186 H229 Li2 N5 O17 Pb4 -","- C186 H229 Li2 N5 O17 Pb4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","1.54178","CuKα","K-L~3~","0.0963","0.0795","","","0.1226","0.1279","","","","","","1.228","","","","has coordinates,has disorder","269412","2021-09-30","23:08:01",""
"7708486","23.1594","0.0004","25.7268","0.0004","28.7875","0.0006","69.691","0.002","72.882","0.002","85.768","0.001","15365.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C282 H340 Cl2 Li10 N9 O30 Pb8 -","- C282 H340 Cl2 Li10 N9 O30 Pb8 -","- C564 H680 Cl4 Li20 N18 O60 Pb16 -","2","1","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","0.71075","MoKα","K-L~3~","0.1017","0.0679","","","0.1749","0.2026","","","","","","1.015","","","","has coordinates","269412","2021-09-30","23:08:02",""
"7708487","18.0913","0.0003","18.1443","0.0003","19.6341","0.0003","66.654","0.002","73.896","0.002","89.95","0.001","5641.5","0.2","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C215 H264.5 N19.5 O20 Pb12 -","- C200 H242 N12 O20 Pb12 -","- C200 H242 N12 O20 Pb12 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","0.71075","MoKα","","0.0713","0.0571","","","0.1533","0.1623","","","","","","1.041","","","","has coordinates,has disorder","269412","2021-09-30","23:08:02",""
"7708488","17.5373","0.0003","17.9311","0.0004","21.0467","0.0004","67.965","0.002","86.038","0.001","64.379","0.002","5497.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C236.9 H277.6 O20 Pb12 -","- C236.9 H277.6 O20 Pb12 -","- C236.9 H277.6 O20 Pb12 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","","0.71075","MoKα","","0.0574","0.0438","","","0.107","0.1139","","","","","","1.02","","","","has coordinates,has disorder","269412","2021-09-30","23:08:03",""
"7708489","19.7928","0.0002","33.7801","0.0003","24.5621","0.0003","90","","105.549","0.001","90","","15821.3","0.3","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C68 H81 Cl0.5 Li N O8.5 Pb5 -","- C68 H81 Cl0.5 Li N O8.5 Pb5 -","- C544 H648 Cl4 Li8 N8 O68 Pb40 -","8","1","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","0.71075","MoKα","K-L~3~","0.0647","0.0389","","","0.0831","0.0897","","","","","","1.059","","","","has coordinates,has disorder","269412","2021-09-30","23:08:03",""
"7708490","19.2866","0.0002","23.0573","0.0003","29.8976","0.0004","72.2187","0.0011","82.1388","0.001","67.9805","0.0011","11733","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C214 H263.5 N3.5 O29 Pb13 -","- C214 H263.5 N3.5 O29 Pb13 -","- C428 H527 N7 O58 Pb26 -","2","1","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","0.71075","MoKα","K-L~3~","0.1214","0.0756","","","0.1448","0.1628","","","","","","1.027","","","","has coordinates,has disorder","269412","2021-09-30","23:08:03",""
"7708491","14.3597","0.0005","15.8609","0.0008","15.8791","0.0006","66.795","0.005","67.082","0.004","88.389","0.003","3027.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H122 Cl2 O10 Pb6 Si2 -","- C94 H122 Cl2 O10 Pb6 Si2 -","- C94 H122 Cl2 O10 Pb6 Si2 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Redshaw, Carl","Lead calix[n]arenes (n=4, 6, 8): Structures and ring opening homo-/co-polymerization capability for cyclic esters","Dalton Transactions","2021","","","","","10.1039/D1DT02790E","","x-ray","0.71075","MoKα","K-L~3~","0.1246","0.0816","","","0.2","0.2366","","","","","","1.035","","","","has coordinates,has disorder","269412","2021-09-30","23:08:03",""
"7708492","4.3082","0.0003","15.9548","0.0012","17.9101","0.0014","90","","91.975","0.003","90","","1230.35","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AB39","","","- C9 H11 Ag2 N4 S -","- C9 H11 Ag2 N4 S -","- C36 H44 Ag8 N16 S4 -","4","1","","soleymani babadi, susan; Beheshti, Azizollah; Nasiri, Elahe; Bahrani-Pour, Maryam; Motamedie, Hossein; Mayer, Peter","Simple synthesis of the unpresented magnetic nanocomposites based on the Ag coordination polymers with a good separation capacity and repeatable antibacterial activities with high performance","Dalton Transactions","2021","","","","","10.1039/D1DT00176K","","","0.71073","MoKα","","0.0672","0.0356","","","0.0658","0.0745","","","","","","0.677","","","","has coordinates","269413","2021-09-30","23:09:04",""
"7708493","12.5586","0.0006","8.0921","0.0004","15.2637","0.0008","90","","93.729","0.002","90","","1547.9","0.13","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","AB36","","","- C26 H32 Ag3 N11 -","- C26 H32 Ag3 N11 -","- C52 H64 Ag6 N22 -","2","0.5","","soleymani babadi, susan; Beheshti, Azizollah; Nasiri, Elahe; Bahrani-Pour, Maryam; Motamedie, Hossein; Mayer, Peter","Simple synthesis of the unpresented magnetic nanocomposites based on the Ag coordination polymers with a good separation capacity and repeatable antibacterial activities with high performance","Dalton Transactions","2021","","","","","10.1039/D1DT00176K","","","0.71073","MoKα","","0.056","0.0353","","","0.0786","0.0922","","","","","","1.034","","","","has coordinates","269413","2021-09-30","23:09:05",""
"7708494","9.5798","0.0003","15.3141","0.0005","15.8858","0.0006","115.173","0.002","95.224","0.002","106.201","0.002","1965.59","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl4 N4 Sn2 -","- C14 H14 Cl4 N4 Sn2 -","- C56 H56 Cl16 N16 Sn8 -","4","2","","Jambor, Roman; Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Ruzickova, Zdenka; Podzimek, Stepan","N-donor Stabilized Tin(II) Cations as Efficient ROP Catalysts for Synthesis of Linear and Star-Shaped PLAs via Activated Monomer Mechanism","Dalton Transactions","2021","","","","","10.1039/D1DT02658E","","","0.71073","MoKα","","0.067","0.0337","","","0.0496","0.0565","","","","","","1.001","","","","has coordinates","269442","2021-10-01","23:01:36",""
"7708495","9.4888","0.0004","13.3072","0.0006","13.3311","0.0006","103.695","0.002","105.95","0.002","110.086","0.002","1414.18","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 F6 N4 O8 S2 Sn -","- C20 H24 F6 N4 O8 S2 Sn -","- C40 H48 F12 N8 O16 S4 Sn2 -","2","1","","Jambor, Roman; Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Ruzickova, Zdenka; Podzimek, Stepan","N-donor Stabilized Tin(II) Cations as Efficient ROP Catalysts for Synthesis of Linear and Star-Shaped PLAs via Activated Monomer Mechanism","Dalton Transactions","2021","","","","","10.1039/D1DT02658E","","","0.71073","MoKα","","0.0529","0.0421","","","0.1082","0.1165","","","","","","1.092","","","","has coordinates,has disorder","269442","2021-10-01","23:01:37",""
"7708496","10.063","0.0007","21.331","0.003","13.775","0.0015","90","","104.481","0.007","90","","2862.9","0.6","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl4 N2 Sn -","- C31 H24 Cl4 N2 Sn -","- C124 H96 Cl16 N8 Sn4 -","4","1","","Jambor, Roman; Novák, Miroslav; Turek, Jan; Milasheuskaya, Yaraslava; Ruzickova, Zdenka; Podzimek, Stepan","N-donor Stabilized Tin(II) Cations as Efficient ROP Catalysts for Synthesis of Linear and Star-Shaped PLAs via Activated Monomer Mechanism","Dalton Transactions","2021","","","","","10.1039/D1DT02658E","","","0.71073","MoKα","","0.0469","0.0253","","","0.0527","0.0597","","","","","","1.048","","","","has coordinates","269442","2021-10-01","23:01:37",""
"7708497","9.0759","0.0005","11.4561","0.0007","20.3379","0.0012","86.205","0.003","86.487","0.003","72.612","0.003","2011.7","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H36 Cl2 O2 P2 -","- C45 H36 Cl2 O2 P2 -","- C90 H72 Cl4 O4 P4 -","2","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","0.71073","MoKα","","0.0528","0.0411","","","0.0981","0.1067","","","","","","1.029","","","","has coordinates,has disorder","269444","2021-10-01","23:03:05",""
"7708498","10.5546","0.0009","8.3898","0.0007","23.5993","0.0019","90","","90","","90","","2089.7","0.3","110","","110","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H18 O5 -","- C10 H18 O5 -","- C80 H144 O40 -","8","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","1.54178","CuKα","","0.0403","0.038","","","0.1007","0.1042","","","","","","1.083","","","","has coordinates","269444","2021-10-01","23:03:05",""
"7708499","9.6844","0.0003","11.1339","0.0004","13.0829","0.0005","99.306","0.001","96.035","0.001","90.687","0.001","1383.78","0.08","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H48 O5 P -","- C28 H48 O5 P -","- C56 H96 O10 P2 -","2","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","0.71073","MoKα","","0.0426","0.0395","","","0.0993","0.1015","","","","","","1.021","","","","has coordinates,has disorder","269444","2021-10-01","23:03:05",""
"7708500","16.0424","0.0017","11.7362","0.0012","14.7397","0.0016","90","","106.362","0.003","90","","2662.8","0.5","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 O5 P -","- C31 H37 O5 P -","- C124 H148 O20 P4 -","4","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","0.71073","MoKα","","0.0482","0.0392","","","0.0938","0.0999","","","","","","1.084","","","","has coordinates,has disorder","269444","2021-10-01","23:03:05",""
"7708501","21.0842","0.0016","11.7871","0.0009","21.7655","0.0017","90","","90","","90","","5409.2","0.7","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H37 O5 P -","- C31 H37 O5 P -","- C248 H296 O40 P8 -","8","1","","Arp, Fabian Felix; Ashirov, Rahym; Bhuvanesh, Nattamai; Bluemel, Janet","Di(hydroperoxy)adamantane Adducts: Synthesis, Characterization and Application as Oxidizers for the Direct Esterification of Aldehydes","Dalton Transactions","2021","","","","","10.1039/D1DT03243G","","","0.71073","MoKα","","0.0456","0.0341","","","0.0862","0.0945","","","","","","1.063","","","","has coordinates,has disorder","269444","2021-10-01","23:03:06",""
"7708502","8.7416","0.0004","14.1281","0.0007","17.1398","0.0008","69.306","0.004","89.512","0.004","76.786","0.004","1921.72","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","plutonyldichloride bis(tricyclohexylphosphine oxide)","plutoniumdioxodicholoro bis(tricyclyhexylphosphine oxide)","","- C36 H66 Cl2 O4 P2 Pu -","- C36 H66 Cl2 O4 P2 Pu -","- C72 H132 Cl4 O8 P4 Pu2 -","2","1","","Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.","Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex","Dalton Transactions","2021","","","","","10.1039/D1DT03041H","","x-ray","0.71073","MoKα","","0.0832","0.0399","","","0.0782","0.0829","","","","","","0.877","","","","has coordinates","269445","2021-10-01","23:04:18",""
"7708503","8.5735","0.0006","16.4438","0.001","14.6892","0.0009","90","","103.075","0.006","90","","2017.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","uranyldinitrate bis(tricyclohexylphosphine oxide)","uraniumdioxodinitrato bis(tricyclohexylphosphine oxide)","","- C36 H66 N2 O10 P2 U -","- C36 H66 N2 O10 P2 U -","- C72 H132 N4 O20 P4 U2 -","2","0.5","","Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.","Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex","Dalton Transactions","2021","","","","","10.1039/D1DT03041H","","x-ray","0.71073","MoKα","","0.0557","0.0399","","","0.0822","0.0851","","","","","","0.9","","","","has coordinates","269445","2021-10-01","23:04:19",""
"7708504","8.7605","0.0002","14.1151","0.0004","17.1633","0.0005","69.441","0.003","89.371","0.002","77.147","0.002","1932.13","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","uranyldichloride bis(tricyclyhexylphosphine oxide)","uraniumdioxodicholoro bis(tricyclyhexylphosphine oxide)","","- C36 H66 Cl2 O4 P2 U -","- C36 H66 Cl2 O4 P2 U -","- C72 H132 Cl4 O8 P4 U2 -","2","1","","Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.","Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex","Dalton Transactions","2021","","","","","10.1039/D1DT03041H","","x-ray","0.71073","MoKα","","0.0475","0.027","","","0.0471","0.0549","","","","","","0.911","","","","has coordinates","269445","2021-10-01","23:04:19",""
"7708505","10.0387","0.0006","18.654","0.0011","10.7043","0.0006","90","","117.802","0.002","90","","1773.12","0.18","170","2","170","2","","","","","","","","6","P 1 21 1","P 2yb","4","uranyldichloride bis(triphenylphosphine oxide)","uraniumdioxodicholoro bis(triphenylphosphine oxide)","","- C36 H30 Cl2 O4 P2 U -","- C36 H30 Cl2 O4 P2 U -","- C72 H60 Cl4 O8 P4 U2 -","2","1","","Windorff, Cory James; Beltrán Leiva, María Joaquina; Albrecht-Schmitt, Thomas E.; Bai, Zhuanling; Celis-Barros, Cristian; Goodwin, Conrad Alexander Phillip; Huffman, Zachary; McKinnon, Noah C.; Sperling, Joseph M.","Synthesis, characterization, and theoretical analysis of a plutonyl phosphine oxide complex","Dalton Transactions","2021","","","","","10.1039/D1DT03041H","","","0.71073","MoKα","","0.0317","0.0278","","","0.0635","0.0651","","","","","","1.033","","","","has coordinates","269445","2021-10-01","23:04:19",""
"7708506","8.5329","0.0004","34.8978","0.0014","52.933","0.002","90","","90","","90","","15762.4","1.1","296","2","296.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H22 Eu N O10 -","- C33 H22 Eu N O10 -","- C528 H352 Eu16 N16 O160 -","16","1","","Zhang, Mengyao; Yi, Fengying; Liu, Lanjun; Yan, Guoping; Liu, Hui; Guo, Junfang","An europium(III) metal–organic framework as a multi-responsive luminescent sensor for highly sensitive and selective detection of 4‐nitrophenol , I– and Fe3+ in water","Dalton Transactions","2021","","","","","10.1039/D1DT02312H","","","0.71073","MoKα","","0.0553","0.039","","","0.0807","0.0855","","","","","","0.915","","","","has coordinates","269451","2021-10-02","23:01:32",""
"7708507","11.0213","0.0005","17.0939","0.0008","15.5201","0.0007","90","","107.132","0.001","90","","2794.2","0.2","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H9 N2 O8 Zn -","- C20 H10 N2 O8 Zn -","- C80 H40 N8 O32 Zn4 -","4","1","","Cheng, Hao; Song, Fu-Qiang; Zhao, NaNa; Song, Xue-Qin","A hydrostable Zn2+ Coordination Polymer for Multifunction Detection of Inorganic and Organic Contaminants in Water","Dalton Transactions","2021","","","","","10.1039/D1DT03022A","","","0.71073","MoKα","","0.0778","0.0644","","","0.1792","0.1858","","","","","","1.097","","","","has coordinates","269551","2021-10-04","23:02:17",""
"7708508","11.606","0.002","16.23","0.003","16.353","0.003","69.543","0.003","81.622","0.003","76.793","0.004","2802.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H44 Cl20 Ir2 N2 -","- C39 H44 Cl20 Ir2 N2 -","- C78 H88 Cl40 Ir4 N4 -","2","1","","Golding, Taryn; Mbaba, Mziyanda; Smith, Gregory","Modular synthesis of antimalarial quinoline-based PGM metallarectangles","Dalton Transactions","2021","","","","","10.1039/D1DT02842A","","","0.71073","MoKα","","0.0954","0.0548","","","0.1106","0.1271","","","","","","0.987","","","","has coordinates,has disorder","269552","2021-10-04","23:02:42",""
"7708509","10.5751","0.0003","29.5477","0.001","12.0766","0.0004","90","","108.748","0.001","90","","3573.4","0.2","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C39 H37 Br Mn N O3 P2 -","- C39 H37 Br Mn N O3 P2 -","- C156 H148 Br4 Mn4 N4 O12 P8 -","4","2","","Jayaprakash, Harikrishnan","Mn(i) phosphine-amino-phosphinites: a highly modular class of pincer complexes for enantioselective transfer hydrogenation of aryl-alkyl ketones","Dalton Transactions","2021","","","","","10.1039/D1DT02257A","","x-ray","1.54178","CuKα","K-L~3~","0.0537","0.0531","","","0.1296","0.1308","","","","","","1.026","","","","has coordinates,has disorder","269553","2021-10-04","23:03:27",""
"7708510","14.3526","0.0005","10.3708","0.0004","19.811","0.0006","90","","107.76","0.002","90","","2808.29","0.17","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Co N2 S4 -","- C30 H32 Co N2 S4 -","- C120 H128 Co4 N8 S16 -","4","1","","Elsby, Matthew; Kim, Scott Y. H.; Steinmann, Stephan; Baker, R. Tom","Same ligand, three first-row metals: Comparing M-amido bifunctional reactivity (Mn, Fe, Co)","Dalton Transactions","2021","","","","","10.1039/D1DT02637B","","","0.71073","MoKα","","0.0783","0.0424","","","0.092","0.1076","","","","","","1.012","","","","has coordinates","269801","2021-10-06","23:05:44",""
"7708511","11.6366","0.0002","22.1801","0.0003","29.5908","0.0003","70.754","0.001","89.232","0.001","80.429","0.001","7103.17","0.18","296.8","0.7","296.8","0.7","","","","","","","","6","P -1","-P 1","2","","","","- C156 H116 N10 O26 Pr4 S6 -","- C156 H116 N10 O26 Pr4 S6 -","- C312 H232 N20 O52 Pr8 S12 -","2","1","","Wang, Shu-ju; Li, Qian; Xiu, Guan-Lin; You, Li-Xin; Ding, Fu; Van Deun, Rik; Dragutan, Ileana; Dragutan, Valerian; Sun, Yaguang","New Ln-MOFs based on mixed organic ligands: synthesis, structure and efficient luminescence sensing of the Hg2+ ion in aqueous solutions","Dalton Transactions","2021","","","","","10.1039/D1DT02687A","","x-ray","1.54184","CuKα","","0.0809","0.063","","","0.1825","0.1963","","","","","","1.063","","","","has coordinates,has disorder","269802","2021-10-06","23:08:48",""
"7708512","11.4955","0.0001","22.0977","0.0003","29.098","0.0003","108.942","0.001","90.104","0.001","98.54","0.001","6903.91","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H120 Eu4 N10 O28 S6 -","- C156 H120 Eu4 N10 O28 S6 -","- C312 H240 Eu8 N20 O56 S12 -","2","1","","Wang, Shu-ju; Li, Qian; Xiu, Guan-Lin; You, Li-Xin; Ding, Fu; Van Deun, Rik; Dragutan, Ileana; Dragutan, Valerian; Sun, Yaguang","New Ln-MOFs based on mixed organic ligands: synthesis, structure and efficient luminescence sensing of the Hg2+ ion in aqueous solutions","Dalton Transactions","2021","","","","","10.1039/D1DT02687A","","x-ray","1.54184","CuKα","","0.0454","0.0398","","","0.1048","0.1078","","","","","","1.053","","","","has coordinates,has disorder","269802","2021-10-06","23:08:49",""
"7708513","11.4799","0.0001","22.0925","0.0002","29.001","0.0003","108.939","0.001","90.464","0.001","98.185","0.001","6874.59","0.12","100","0.13","100","0.13","","","","","","","","6","P -1","-P 1","2","","","","- C156 H120 N10 O28 S6 Tb4 -","- C156 H120 N10 O28 S6 Tb4 -","- C312 H240 N20 O56 S12 Tb8 -","2","1","","Wang, Shu-ju; Li, Qian; Xiu, Guan-Lin; You, Li-Xin; Ding, Fu; Van Deun, Rik; Dragutan, Ileana; Dragutan, Valerian; Sun, Yaguang","New Ln-MOFs based on mixed organic ligands: synthesis, structure and efficient luminescence sensing of the Hg2+ ion in aqueous solutions","Dalton Transactions","2021","","","","","10.1039/D1DT02687A","","x-ray","1.54184","CuKα","","0.0528","0.0455","","","0.1246","0.1285","","","","","","1.106","","","","has coordinates,has disorder","269802","2021-10-06","23:08:49",""
"7708514","11.5849","0.0001","22.0997","0.0002","29.3064","0.0003","71.07","0.001","89.076","0.001","80.444","0.001","6993.09","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C156 H120 Ce4 N10 O28 S6 -","- C156 H120 Ce4 N10 O28 S6 -","- C312 H240 Ce8 N20 O56 S12 -","2","1","","Wang, Shu-ju; Li, Qian; Xiu, Guan-Lin; You, Li-Xin; Ding, Fu; Van Deun, Rik; Dragutan, Ileana; Dragutan, Valerian; Sun, Yaguang","New Ln-MOFs based on mixed organic ligands: synthesis, structure and efficient luminescence sensing of the Hg2+ ion in aqueous solutions","Dalton Transactions","2021","","","","","10.1039/D1DT02687A","","x-ray","1.54184","CuKα","","0.0382","0.0356","","","0.0961","0.0977","","","","","","1.052","","","","has coordinates,has disorder","269802","2021-10-06","23:08:49",""
"7708515","4.89","0.0005","4.89","0.0005","7.7146","0.001","90","","90","","120","","159.76","0.03","300","","300","","","","","","","","","5","P -3","-P 3","147","","","","- B2 Ba F2 O6 Zn3 -","- B2 Ba F2 O6 Zn3 -","- B2 Ba F2 O6 Zn3 -","1","0.166667","","Qiu, Haotian; Xia, Ming; Cai, Wenbing; Yang, Zhihua; Liu, Yanli; Mutailipu, Miriding; Pan, Shilie","BaZn<sub>3</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a new beryllium-free zincoborate with a KBBF-type structure.","Dalton transactions (Cambridge, England : 2003)","2021","50","38","13216","13219","10.1039/d1dt02356j","","","0.71073","MoKα","","0.0102","0.0098","","","0.0245","0.0245","","","","","","1.218","","","","has coordinates","269803","2021-10-06","23:09:34",""
"7708516","10.265","0.002","11.626","0.002","12.091","0.002","83.66","0.03","68.19","0.03","64.34","0.03","1205.4","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H76 N4 Ni2 Si2 -","- C50 H76 N4 Ni2 Si2 -","- C50 H76 N4 Ni2 Si2 -","1","0.5","","Kaufmann, Sebastian; Köppe, Ralf; Roesky, Peter W.","A square planar silylene nickel four-membered ring.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02846d","","","0.71073","MoKα","","0.0714","0.0464","","","0.1068","0.1133","","","","","","0.892","","","","has coordinates","269804","2021-10-06","23:09:49",""
"7708517","9.4355","0.0002","6.9168","0.0002","8.3374","0.0002","90","","105.168","0.002","90","","525.17","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi I O7 S -","- Bi I O7 S -","- Bi4 I4 O28 S4 -","4","1","","Li, Yi-Lin; Hu, Chun-Li; Chen, Jin; Mao, Jiang-Gao","Two Bismuth Iodate Sulfates with Enhanced Optical Anisotropy","Dalton Transactions","2021","","","","","10.1039/D1DT02514G","","","0.71073","MoKα","","0.0223","0.0215","","","0.049","0.0493","","","","","","1.115","","","","has coordinates","269805","2021-10-06","23:10:19",""
"7708518","12.777","0.002","6.8491","0.0009","9.9835","0.0014","90","","103.226","0.015","90","","850.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Bi Cd I O11 S2 -","- Bi Cd I O11 S2 -","- Bi4 Cd4 I4 O44 S8 -","4","1","","Li, Yi-Lin; Hu, Chun-Li; Chen, Jin; Mao, Jiang-Gao","Two Bismuth Iodate Sulfates with Enhanced Optical Anisotropy","Dalton Transactions","2021","","","","","10.1039/D1DT02514G","","","0.71073","MoKα","","0.038","0.0299","","","0.05","0.0534","","","","","","1.018","","","","has coordinates","269805","2021-10-06","23:10:19",""
"7708519","9.287","0.0009","10.132","0.0011","12.9067","0.0016","112.121","0.009","96.839","0.009","101.771","0.008","1075.4","0.2","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 Fe2 O2 -","- C28 H26 Fe2 O2 -","- C56 H52 Fe4 O4 -","2","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.0342","0.0317","","","0.0782","0.0795","","","","","","1.038","","","","has coordinates","269806","2021-10-06","23:12:16",""
"7708520","12.838","0.0004","15.1737","0.0005","23.1393","0.0008","95.572","0.003","99.689","0.003","101.636","0.003","4311.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C76 H46 B2 F36 Fe2 O3 -","- C76 H46 B2 F36 Fe2 O3 -","- C152 H92 B4 F72 Fe4 O6 -","2","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.1164","0.0619","","","0.1592","0.1883","","","","","","1.026","","","","has coordinates,has disorder","269806","2021-10-06","23:12:18",""
"7708521","15.9862","0.0005","40.2342","0.0008","14.6279","0.0003","90","","90","","90","","9408.5","0.4","100","","100","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C29 H22 F6 Fe2 O -","- C29 H22 F6 Fe2 O -","- C464 H352 F96 Fe32 O16 -","16","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.0264","0.0238","","","0.0577","0.0589","","","","","","1.024","","","","has coordinates","269806","2021-10-06","23:12:18",""
"7708522","8.992","0.003","10.149","0.003","12.791","0.004","77.41","0.02","69.79","0.02","86.91","0.02","1068.8","0.6","100","","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 Fe2 O -","- C28 H26 Fe2 O -","- C56 H52 Fe4 O2 -","2","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.0291","0.0256","","","0.0655","0.0677","","","","","","1.029","","","","has coordinates","269806","2021-10-06","23:12:18",""
"7708523","7.3454","0.0004","9.8358","0.0005","21.9928","0.001","76.924","0.004","82.001","0.004","76.922","0.004","1501.1","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H23 F13 Fe2 O -","- C33 H23 F13 Fe2 O -","- C66 H46 F26 Fe4 O2 -","2","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.0608","0.0394","","","0.0822","0.0926","","","","","","1.045","","","","has coordinates","269806","2021-10-06","23:12:18",""
"7708524","13.5975","0.0008","14.23","0.001","19.866","0.0015","78.08","0.006","85.474","0.006","66.115","0.005","3438.9","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C130 H68 B2 F74 Fe4 -","- C130 H68 B2 F74 Fe4 -","- C130 H68 B2 F74 Fe4 -","1","0.5","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.2232","0.1202","","","0.3318","0.3944","","","","","","1.102","","","","has coordinates,has disorder","269806","2021-10-06","23:12:18",""
"7708525","10.2087","0.0003","22.3002","0.0008","9.2773","0.0002","90","","92.14","0.002","90","","2110.56","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Br Fe2 O -","- C27 H23 Br Fe2 O -","- C108 H92 Br4 Fe8 O4 -","4","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","","0.71073","MoKα","","0.0375","0.0316","","","0.0777","0.0833","","","","","","1.074","","","","has coordinates","269806","2021-10-06","23:12:18",""
"7708526","13.0996","0.0005","20.203","0.0007","22.6739","0.0009","90","","92.688","0.003","90","","5994.1","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H33 B F30 Fe2 -","- C61 H33 B F30 Fe2 -","- C244 H132 B4 F120 Fe8 -","4","1","","Casper, Larissa Alina; Ebel, Viktoria; Linseis, Michael; Winter, Rainer","Five Shades of Green: Substituent Influence on the (Spectro-) Electrochemical Properties of Diferrocenylphenyl Methylium Dyes","Dalton Transactions","2021","","","","","10.1039/D1DT03009D","","x-ray","1.54186","CuKα","","0.2048","0.1348","","","0.3436","0.4318","","","","","","1.475","","","","has coordinates,has disorder","269806","2021-10-06","23:12:19",""
"7708527","11.5655","0.0009","15.3903","0.0012","16.1262","0.0012","104.395","0.003","104.143","0.003","100.801","0.003","2600.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","barium N,N'-diisobutyldithiocarbamate","","- C36 H72 Ba2 N4 S8 -","- C36 H72 Ba2 N4 S8 -","- C72 H144 Ba4 N8 S16 -","2","1","","Ingram, Nicole E.; Jordan, Brian J.; Donnadieu, Bruno; Creutz, Sidney E.","Barium and titanium dithiocarbamates as precursors for colloidal nanocrystals of emerging optoelectronic materials.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03018c","","","0.71073","MoKα","","0.0355","0.0245","","","0.0474","0.0508","","","","","","1.044","","","","has coordinates","269807","2021-10-06","23:13:34",""
"7708528","14.5911","0.0007","23.6067","0.0012","22.2683","0.0012","90","","105.991","0.002","90","","7373.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","barium N,N'-diisopropyldithiocarbamate","","- C50 H100 Ba3 N6 O2 S12 -","- C50 H100 Ba3 N6 O2 S12 -","- C200 H400 Ba12 N24 O8 S48 -","4","1","","Ingram, Nicole E.; Jordan, Brian J.; Donnadieu, Bruno; Creutz, Sidney E.","Barium and titanium dithiocarbamates as precursors for colloidal nanocrystals of emerging optoelectronic materials.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03018c","","","0.71073","MoKα","","0.0994","0.0483","","","0.0759","0.0887","","","","","","1.005","","","","has coordinates,has disorder","269807","2021-10-06","23:13:34",""
"7708529","11.721","0.003","13.229","0.004","14.256","0.004","71.461","0.011","84.633","0.008","76.338","0.006","2036.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 I2 N2 P2 Pt2 -","- C42 H46 I2 N2 P2 Pt2 -","- C84 H92 I4 N4 P4 Pt4 -","2","1","","Nabavizadeh, S. Masoud; Molaee, Hajar; Haddadi, Elahe; Niroomand Hosseini, Fatemeh; Hoseini, S. Jafar; Abu-Omar, Mahdi M","Tetranuclear rollover cyclometalated organoplatinum-rhenium compounds; C-I oxidative addition and C-C reductive elimination using a rollover cycloplatinated dimer.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02086b","","","0.71073","MoKα","","0.0801","0.0475","","","0.1048","0.1188","","","","","","0.992","","","","has coordinates","269808","2021-10-06","23:14:02",""
"7708530","13.832","0.002","14.555","0.003","20.138","0.004","84.923","0.006","80.195","0.006","87.158","0.006","3976.9","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H53 Cl Cu5 N15 O20 -","- C78 H53 Cl Cu5 N15 O20 -","- C156 H106 Cl2 Cu10 N30 O40 -","2","1","","Zhu, Ke; Fan, Ruiqing; Zhang, Jian; Jiang, Xin; Jia, Wenwen; Wang, Bowen; Lu, Haoyang; Wu, Jingkun; Wang, Ping; Yang, Yulin","Dual-emission 3D supramolecular framework hydrogel beads: highly selective detection of antibiotics and mechanism research","Dalton Transactions","2021","","","","","10.1039/D1DT02733F","","","0.71073","MoKα","","0.0734","0.0556","","","0.156","0.173","","","","","","1.028","","","","has coordinates","269857","2021-10-07","22:55:59",""
"7708531","10.1215","0.0005","20.6659","0.0011","10.3207","0.0007","90","","93.249","0.002","90","","2155.3","0.2","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H21 Cu N5 O7 -","- C19 H21 Cu N5 O7 -","- C76 H84 Cu4 N20 O28 -","4","1","","Zhu, Ke; Fan, Ruiqing; Zhang, Jian; Jiang, Xin; Jia, Wenwen; Wang, Bowen; Lu, Haoyang; Wu, Jingkun; Wang, Ping; Yang, Yulin","Dual-emission 3D supramolecular framework hydrogel beads: highly selective detection of antibiotics and mechanism research","Dalton Transactions","2021","","","","","10.1039/D1DT02733F","","","0.71073","MoKα","","0.0702","0.0474","","","0.1067","0.1212","","","","","","1.026","","","","has coordinates,has disorder","269857","2021-10-07","22:55:59",""
"7708532","19.9283","0.0007","18.5408","0.0007","30.9067","0.0012","90","","90","","90","","11419.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H16 N20 O12 Re4 -","- C36 H16 N20 O12 Re4 -","- C288 H128 N160 O96 Re32 -","8","1","","Karges, Johannes; Seo, Hyeonglim; Cohen, Seth M.","Synthesis of Tetranuclear Rhenium(I) Tricarbonyl Metallacycles","Dalton Transactions","2021","","","","","10.1039/D1DT02435C","","x-ray","0.71073","MoKα","K-L~3~","0.113","0.0825","","","0.1768","0.1904","","","","","","1.109","","","","has coordinates","269858","2021-10-07","22:56:29",""
"7708533","15.707","0.007","11.11","0.004","12.636","0.005","90","","90","","90","","2205","1.5","104","2","104","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H22 F8 Fe N4 O2 P -","- C20 H22 F8 Fe N4 O2 P -","- C80 H88 F32 Fe4 N16 O8 P4 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0403","0.0381","","","0.0986","0.1003","","","","","","1.031","","","","has coordinates","269885","2021-10-10","22:56:41",""
"7708534","15.98","0.003","11.5516","0.0019","12.899","0.002","90","","90","","90","","2381.1","0.7","297","2","297","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H22 F8 Fe N4 O2 P -","- C20 H22 F8 Fe N4 O2 P -","- C80 H88 F32 Fe4 N16 O8 P4 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.053","0.043","","","0.1129","0.1198","","","","","","1.021","","","","has coordinates","269885","2021-10-10","22:56:42",""
"7708535","18.505","0.01","13.077","0.007","18.918","0.01","90","","112.541","0.012","90","","4228","4","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F4 Fe2 I2 N8 O4 -","- C40 H44 F4 Fe2 I2 N8 O4 -","- C160 H176 F16 Fe8 I8 N32 O16 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0574","0.0414","","","0.1031","0.1137","","","","","","1.025","","","","has coordinates","269885","2021-10-10","22:56:43",""
"7708536","19.049","0.007","12.722","0.005","19.512","0.007","90","","112.406","0.008","90","","4372","3","104","2","104","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl F2 Fe N4 O6 -","- C20 H22 Cl F2 Fe N4 O6 -","- C160 H176 Cl8 F16 Fe8 N32 O48 -","8","2","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0739","0.0545","","","0.1263","0.1367","","","","","","1.095","","","","has coordinates","269885","2021-10-10","22:56:43",""
"7708537","19.281","0.01","13.028","0.006","19.511","0.01","90","","112.019","0.013","90","","4544","4","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 Cl F2 Fe N4 O6 -","- C20 H22 Cl F2 Fe N4 O6 -","- C160 H176 Cl8 F16 Fe8 N32 O48 -","8","2","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0977","0.0613","","","0.1597","0.1841","","","","","","1.024","","","","has coordinates","269885","2021-10-10","22:56:43",""
"7708538","18.657","0.005","13.265","0.004","18.654","0.005","90","","111.78","","90","","4287","2","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F4 Fe2 I2 N8 O4 -","- C40 H44 F4 Fe2 I2 N8 O4 -","- C160 H176 F16 Fe8 I8 N32 O16 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.1254","0.0655","","","0.1372","0.1613","","","","","","1.03","","","","has coordinates","269885","2021-10-10","22:56:43",""
"7708539","18.222","0.009","13.004","0.006","18.856","0.009","90","","110.497","0.012","90","","4185","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 F4 Fe2 N10 O10 -","- C40 H44 F4 Fe2 N10 O10 -","- C160 H176 F16 Fe8 N40 O40 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0815","0.0629","","","0.1564","0.1712","","","","","","1.052","","","","has coordinates","269885","2021-10-10","22:56:43",""
"7708540","18.433","0.004","13.214","0.003","18.843","0.004","90","","110.931","0.005","90","","4286.8","1.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 F4 Fe2 N10 O10 -","- C40 H42 F4 Fe2 N10 O10 -","- C160 H168 F16 Fe8 N40 O40 -","4","1","","Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi","Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02394b","","","0.71073","MoKα","","0.0932","0.062","","","0.1455","0.1665","","","","","","1.029","","","","has coordinates","269885","2021-10-10","22:56:43",""
"7708541","7.5595","0.0001","29.0139","0.0004","11.9767","0.0002","90","","101.368","0.001","90","","2575.32","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl N5 O Pt -","- C27 H30 Cl N5 O Pt -","- C108 H120 Cl4 N20 O4 Pt4 -","4","1","","Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.","Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores","Dalton Transactions","2021","","","","","10.1039/D1DT02823E","","x-ray","1.54184","CuKα","","0.0317","0.0281","","","0.0697","0.0717","","","","","","1.098","","","","has coordinates","269892","2021-10-11","22:59:10",""
"7708542","19.0902","0.0003","12.0056","0.0002","22.7916","0.0003","90","","101.909","0.001","90","","5111.16","0.14","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H28.71 Cl N5 O1.36 Pt -","- C26 H28.712 Cl N5 O1.355 Pt -","- C208 H229.696 Cl8 N40 O10.84 Pt8 -","8","1","","Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.","Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores","Dalton Transactions","2021","","","","","10.1039/D1DT02823E","","x-ray","1.54184","CuKα","","0.04","0.0364","","","0.1015","0.1048","","","","","","1.154","","","","has coordinates,has disorder","269892","2021-10-11","22:59:11",""
"7708543","14.117","0.0001","14.117","0.0001","27.4755","0.0003","90","","90","","90","","5475.58","0.08","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C30 H30 Cl N5 O Pt -","- C30 H30 Cl N5 O Pt -","- C240 H240 Cl8 N40 O8 Pt8 -","8","1","","Dobrynin, Mikhail V.; Kasatkina, Svetlana; Baykov, Sergey; Savko, Polina; Antonov, Nikita; Mikherdov, Alexander S.; Boyarskiy, Vadim; Islamova, Regina M.","Deprotonated diaminocarbene platinum complexes for thermoresponsive luminescent silicone materials: both catalysts and luminophores","Dalton Transactions","2021","","","","","10.1039/D1DT02823E","","x-ray","1.54184","CuKα","","0.0372","0.0354","","","0.0822","0.0832","","","","","","1.045","","","","has coordinates","269892","2021-10-11","22:59:11",""
"7708544","10.8275","0.0013","12.8483","0.0016","13.1018","0.0018","89.948","0.004","76.46","0.004","73.825","0.004","1697.8","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H20 Cl2 N8 O6 Re2 -","- C32 H20 Cl2 N8 O6 Re2 -","- C64 H40 Cl4 N16 O12 Re4 -","2","1","","Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne","Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02161c","","","0.71073","MoKα","","0.0888","0.0435","","","0.0744","0.0901","","","","","","1.027","","","","has coordinates","269903","2021-10-12","22:55:22",""
"7708545","10.9645","0.0007","18.8237","0.0011","25.0238","0.0015","90","","90","","90","","5164.7","0.5","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H19 Cl4 N4 O3 Re -","- C21 H19 Cl4 N4 O3 Re -","- C168 H152 Cl32 N32 O24 Re8 -","8","1","","Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne","Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02161c","","","0.71073","MoKα","","0.0456","0.0284","","","0.0513","0.0561","","","","","","1.09","","","","has coordinates","269903","2021-10-12","22:55:23",""
"7708546","16.9598","0.0009","10.7879","0.0005","17.1754","0.0008","90","","112.354","0.0018","90","","2906.3","0.2","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 Cl4 N4 O3 Re -","- C27 H25 Cl4 N4 O3 Re -","- C108 H100 Cl16 N16 O12 Re4 -","4","1","","Poirot, Alexandre; Vanucci-Bacqué, Corinne; Delavaux-Nicot, Béatrice; Leygue, Nadine; Saffon-Merceron, Nathalie; Alary, Fabienne; Bedos-Belval, Florence; Benoist, Eric; Fery-Forgues, Suzanne","Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified structure and steric hindrance to modulate the photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02161c","","","0.71073","MoKα","","0.0268","0.0239","","","0.0679","0.07","","","","","","1.077","","","","has coordinates,has disorder","269903","2021-10-12","22:55:23",""
"7708547","23.9212","0.0009","10.3352","0.0003","34.8506","0.0015","90","","90.661","0.004","90","","8615.6","0.6","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C43 H36 Cd2 N6 O10 S2 -","- C43 H36 Cd2 N6 O10 S2 -","- C344 H288 Cd16 N48 O80 S16 -","8","1","","Su, Yu-Qiao; Fu, Lianshe; Cui, Guang Hua","Two chemically robust Cd(II)-frameworks for efficient sensing of levofloxacin, benzaldehyde, and Fe3+ ions","Dalton Transactions","2021","","","","","10.1039/D1DT03205D","","x-ray","0.71073","MoKα","","0.0684","0.0439","","","0.0981","0.1123","","","","","","1.159","","","","has coordinates","269904","2021-10-12","22:56:10",""
"7708548","10.195","0.0012","21.3148","0.0015","10.7401","0.0009","90","","117.238","0.013","90","","2075.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cd N3 O4 S -","- C22 H18 Cd N3 O4 S -","- C88 H72 Cd4 N12 O16 S4 -","4","1","","Su, Yu-Qiao; Fu, Lianshe; Cui, Guang Hua","Two chemically robust Cd(II)-frameworks for efficient sensing of levofloxacin, benzaldehyde, and Fe3+ ions","Dalton Transactions","2021","","","","","10.1039/D1DT03205D","","x-ray","0.71073","MoKα","","0.0429","0.0319","","","0.0735","0.0785","","","","","","1.072","","","","has coordinates","269904","2021-10-12","22:56:10",""
"7708549","12.432","0.0005","7.5736","0.0002","21.0055","0.0008","90","","90","","90","","1977.77","0.12","298","2","298","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C16 H22 N2 Se2 Sn -","- C16 H22 N2 Se2 Sn -","- C64 H88 N8 Se8 Sn4 -","4","0.5","","Karmakar, Gourab; Halankar, Kruti; Tyagi, Adish; Mandal, Balaji P.; Wadawale, Amey; Gotluru, Kedarnath; Srivastava, A. P.; Singh, Vishal","Dimethyltin(IV)-4,6-dimethyl-2-pyridylselenolate: An Efficient Single Source Precursor for the Preparation of SnSe Nanosheets as Anode Material for Lithium Ion Batteries","Dalton Transactions","2021","","","","","10.1039/D1DT01312B","","x-ray","0.71073","MoKα","","0.061","0.0384","","","0.0848","0.0921","","","","","","1.057","","","","has coordinates","269905","2021-10-12","22:56:36",""
"7708550","12.231","0.003","8.1876","0.0011","21.11","0.004","90","","96.09","0.02","90","","2102.1","0.7","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C33 H30.8 Co3 N16 O4.4 S -","- C33 H30.8 Co3 N16 O4.4 S -","- C66 H61.6 Co6 N32 O8.8 S2 -","2","1","","Jiménez, Juan-Ramón; Xu, Buqin; El Said, Hasnaa; Li, Yanling; von Bardeleben, Jurgen; Chamoreau, Lise-Marie; Lescouezec, Rodrigue; Shova, Sergiu; Visinescu, Diana; Alexandru, Maria-Gabriela; Cano, Joan; Julve, Miguel","Field-induced Single Ion Magnet behaviour in discrete and one-dimensional complexes containing the bis(1-methylimidazol-2-yl)ketone]-containing cobalt(II) building units","Dalton Transactions","2021","","","","","10.1039/D1DT02441H","","x-ray","0.71073","MoKα","","0.1665","0.0869","","","0.1326","0.1638","","","","","","1.012","","","","has coordinates,has disorder","269926","2021-10-13","23:13:15",""
"7708551","7.5868","0.0003","14.4413","0.0007","22.1581","0.0008","90","","99.377","0.002","90","","2395.27","0.17","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Co N10 O2 S2 -","- C20 H20 Co N10 O2 S2 -","- C80 H80 Co4 N40 O8 S8 -","4","0.5","","Jiménez, Juan-Ramón; Xu, Buqin; El Said, Hasnaa; Li, Yanling; von Bardeleben, Jurgen; Chamoreau, Lise-Marie; Lescouezec, Rodrigue; Shova, Sergiu; Visinescu, Diana; Alexandru, Maria-Gabriela; Cano, Joan; Julve, Miguel","Field-induced Single Ion Magnet behaviour in discrete and one-dimensional complexes containing the bis(1-methylimidazol-2-yl)ketone]-containing cobalt(II) building units","Dalton Transactions","2021","","","","","10.1039/D1DT02441H","","x-ray","1.54178","CuKα","","0.0288","0.0277","","","0.0756","0.0764","","","","","","1.065","","","","has coordinates","269926","2021-10-13","23:13:16",""
"7708552","8.4394","0.0006","13.0372","0.0009","23.9828","0.0016","90","","98.148","0.004","90","","2612.1","0.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Co N14 O2 -","- C22 H20 Co N14 O2 -","- C88 H80 Co4 N56 O8 -","4","0.5","","Jiménez, Juan-Ramón; Xu, Buqin; El Said, Hasnaa; Li, Yanling; von Bardeleben, Jurgen; Chamoreau, Lise-Marie; Lescouezec, Rodrigue; Shova, Sergiu; Visinescu, Diana; Alexandru, Maria-Gabriela; Cano, Joan; Julve, Miguel","Field-induced Single Ion Magnet behaviour in discrete and one-dimensional complexes containing the bis(1-methylimidazol-2-yl)ketone]-containing cobalt(II) building units","Dalton Transactions","2021","","","","","10.1039/D1DT02441H","","x-ray","1.54178","CuKα","","0.0318","0.03","","","0.0825","0.0841","","","","","","1.05","","","","has coordinates,has disorder","269926","2021-10-13","23:13:16",""
"7708553","7.7139","0.0003","14.5798","0.0005","22.4322","0.0007","90","","99.092","0.002","90","","2491.19","0.15","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Co N10 O2 Se2 -","- C20 H20 Co N10 O2 Se2 -","- C80 H80 Co4 N40 O8 Se8 -","4","0.5","","Jiménez, Juan-Ramón; Xu, Buqin; El Said, Hasnaa; Li, Yanling; von Bardeleben, Jurgen; Chamoreau, Lise-Marie; Lescouezec, Rodrigue; Shova, Sergiu; Visinescu, Diana; Alexandru, Maria-Gabriela; Cano, Joan; Julve, Miguel","Field-induced Single Ion Magnet behaviour in discrete and one-dimensional complexes containing the bis(1-methylimidazol-2-yl)ketone]-containing cobalt(II) building units","Dalton Transactions","2021","","","","","10.1039/D1DT02441H","","x-ray","1.54178","CuKα","","0.0292","0.0266","","","0.0671","0.0684","","","","","","1.047","","","","has coordinates","269926","2021-10-13","23:13:16",""
"7708554","13.899","0.0005","9.2755","0.0005","20.2093","0.0019","90","","100.88","0.005","90","","2558.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 N2 O12 Pd -","- C24 H34 N2 O12 Pd -","- C96 H136 N8 O48 Pd4 -","4","1","","Paderni, Daniele; Giorgi , Luca; Macedi, Eleonora; Formica, Mauro; Paoli, Paola; Rossi, Patrizia; Fusi, Vieri","A selective fluorescent probe for GadoliniumIII in water based on a PdII -preorganized chromone-receptor","Dalton Transactions","2021","","","","","10.1039/D1DT01753E","","","1.54184","CuKα","","0.0926","0.0606","","","0.1317","0.1498","","","","","","1.063","","","","has coordinates","269927","2021-10-13","23:14:02",""
"7708555","13.7278","0.0005","19.6616","0.0009","21.5689","0.0008","90","","90","","90","","5821.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 Ba5 Br10 F20 O27 -","- C20 Ba5 Br10 F20 O27 -","- C80 Ba20 Br40 F80 O108 -","4","1","","Dhanapala, B. Dulani; Munasinghe, Hashini N.; Dissanayake, K. Tauni; Suescun, Leopoldo; Rabuffetti, Federico A.","Expanding the synthetic toolbox to access pristine and rare-earth-doped BaFBr nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02694a","","","0.71073","MoKα","","0.0496","0.038","","","0.0752","0.0786","","","","","","1.045","","","","has coordinates,has disorder","269956","2021-10-14","23:02:38",""
"7708556","11.3151","0.0013","13.7666","0.0011","13.7491","0.0015","90","","95.702","0.009","90","","2131.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Ag Cl N2 -","- C22 H26 Ag Cl N2 -","- C88 H104 Ag4 Cl4 N8 -","4","1","","Üstün, Elvan; Şahin, Neslihan; Çelik, Cem; Tutar, Uğur; Özdemir, Namık; Gürbüz, Nevin; Özdemir, İsmail","Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02003J","","","0.71073","MoKα","","0.0712","0.0372","","","0.073","0.0816","","","","","","0.925","","","","has coordinates","269957","2021-10-14","23:03:49",""
"7708557","11.1956","0.0009","15.9222","0.0009","12.9237","0.001","90","","99.791","0.006","90","","2270.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag Cl N2 -","- C24 H30 Ag Cl N2 -","- C96 H120 Ag4 Cl4 N8 -","4","1","","Üstün, Elvan; Şahin, Neslihan; Çelik, Cem; Tutar, Uğur; Özdemir, Namık; Gürbüz, Nevin; Özdemir, İsmail","Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02003J","","","0.71073","MoKα","","0.0512","0.0335","","","0.0794","0.0847","","","","","","1.009","","","","has coordinates,has disorder","269957","2021-10-14","23:03:49",""
"7708558","10.1252","0.0006","10.6418","0.0006","11.6214","0.0007","90.879","0.005","104.275","0.005","115.012","0.004","1089.49","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 Ag Cl N2 -","- C23 H28 Ag Cl N2 -","- C46 H56 Ag2 Cl2 N4 -","2","1","","Üstün, Elvan; Şahin, Neslihan; Çelik, Cem; Tutar, Uğur; Özdemir, Namık; Gürbüz, Nevin; Özdemir, İsmail","Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02003J","","","0.71073","MoKα","","0.0319","0.0267","","","0.0697","0.0725","","","","","","1.045","","","","has coordinates","269957","2021-10-14","23:03:49",""
"7708559","8.788","0.0003","24.1051","0.0006","21.9198","0.0006","90","","91.512","0.002","90","","4641.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cl2 Co N8 O12 -","- C44 H52 Cl2 Co N8 O12 -","- C176 H208 Cl8 Co4 N32 O48 -","4","1","","Peng, Min; Wu, Xiao-Fan; Wang, Li-Xin; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Yiu, Shek-Man; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in high-coordinate Co(II) and Fe(II) compounds bearing neutral tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02575a","","","1.54178","CuKα","","0.0637","0.0449","","","0.1048","0.1149","","","","","","1.029","","","","has coordinates,has disorder","269958","2021-10-14","23:04:45",""
"7708560","15.9954","0.0009","10.5941","0.0005","16.11","0.0009","90","","92.895","0.002","90","","2726.5","0.3","213","2","213","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C42 H56 Cl2 Fe N20 O10 -","- C42 H56 Cl2 Fe N20 O10 -","- C84 H112 Cl4 Fe2 N40 O20 -","2","0.5","","Peng, Min; Wu, Xiao-Fan; Wang, Li-Xin; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Yiu, Shek-Man; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in high-coordinate Co(II) and Fe(II) compounds bearing neutral tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02575a","","","0.71073","MoKα","","0.0839","0.057","","","0.1406","0.1607","","","","","","1.023","","","","has coordinates,has disorder","269958","2021-10-14","23:04:46",""
"7708561","20.9339","0.0009","13.2633","0.0006","16.2274","0.0005","90","","95.07","0.003","90","","4488","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H52 Cl2 N8 Ni O12 -","- C44 H52 Cl2 N8 Ni O12 -","- C176 H208 Cl8 N32 Ni4 O48 -","4","1","","Peng, Min; Wu, Xiao-Fan; Wang, Li-Xin; Chen, Si-Huai; Xiang, Jing; Jin, Xin-Xin; Yiu, Shek-Man; Wang, Bing-Wu; Gao, Song; Lau, Tai-Chu","Slow magnetic relaxation in high-coordinate Co(II) and Fe(II) compounds bearing neutral tetradentate ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02575a","","","1.54178","CuKα","","0.0477","0.0461","","","0.1216","0.124","","","","","","1.03","","","","has coordinates,has disorder","269958","2021-10-14","23:04:46",""
"7708562","11.7374","0.0004","13.1866","0.0004","18.5347","0.0006","103.879","0.002","103.877","0.002","100.988","0.002","2608.31","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","POB-024 - 17OBA004","","","- C40.74 H49.49 Cl1.49 Co4 N4 O20 -","- C40.743 H49.486 Cl1.486 Co4 N4 O20 -","- C81.486 H98.972 Cl2.972 Co8 N8 O40 -","2","1","","Gutiérrez-Tarriño, Silvia; Gaona-Miguélez, José; Oña-Burgos, Pascual","Tailoring the electron density of cobalt oxide clusters to provide highly selective superoxide and peroxide species for aerobic cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02347k","","","0.71073","MoKα","","0.0725","0.0483","","","0.1093","0.1188","","","","","","1.027","","","","has coordinates,has disorder","269959","2021-10-14","23:05:52",""
"7708563","13.1722","0.0003","22.6021","0.0005","19.3273","0.0004","90","","105.554","0.001","90","","5543.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","POB-076 - 17OBA005","","","- C52.77 H54.41 Cl1.53 Co4 N4 O18.44 -","- C52.767 H54.4086 Cl1.534 Co4 N4 O18.4373 -","- C211.068 H217.634 Cl6.136 Co16 N16 O73.7492 -","4","1","","Gutiérrez-Tarriño, Silvia; Gaona-Miguélez, José; Oña-Burgos, Pascual","Tailoring the electron density of cobalt oxide clusters to provide highly selective superoxide and peroxide species for aerobic cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02347k","","","0.71073","MoKα","","0.0632","0.0416","","","0.1026","0.1115","","","","","","1.059","","","","has coordinates,has disorder","269959","2021-10-14","23:05:53",""
"7708564","17.5793","0.0004","19.7177","0.0005","21.5413","0.0005","70.4554","0.0014","80.3622","0.0014","70.778","0.0013","6630.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","POB-088b - 17OBA006","","","- C60 H56 Co4 N4 O20 -","- C60 H56 Co4 N4 O20 -","- C240 H224 Co16 N16 O80 -","4","2","","Gutiérrez-Tarriño, Silvia; Gaona-Miguélez, José; Oña-Burgos, Pascual","Tailoring the electron density of cobalt oxide clusters to provide highly selective superoxide and peroxide species for aerobic cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02347k","","","0.71073","MoKα","","0.1002","0.0508","","","0.1087","0.1307","","","","","","1.012","","","","has coordinates,has disorder","269959","2021-10-14","23:05:53",""
"7708565","8.1534","0.0003","9.6858","0.0004","15.4795","0.0008","94.664","0.004","95.181","0.004","107.477","0.004","1153.67","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 I2 N2 O4 -","- C22 H22 I2 N2 O4 -","- C44 H44 I4 N4 O8 -","2","1","","Kramer, Eric; Yu, Shilin; Ward, Jas S.; Rissanen, Kari","Dihypoiodites Stabilised by 4-ethylpyridine through O-I-N Halogen Bonds","Dalton Transactions","2021","","","","","10.1039/D1DT03324G","","x-ray","1.54184","CuKα","","0.05","0.0431","","","0.1167","0.127","","","","","","1.039","","","","has coordinates","269960","2021-10-14","23:06:50",""
"7708566","9.8812","0.0003","32.4911","0.0007","7.4264","0.0002","90","","91.42","0.002","90","","2383.52","0.11","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F4 I2 N2 O4 -","- C22 H18 F4 I2 N2 O4 -","- C88 H72 F16 I8 N8 O16 -","4","1","","Kramer, Eric; Yu, Shilin; Ward, Jas S.; Rissanen, Kari","Dihypoiodites Stabilised by 4-ethylpyridine through O-I-N Halogen Bonds","Dalton Transactions","2021","","","","","10.1039/D1DT03324G","","x-ray","1.54184","CuKα","","0.0538","0.0475","","","0.1319","0.1368","","","","","","1.204","","","","has coordinates","269960","2021-10-14","23:06:51",""
"7708567","8.0109","0.0005","9.0287","0.0006","16.548","0.002","84.321","0.008","87.332","0.008","71.188","0.006","1127.25","0.18","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 I2 N2 O4 -","- C22 H22 I2 N2 O4 -","- C44 H44 I4 N4 O8 -","2","1","","Kramer, Eric; Yu, Shilin; Ward, Jas S.; Rissanen, Kari","Dihypoiodites Stabilised by 4-ethylpyridine through O-I-N Halogen Bonds","Dalton Transactions","2021","","","","","10.1039/D1DT03324G","","x-ray","1.54184","CuKα","","0.1026","0.0818","","","0.2177","0.2436","","","","","","1.013","","","","has coordinates,has disorder","269960","2021-10-14","23:06:51",""
"7708568","13.75386","0.00013","8.76188","0.00007","15.45738","0.00015","90","","101.907","0.0009","90","","1822.69","0.03","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl2 N3 O2 Ru -","- C17 H15 Cl2 N3 O2 Ru -","- C68 H60 Cl8 N12 O8 Ru4 -","4","1","","Ibrahim, Nourhan M.; Khaled, Rabaa M.; Ragheb, Mohamed A.; Radacki, Krzysztof; Farag, Ahmad M.; Mansour, Ahmed M.","Light-activated cytotoxicity of dicarbonyl Ru(ii) complexes with a benzimidazole coligand towards breast cancer","Dalton Transactions","2021","","","","","10.1039/D1DT02296B","","x-ray","1.54184","CuKα","","0.0293","0.0287","","","0.082","0.0825","","","","","","1.074","","","","has coordinates","269961","2021-10-14","23:07:30",""
"7708569","7.86247","0.00009","11.42684","0.00013","21.9614","0.0002","90","","92.9222","0.001","90","","1970.52","0.04","100.03","0.17","100.03","0.17","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 N3 O4 Ru -","- C18 H15 Cl2 N3 O4 Ru -","- C72 H60 Cl8 N12 O16 Ru4 -","4","1","","Ibrahim, Nourhan M.; Khaled, Rabaa M.; Ragheb, Mohamed A.; Radacki, Krzysztof; Farag, Ahmad M.; Mansour, Ahmed M.","Light-activated cytotoxicity of dicarbonyl Ru(ii) complexes with a benzimidazole coligand towards breast cancer","Dalton Transactions","2021","","","","","10.1039/D1DT02296B","","x-ray","1.54184","CuKα","","0.028","0.0269","","","0.0708","0.0714","","","","","","1.119","","","","has coordinates","269961","2021-10-14","23:07:30",""
"7708570","10.4538","0.001","16.6161","0.0015","18.7518","0.0017","112.455","0.003","95.919","0.003","91.536","0.003","2986.4","0.5","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H40 Cl2 N2 O Ru S -","- C30 H40 Cl2 N2 O Ru S -","- C120 H160 Cl8 N8 O4 Ru4 S4 -","4","2","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","x-ray","0.71073","MoKα","","0.0348","0.0302","","","0.0698","0.0746","","","","","","1.057","","","","has coordinates,has disorder","269973","2021-10-15","22:59:12",""
"7708571","9.3887","0.0014","10.7387","0.0015","13.0579","0.0019","106.287","0.004","94.363","0.005","100.568","0.004","1230.9","0.3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Cl2 N2 O Ru S -","- C24 H34 Cl2 N2 O Ru S -","- C48 H68 Cl4 N4 O2 Ru2 S2 -","2","1","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","x-ray","0.71073","MoKα","","0.0596","0.0534","","","0.1219","0.1285","","","","","","1.118","","","","has coordinates","269973","2021-10-15","22:59:15",""
"7708572","9.5041","0.0011","10.2883","0.0011","15.1931","0.0017","96.577","0.004","99.785","0.004","96.172","0.004","1442.1","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","2","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","","0.71073","MoKα","","0.0939","0.077","","","0.1586","0.1719","","","","","","1.142","","","","has coordinates,has disorder","269973","2021-10-15","22:59:15",""
"7708573","34.478","0.0013","5.202","0.0002","18.861","0.0009","90","","91.9433","0.0018","90","","3380.9","0.2","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N2 O S -","- C16 H24 N2 O S -","- C128 H192 N16 O8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","","0.71073","MoKα","","0.0488","0.0349","","","0.0813","0.0899","","","","","","1.04","","","","has coordinates","269973","2021-10-15","22:59:16",""
"7708574","9.9321","0.0006","22.3757","0.0014","8.8529","0.0006","90","","111.405","0.002","90","","1831.7","0.2","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O S -","- C9 H10 N2 O S -","- C72 H80 N16 O8 S8 -","8","2","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","","0.71073","MoKα","","0.0682","0.0457","","","0.0766","0.0839","","","","","","1.095","","","","has coordinates","269973","2021-10-15","22:59:17",""
"7708575","10.3251","0.0003","14.2609","0.0004","20.2233","0.0006","72.408","0.001","75.797","0.001","85.571","0.001","2751.74","0.14","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Cl2 N2 O Ru S -","- C28 H36 Cl2 N2 O Ru S -","- C112 H144 Cl8 N8 O4 Ru4 S4 -","4","2","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","","0.71073","MoKα","","0.03","0.0244","","","0.0634","0.0656","","","","","","1.035","","","","has coordinates","269973","2021-10-15","22:59:17",""
"7708576","9.1825","0.0004","12.6851","0.0005","19.97","0.0008","90","","92.235","0.002","90","","2324.35","0.17","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl2 N2 O Ru S -","- C23 H26 Cl2 N2 O Ru S -","- C92 H104 Cl8 N8 O4 Ru4 S4 -","4","1","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","x-ray","0.71073","MoKα","","0.0565","0.0493","","","0.0836","0.0882","","","","","","1.31","","","","has coordinates","269973","2021-10-15","22:59:17",""
"7708577","17.5533","0.0013","13.3945","0.0013","24.754","0.002","90","","109.562","0.005","90","","5484.2","0.8","110","","110","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl2 N2 O Ru S -","- C26 H38 Cl2 N2 O Ru S -","- C208 H304 Cl16 N16 O8 Ru8 S8 -","8","1","","Swaminathan, Srividya; Haribabu, Jebiti; Mohamed Kasim, Mohamed Subarkhan; dasararaju, gayathri; Balakrishnan, Nithya; Bhuvanesh, Nattamai; Echeverria, Cesar; Karvembu, R.","Impact of aliphatic acyl and aromatic thioamide substituents on the anticancer activity of Ru(II)-p-cymene complexes carrying acylthiourea ligands – In vitro and in vivo studies","Dalton Transactions","2021","","","","","10.1039/D1DT02611A","","x-ray","0.71073","MoKα","","0.0362","0.0318","","","0.0761","0.079","","","","","","1.088","","","","has coordinates,has disorder","269973","2021-10-15","22:59:18",""
"7708578","8.0823","0.0001","25.8123","0.0005","20.3078","0.0003","90","","93.895","0.001","90","","4226.88","0.12","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 Cl4 N6 O4 Ru -","- C48 H34 Cl4 N6 O4 Ru -","- C192 H136 Cl16 N24 O16 Ru4 -","4","1","","Otsuka, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako","Carbazole modification of Ruthenium Bipyridine–dicarboxylate Oxygen Evolution Molecular Catalyst","Dalton Transactions","2021","","","","","10.1039/D1DT02824C","","x-ray","1.54184","CuKα","","0.0754","0.0648","","","0.1679","0.1747","","","","","","1.1","","","","has coordinates","269982","2021-10-16","22:57:17",""
"7708579","18.4197","0.0004","18.4197","0.0004","36.1009","0.0013","90","","90","","90","","12248.5","0.6","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C39 H24 Cl I Ir N3 O -","- C39 H24 Cl I Ir N3 O -","- C624 H384 Cl16 I16 Ir16 N48 O16 -","16","1","","Yang, Yan; Wang, Cheng-Ming; Pan, Feng-Hua; Qin, Qi-Pin; Xie, Qiu-Ji; Chen, Qing; Liang, Hong","Synthesis and biological evaluation of mixed-ligands cyclometalated iridium(III)-quinoline complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02416G","","x-ray","0.71073","MoKα","","0.1426","0.07","","","0.1678","0.2063","","","","","","1.037","","","","has coordinates","270037","2021-10-19","23:16:46",""
"7708580","18.1807","0.0005","18.1807","0.0005","36.8214","0.0013","90","","90","","90","","12170.9","0.6","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39 H24 Br2 Ir N3 O -","- C39 H24 Br2 Ir N3 O -","- C624 H384 Br32 Ir16 N48 O16 -","16","1","","Yang, Yan; Wang, Cheng-Ming; Pan, Feng-Hua; Qin, Qi-Pin; Xie, Qiu-Ji; Chen, Qing; Liang, Hong","Synthesis and biological evaluation of mixed-ligands cyclometalated iridium(III)-quinoline complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02416G","","x-ray","0.71073","MoKα","","0.1073","0.053","","","0.1182","0.1397","","","","","","1.041","","","","has coordinates","270037","2021-10-19","23:16:47",""
"7708581","9.852","0.0005","9.9587","0.0006","17.7451","0.001","75.918","0.001","86.751","0.001","85.387","0.001","1682","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H70 Br6 Dy2 N12 O14 P6 Pt3 -","- C30 H70 Br6 Dy2 N12 O14 P6 Pt3 -","- C30 H70 Br6 Dy2 N12 O14 P6 Pt3 -","1","0.5","","Puzan, Agnieszka; Zychowicz, Mikolaj; Wang, Junhao; Zakrzewski, Jakub J.; Reczyński, Mateusz; Ohkoshi, Shin-ichi; Chorazy, Szymon","Tunable magnetic anisotropy in luminescent cyanido-bridged {Dy2Pt3} molecules incorporating heteroligand PtIV linkers","Dalton Transactions","2021","","","","","10.1039/D1DT03071J","","","0.71073","MoKα","","0.0322","0.0245","","","0.0479","0.05","","","","","","1.019","","","","has coordinates","270038","2021-10-19","23:18:28",""
"7708582","10.0701","0.0005","22.5477","0.0011","18.1808","0.0009","90","","102.908","0.002","90","","4023.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H82 Br6 Dy2 N14 O10 P8 Pt3 -","- C40 H82 Br6 Dy2 N14 O10 P8 Pt3 -","- C80 H164 Br12 Dy4 N28 O20 P16 Pt6 -","2","0.5","","Puzan, Agnieszka; Zychowicz, Mikolaj; Wang, Junhao; Zakrzewski, Jakub J.; Reczyński, Mateusz; Ohkoshi, Shin-ichi; Chorazy, Szymon","Tunable magnetic anisotropy in luminescent cyanido-bridged {Dy2Pt3} molecules incorporating heteroligand PtIV linkers","Dalton Transactions","2021","","","","","10.1039/D1DT03071J","","","0.71073","MoKα","","0.0484","0.0322","","","0.0482","0.0511","","","","","","1.049","","","","has coordinates","270038","2021-10-19","23:18:28",""
"7708583","48","0.003","14.7404","0.0009","20.106","0.0011","90","","114.148","0.002","90","","12980.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 Br2 N6 Pt -","- C36 H72 Br2 N6 Pt -","- C432 H864 Br24 N72 Pt12 -","12","1.5","","Puzan, Agnieszka; Zychowicz, Mikolaj; Wang, Junhao; Zakrzewski, Jakub J.; Reczyński, Mateusz; Ohkoshi, Shin-ichi; Chorazy, Szymon","Tunable magnetic anisotropy in luminescent cyanido-bridged {Dy2Pt3} molecules incorporating heteroligand PtIV linkers","Dalton Transactions","2021","","","","","10.1039/D1DT03071J","","","0.71073","MoKα","","0.0552","0.0356","","","0.0622","0.0667","","","","","","1.043","","","","has coordinates,has disorder","270038","2021-10-19","23:18:28",""
"7708584","21.1237","0.0011","17.4206","0.0011","8.6306","0.0005","90","","105.284","0.002","90","","3063.6","0.3","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H60 Cl4 Hg4 N4 O18 Si4 -","- C40 H60 Cl4 Hg4 N4 O18 Si4 -","- C80 H120 Cl8 Hg8 N8 O36 Si8 -","2","0.25","","Hong, Kangsan; Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Straightforward formation of dianionic acetonylate: self-assembly of mercury(II) with pyridyl donor ligands in acetone","Dalton Transactions","2021","","","","","10.1039/D1DT03115E","","","0.71073","MoKα","","0.0977","0.0887","","","0.2399","0.2459","","","","","","1.173","","","","has coordinates,has disorder","270039","2021-10-19","23:20:44",""
"7708585","7.7679","0.0009","9.3962","0.0011","13.225","0.0016","89.233","0.001","84.705","0.001","69.453","0.001","899.83","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cl Hg N O7 -","- C14 H12 Cl Hg N O7 -","- C28 H24 Cl2 Hg2 N2 O14 -","2","1","","Hong, Kangsan; Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Straightforward formation of dianionic acetonylate: self-assembly of mercury(II) with pyridyl donor ligands in acetone","Dalton Transactions","2021","","","","","10.1039/D1DT03115E","","","0.71073","MoKα","","0.0528","0.0395","","","0.0953","0.105","","","","","","1.053","","","","has coordinates","270039","2021-10-19","23:20:45",""
"7708586","21.1453","0.0008","17.4789","0.0007","8.603","0.0003","90","","104.821","0.0012","90","","3073.9","0.2","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H60 Cl4 Hg4 N4 O18 Si4 -","- C40 H60 Cl4 Hg4 N4 O18 Si4 -","- C80 H120 Cl8 Hg8 N8 O36 Si8 -","2","0.25","","Hong, Kangsan; Lim, Sangwoo; Moon, Heehun; Kim, Dongwon; Kim, Dongwook; Jung, Ok-Sang","Straightforward formation of dianionic acetonylate: self-assembly of mercury(II) with pyridyl donor ligands in acetone","Dalton Transactions","2021","","","","","10.1039/D1DT03115E","","","0.71073","MoKα","","0.0736","0.0612","","","0.1593","0.1652","","","","","","1.212","","","","has coordinates,has disorder","270039","2021-10-19","23:20:45",""
"7708587","17.853","0.002","21.946","0.003","17.947","0.002","90","","112.106","0.0015","90","","6514.8","1.4","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H104 B2 N2 O2 Sm2 -","- C68 H104 B2 N2 O2 Sm2 -","- C272 H416 B8 N8 O8 Sm8 -","4","0.5","","Xu, Song; Essex, Laura; Nguyen, Joseph; Farias, Phillip; Ziller, Joseph W.; Harman, Hill; Evans, William J.","Cooperative Dinitrogen Capture by a Diboraanthracene/Samarocene Pair","Dalton Transactions","2021","","","","","10.1039/D1DT03220H","","","0.71073","MoKα","","0.0398","0.0268","","","0.0588","0.0645","","","","","","1.021","","","","has coordinates","270040","2021-10-19","23:21:14",""
"7708588","7.091","0.002","18.355","0.005","12.889","0.005","90","","94.13","0.014","90","","1673.2","0.9","110","","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Ge O6 -","- C36 H56 Ge O6 -","- C72 H112 Ge2 O12 -","2","0.5","","Henry, Andrew Timothy; Cosby, Taylor P. L.; Boyle, Paul D.; Baines, Kim M.","Assessing the Lewis Acidity and Catalytic Activity of Bis(catecholato)germanes","Dalton Transactions","2021","","","","","10.1039/D1DT03180E","","","0.71073","MoKα","","0.0718","0.0487","","","0.1103","0.1195","","","","","","1.045","","","","has coordinates","270041","2021-10-19","23:22:02",""
"7708589","9.864","0.005","11.942","0.006","16.473","0.007","84.984","0.01","88.202","0.008","73.534","0.013","1853.7","1.5","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Br8 Cl Ge N O4 -","- C28 H36 Br8 Cl Ge N O4 -","- C56 H72 Br16 Cl2 Ge2 N2 O8 -","2","1","","Henry, Andrew Timothy; Cosby, Taylor P. L.; Boyle, Paul D.; Baines, Kim M.","Assessing the Lewis Acidity and Catalytic Activity of Bis(catecholato)germanes","Dalton Transactions","2021","","","","","10.1039/D1DT03180E","","","0.71073","MoKα","","0.0462","0.0275","","","0.0518","0.0571","","","","","","1.033","","","","has coordinates","270041","2021-10-19","23:22:03",""
"7708590","8.012","0.003","9.945","0.004","14.528","0.006","109.138","0.011","92.133","0.009","95.396","0.013","1085.9","0.8","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H70 Ge O6 P2 -","- C40 H70 Ge O6 P2 -","- C40 H70 Ge O6 P2 -","1","0.5","","Henry, Andrew Timothy; Cosby, Taylor P. L.; Boyle, Paul D.; Baines, Kim M.","Assessing the Lewis Acidity and Catalytic Activity of Bis(catecholato)germanes","Dalton Transactions","2021","","","","","10.1039/D1DT03180E","","","0.71073","MoKα","","0.0362","0.0269","","","0.07","0.0733","","","","","","1.045","","","","has coordinates","270041","2021-10-19","23:22:03",""
"7708591","17.031","0.0008","15.1706","0.0007","14.2343","0.0007","90","","93.138","0.004","90","","3672.2","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Cl8 In2 N7 O -","- C25 H33 Cl8 In2 N7 O -","- C100 H132 Cl32 In8 N28 O4 -","4","0.5","","Jin, Jian-Ce; Zhuang, Ting-Hui; Lin, Yang-Peng; Lin, Bing-Ye; Jiang, Jiang; Du, Kezhao; Huang, Xiao-ying","Ionic Indium (III) Chloride Hybrids Incorporating 2,2’-bipyrimidine Ligand: Studies on Photoluminescence and Structural Transformation","Dalton Transactions","2021","","","","","10.1039/D1DT03264J","","","0.71073","MoKα","","0.0476","0.0299","","","0.0671","0.0791","","","","","","1.036","","","","has coordinates,has disorder","270042","2021-10-19","23:22:45",""
"7708592","8.703","0.0004","9.105","0.0005","10.843","0.0005","89.96","0.004","75.832","0.004","81.441","0.004","823.22","0.07","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cl8 In2 N6 -","- C22 H26 Cl8 In2 N6 -","- C22 H26 Cl8 In2 N6 -","1","0.5","","Jin, Jian-Ce; Zhuang, Ting-Hui; Lin, Yang-Peng; Lin, Bing-Ye; Jiang, Jiang; Du, Kezhao; Huang, Xiao-ying","Ionic Indium (III) Chloride Hybrids Incorporating 2,2’-bipyrimidine Ligand: Studies on Photoluminescence and Structural Transformation","Dalton Transactions","2021","","","","","10.1039/D1DT03264J","","","0.71073","MoKα","","0.0632","0.0356","","","0.0542","0.065","","","","","","1.008","","","","has coordinates","270042","2021-10-19","23:22:45",""
"7708593","8.5386","0.0006","10.7576","0.0008","11.5924","0.0014","64.232","0.009","73.673","0.008","83.411","0.006","920.23","0.17","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 Cl8 In2 N6 -","- C26 H34 Cl8 In2 N6 -","- C26 H34 Cl8 In2 N6 -","1","0.5","","Jin, Jian-Ce; Zhuang, Ting-Hui; Lin, Yang-Peng; Lin, Bing-Ye; Jiang, Jiang; Du, Kezhao; Huang, Xiao-ying","Ionic Indium (III) Chloride Hybrids Incorporating 2,2’-bipyrimidine Ligand: Studies on Photoluminescence and Structural Transformation","Dalton Transactions","2021","","","","","10.1039/D1DT03264J","","","0.71073","MoKα","","0.0887","0.0484","","","0.1093","0.1313","","","","","","1.057","","","","has coordinates","270042","2021-10-19","23:22:45",""
"7708594","8.5882","0.0001","13.3127","0.0002","20.292","0.0003","90","","90.672","0.001","90","","2319.87","0.06","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H53 B2 F8 Ir N6 O3 -","- C46 H53 B2 F8 Ir N6 O3 -","- C92 H106 B4 F16 Ir2 N12 O6 -","2","1","","Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura","Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores","Dalton Transactions","2021","","","","","10.1039/D1DT02928B","","","1.54184","CuKα","","0.03","0.0286","","","0.0735","0.0748","","","","","","1.043","","","","has coordinates,has disorder","270043","2021-10-19","23:23:36",""
"7708595","9.5272","0.0003","11.1664","0.0003","19.1835","0.0005","90","","97.194","0.003","90","","2024.76","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H47 Cl2 N4 O9 Re -","- C38 H47 Cl2 N4 O9 Re -","- C76 H94 Cl4 N8 O18 Re2 -","2","1","","Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura","Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores","Dalton Transactions","2021","","","","","10.1039/D1DT02928B","","","0.71073","MoKα","","0.0451","0.0381","","","0.0915","0.0959","","","","","","1.059","","","","has coordinates,has disorder","270043","2021-10-19","23:23:37",""
"7708596","9.9804","0.0003","10.6322","0.0003","12.5079","0.0004","90","","92.751","0.003","90","","1325.73","0.07","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H28.03 Cl0.89 I1.11 N4 O4.51 Re -","- C23 H28.032 Cl0.891 I1.109 N4 O4.516 Re -","- C46 H56.064 Cl1.782 I2.218 N8 O9.032 Re2 -","2","1","","Newman, Paul David; Kariuki, Benson; Lowy, Phoebe; Jerwood, Kimberley; Deeming, Laura","Remote Control: Stereoselective Coordination of Electron-Deficient 2,2’-bipyridine Ligands to Re(I) and Ir(III) Cores","Dalton Transactions","2021","","","","","10.1039/D1DT02928B","","","0.71073","MoKα","","0.0345","0.029","","","0.0496","0.0522","","","","","","1.041","","","","has coordinates","270043","2021-10-19","23:23:37",""
"7708597","7.9088","0.0007","8.9979","0.0008","9.1722","0.0008","83.382","0.007","77.031","0.007","73.001","0.007","607.41","0.1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","diazido-tetrakis(1-methylimidazole)cobalt(II)","","- C16 H24 Co N14 -","- C16 H24 Co N14 -","- C16 H24 Co N14 -","1","0.5","","Perez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; González M., Marlene; Ben Altabef, Aida; Gomila, Rosa Maria; Frontera, Antonio; Gil, Diego M.","A novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties","Dalton Transactions","2021","","","","","10.1039/D1DT03159G","","x-ray","0.71073","MoKα","","0.0573","0.0442","","","0.0964","0.1051","","","","","","1.069","","","","has coordinates","270115","2021-10-28","23:32:07",""
"7708598","6.9174","0.0005","9.0586","0.0007","9.2754","0.0008","76.786","0.007","75.45","0.007","80.212","0.006","543.76","0.08","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","diazido-tetrakis(1-methylimidazole)nickel(II)","","- C16 H24 N14 Ni -","- C16 H24 N14 Ni -","- C16 H24 N14 Ni -","1","0.5","","Perez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; González M., Marlene; Ben Altabef, Aida; Gomila, Rosa Maria; Frontera, Antonio; Gil, Diego M.","A novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties","Dalton Transactions","2021","","","","","10.1039/D1DT03159G","","x-ray","0.71073","MoKα","","0.0528","0.0415","","","0.0738","0.0829","","","","","","1.102","","","","has coordinates","270115","2021-10-28","23:32:08",""
"7708599","19.3154","0.0012","22.6544","0.0013","26.8007","0.0015","105.969","0.001","90.215","0.002","114.547","0.002","10162","1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C148 H174 F12 Ir2 N16 O8 P2 -","- C148 H174 F12 Ir2 N16 O8 P2 -","- C296 H348 F24 Ir4 N32 O16 P4 -","2","1","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.0796","0.0593","","","0.1599","0.1756","","","","","","1.029","","","","has coordinates,has disorder","270117","2021-10-28","23:34:09",""
"7708600","19.9988","0.001","16.5267","0.0008","29.1477","0.0013","90","","97.424","0.002","90","","9553","0.8","148","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C166 H188 Cl6 Ir2 N16 O8 -","- C166 H188 Cl6 Ir2 N16 O8 -","- C332 H376 Cl12 Ir4 N32 O16 -","2","0.5","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.1035","0.0701","","","0.1673","0.1838","","","","","","1.032","","","","has coordinates,has disorder","270117","2021-10-28","23:34:10",""
"7708601","24.2215","0.0006","20.0567","0.0006","20.2899","0.0007","90","","106.479","0.001","90","","9452","0.5","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H188 Cl2 Ir2 N16 O8 -","- C160 H188 Cl2 Ir2 N16 O8 -","- C320 H376 Cl4 Ir4 N32 O16 -","2","0.5","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.0955","0.0603","","","0.1596","0.1793","","","","","","1.05","","","","has coordinates,has disorder","270117","2021-10-28","23:34:10",""
"7708602","24.3502","0.001","18.8077","0.0008","20.2321","0.0007","90","","102.247","0.001","90","","9054.9","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C170.8 H223.8 Cl2 Ir2 N16 O17.1 -","- C170.8 H223.8 Cl2 Ir2 N16 O17.1 -","- C341.6 H447.6 Cl4 Ir4 N32 O34.2 -","2","0.5","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.1408","0.0625","","","0.1465","0.1799","","","","","","0.963","","","","has coordinates,has disorder","270117","2021-10-28","23:34:10",""
"7708603","13.0463","0.0007","20.2747","0.0012","20.6481","0.0011","103.234","0.002","106.527","0.002","96.082","0.002","5010.6","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C165.6 H238.6 Cl17.8 Ir2 N12 O25.7 -","- C165.6 H238.6 Cl17.8 Ir2 N12 O25.7 -","- C165.6 H238.6 Cl17.8 Ir2 N12 O25.7 -","1","0.5","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.0581","0.0485","","","0.1244","0.1293","","","","","","1.045","","","","has coordinates","270117","2021-10-28","23:34:11",""
"7708604","19.636","0.0013","13.1399","0.0006","34.199","0.002","90","","103.304","0.002","90","","8587.1","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C155 H198 Cl19 Ir2 N12 O8 -","- C155 H198 Cl19 Ir2 N12 O8 -","- C310 H396 Cl38 Ir4 N24 O16 -","2","0.5","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.1011","0.0741","","","0.1756","0.1895","","","","","","1.051","","","","has coordinates,has disorder","270117","2021-10-28","23:34:11",""
"7708605","27.5551","0.0009","21.0953","0.0007","33.6113","0.0009","90","","90","","90","","19537.7","1","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C194 H214 Cl6 Ir2 N16 O9 -","- C194 H214 Cl6 Ir2 N16 O9 -","- C776 H856 Cl24 Ir8 N64 O36 -","4","1","","Bezzubov, Stanislav; Ermolov, Kirill; Gorbunov, Alexander; Kalle, Paulina; Lentin, Ivan; Latyshev, Gennadij; Kovalev, Vladimir; Vatsouro, Ivan","Inherently dinuclear iridium(III) meso architectures accessed by cyclometalation of calix[4]arene-based bis(aryltriazoles)","Dalton Transactions","2021","","","","","10.1039/D1DT03579G","","x-ray","0.71073","MoKα","","0.0724","0.0504","","","0.1174","0.1298","","","","","","1.021","","","","has coordinates,has disorder","270117","2021-10-28","23:34:12",""
"7708606","8.4939","0.0004","14.3347","0.0007","18.6216","0.0009","101.438","0.002","98.239","0.002","106.04","0.001","2088.01","0.18","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","Zn-C","","- C42 H58 N4 P2 Zn2 -","- C42 H58 N4 P2 Zn2 -","- C84 H116 N8 P4 Zn4 -","2","1","","Zhang, Bingyi; Roesky, Herbert W.; Ma, Xiaoli; Yan, Ben; Ni, Congjian; Yu, Hailong; Yang, Zhi","An Efficient Catalytic Method for Hydrophosphination of Heterocumulenes with Diethylzinc as Precatalyst without a Solvent","Dalton Transactions","2021","","","","","10.1039/D1DT02706A","","","0.71073","MoKα","","0.034","0.0271","","","0.0669","0.0689","","","","","","1.028","","","","has coordinates","270118","2021-10-28","23:35:08",""
"7708607","11.4929","0.0005","12.7136","0.0005","13.859","0.0004","66.694","0.004","89.324","0.003","65.169","0.004","1658.66","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 N4 O2 S2 Zn -","- C40 H26 N4 O2 S2 Zn -","- C80 H52 N8 O4 S4 Zn2 -","2","1","","Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiangjun","Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by rotatable aromatic rings","Dalton Transactions","2021","","","","","10.1039/D1DT02476K","","x-ray","1.54184","CuKα","","0.0499","0.0437","","","0.1169","0.1211","","","","","","1.058","","","","has coordinates","270119","2021-10-28","23:35:56",""
"7708608","10.8786","0.0005","14.3556","0.0006","11.683","0.0011","90","","120.899","0.004","90","","1565.57","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C80 H56 N8 O4 S4 -","4","1","","Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiangjun","Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by rotatable aromatic rings","Dalton Transactions","2021","","","","","10.1039/D1DT02476K","","x-ray","1.54184","CuKα","","0.0744","0.0671","","","0.1696","0.1745","","","","","","1.091","","","","has coordinates","270119","2021-10-28","23:35:57",""
"7708609","13.1878","0.0003","15.1875","0.0003","16.8527","0.0004","90","","108.139","0.002","90","","3207.68","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N4 O2 S2 Zn -","- C40 H26 N4 O2 S2 Zn -","- C160 H104 N16 O8 S8 Zn4 -","4","1","","Zheng, Han-Wen; Yang, Dong-Dong; Liang, Qiong-Fang; Zheng, Xiangjun","Multi-stimuli-responsive Zn(II)-Schiff base complexes adjusted by rotatable aromatic rings","Dalton Transactions","2021","","","","","10.1039/D1DT02476K","","x-ray","1.54184","CuKα","","0.0423","0.0381","","","0.1037","0.1086","","","","","","1.0264","","","","has coordinates","270119","2021-10-28","23:35:57",""
"7708610","12.5417","0.0001","15.3496","0.0001","19.7734","0.0002","90","","100.749","0.001","90","","3739.79","0.06","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 B Cu N2 O2 -","- C34 H52 B Cu N2 O2 -","- C136 H208 B4 Cu4 N8 O8 -","4","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","1.54184","CuKα","","0.0332","0.0313","","","0.0878","0.0894","","","","","","1.039","","","","has coordinates","270120","2021-10-28","23:37:45",""
"7708611","10.9964","0.0002","11.2752","0.0002","19.2382","0.0003","93.552","0.001","103.108","0.002","90.514","0.001","2318.02","0.07","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H66 B Cu N4 O2 S -","- C46 H66 B Cu N4 O2 S -","- C92 H132 B2 Cu2 N8 O4 S2 -","2","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","1.54184","CuKα","","0.0331","0.0316","","","0.0842","0.0855","","","","","","1.028","","","","has coordinates","270120","2021-10-28","23:37:46",""
"7708612","11.4621","0.0005","17.309","0.0007","22.5662","0.0011","90","","90.118","0.004","90","","4477.1","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H73 B Cu N5 O2 -","- C45 H73 B Cu N5 O2 -","- C180 H292 B4 Cu4 N20 O8 -","4","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","0.71073","MoKα","","0.1344","0.0829","","","0.2219","0.2552","","","","","","1.034","","","","has coordinates,has disorder","270120","2021-10-28","23:37:46",""
"7708613","13.1301","0.0001","17.3393","0.0001","15.0754","0.0001","90","","99.784","0.001","90","","3382.25","0.04","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 B Cu N2 O3 -","- C34 H52 B Cu N2 O3 -","- C136 H208 B4 Cu4 N8 O12 -","4","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","","1.54184","CuKα","","0.0384","0.0372","","","0.0983","0.0993","","","","","","1.032","","","","has coordinates,has disorder","270120","2021-10-28","23:37:46",""
"7708614","16.4325","0.0002","21.3202","0.0004","25.9216","0.0005","90","","90","","90","","9081.5","0.3","150","0.1","150","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C46 H66 B Cu N4 O3 -","- C46 H66 B Cu N4 O3 -","- C368 H528 B8 Cu8 N32 O24 -","8","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","0.71073","MoKα","","0.0996","0.0512","","","0.1032","0.1241","","","","","","1.052","","","","has coordinates,has disorder","270120","2021-10-28","23:37:46",""
"7708615","10.444","0.0005","12.3254","0.0005","19.4836","0.0008","76.032","0.004","88.81","0.003","67.215","0.004","2236.54","0.19","150.01","0.1","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H64 B Cu N2 O2 S -","- C46 H64 B Cu N2 O2 S -","- C92 H128 B2 Cu2 N4 O4 S2 -","2","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","1.54184","CuKα","","0.0489","0.042","","","0.1046","0.1102","","","","","","1.038","","","","has coordinates,has disorder","270120","2021-10-28","23:37:46",""
"7708616","13.1041","0.0001","20.9155","0.0002","19.005","0.0002","90","","107.294","0.001","90","","4973.38","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 B Cu N4 O3 -","- C54 H68 B Cu N4 O3 -","- C216 H272 B4 Cu4 N16 O12 -","4","1","","Horsley Downie, Thomas Mardale; Charman, Rex S. C.; Hall, Jonathan W.; Mahon, Mary F.; Lowe, John P.; Liptrot, David Jonathan","A Stable Ring-Expanded NHC-Supported Copper Boryl and its Reactivity towards Heterocumulenes","Dalton Transactions","2021","","","","","10.1039/D1DT03540A","","x-ray","1.54184","CuKα","","0.0368","0.033","","","0.0859","0.0888","","","","","","1.032","","","","has coordinates","270120","2021-10-28","23:37:46",""
"7708617","12.1185","0.001","13.4888","0.0011","13.8929","0.0012","92.671","0.001","107.611","0.001","93.671","0.001","2154.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H50 N2 O30 Zn7 -","- C72 H50 N2 O30 Zn7 -","- C72 H50 N2 O30 Zn7 -","1","0.5","","Liu, Jian-Jun; Fu, Jia-Jia; Liu, Teng; He, Chixian; Cheng, Feixiang","Photochromism and photoswitchable luminescence in a Zn7 cluster-based metal-organic framework with organic guest","Dalton Transactions","2021","","","","","10.1039/D1DT03213E","","","0.71073","MoKα","","0.039","0.0304","","","0.076","0.0793","","","","","","1.015","","","","has coordinates","270121","2021-10-28","23:38:37",""
"7708618","7.6335","0.0006","10.0261","0.001","13.087","0.0011","90","","97.978","0.004","90","","991.91","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 F Fe O2 S -","- C10 H9 F Fe O2 S -","- C40 H36 F4 Fe4 O8 S4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0317","0.0265","","","0.0631","0.0654","","","","","","1.063","","","","has coordinates","270122","2021-10-28","23:40:52",""
"7708619","13.8079","0.0007","13.8079","","36.167","0.002","90","","90","","90","","6895.5","0.5","150","2","150","2","","","","","","","synthesis as described","7","I 41/a :2","-I 4ad","88","","","","- C21 H15 F2 Fe N O2 S -","- C21 H15 F2 Fe N O2 S -","- C336 H240 F32 Fe16 N16 O32 S16 -","16","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0703","0.054","","","0.109","0.1189","","","","","","1.078","","","","has coordinates,has disorder","270122","2021-10-28","23:40:52",""
"7708620","6.8825","0.0007","11.9649","0.0014","12.3895","0.0012","90","","90.433","0.004","90","","1020.23","0.19","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F2 Fe O2 S -","- C10 H8 F2 Fe O2 S -","- C40 H32 F8 Fe4 O8 S4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0374","0.0319","","","0.0846","0.0882","","","","","","1.064","","","","has coordinates,has disorder","270122","2021-10-28","23:40:53",""
"7708621","15.0556","0.0016","6.8264","0.0007","15.1425","0.0014","90","","92.999","0.004","90","","1554.1","0.3","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 F Fe I N O2 S -","- C15 H11 F Fe I N O2 S -","- C60 H44 F4 Fe4 I4 N4 O8 S4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0405","0.0337","","","0.0752","0.0787","","","","","","1.071","","","","has coordinates","270122","2021-10-28","23:40:53",""
"7708622","9.0861","0.0005","13.3795","0.0006","12.8394","0.0007","90","","110.418","0.002","90","","1462.79","0.13","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 F Fe O2 S Si -","- C13 H17 F Fe O2 S Si -","- C52 H68 F4 Fe4 O8 S4 Si4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0508","0.0372","","","0.0815","0.0887","","","","","","1.014","","","","has coordinates","270122","2021-10-28","23:40:53",""
"7708623","15.0316","0.0007","10.8408","0.0006","15.2542","0.0006","90","","112.104","0.002","90","","2303.05","0.19","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F Fe I O2 S -","- C10 H8 F Fe I O2 S -","- C80 H64 F8 Fe8 I8 O16 S8 -","8","2","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0691","0.0552","","","0.1092","0.1139","","","","","","1.175","","","","has coordinates,has disorder","270122","2021-10-28","23:40:53",""
"7708624","16.7313","0.0011","7.4199","0.0005","12.4538","0.0008","90","","96.042","0.003","90","","1537.48","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Fe O4 S -","- C17 H16 Fe O4 S -","- C68 H64 Fe4 O16 S4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0347","0.0303","","","0.0824","0.0858","","","","","","1.017","","","","has coordinates","270122","2021-10-28","23:40:53",""
"7708625","8.4866","0.0005","16.5058","0.0008","12.0171","0.0006","90","","99.517","0.003","90","","1660.16","0.15","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 F Fe I O2 S Si -","- C13 H16 F Fe I O2 S Si -","- C52 H64 F4 Fe4 I4 O8 S4 Si4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0404","0.0313","","","0.0688","0.0723","","","","","","1.08","","","","has coordinates","270122","2021-10-28","23:40:53",""
"7708626","6.9415","0.0012","9.1569","0.0018","9.4381","0.0018","81.337","0.006","74.314","0.006","84.801","0.006","570.19","0.19","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H9 F Fe O2 S -","- C12 H9 F Fe O2 S -","- C24 H18 F2 Fe2 O4 S2 -","2","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0295","0.0264","","","0.0682","0.0701","","","","","","1.034","","","","has coordinates","270122","2021-10-28","23:40:53",""
"7708627","10.5249","0.0009","11.3803","0.0006","22.8382","0.0014","90","","91.681","0.003","90","","2734.3","0.3","150","2","150","2","","","","","","","synthesis as described","7","C 1 c 1","C -2yc","9","","","","- C15 H12 F Fe N O2 S -","- C15 H12 F Fe N O2 S -","- C120 H96 F8 Fe8 N8 O16 S8 -","8","2","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0621","0.0536","","","0.1323","0.139","","","","","","1.048","","","","has coordinates,has disorder","270122","2021-10-28","23:40:53",""
"7708628","11.9437","0.0007","7.5335","0.0004","15.7854","0.0007","90","","90.465","0.003","90","","1420.29","0.13","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F2 Fe O2 S -","- C16 H12 F2 Fe O2 S -","- C64 H48 F8 Fe4 O8 S4 -","4","1","","Erb, William; Roisnel, Thierry","The chemistry of ferrocenesulfonyl fluoride revealed","Dalton Transactions","2021","","","","","10.1039/D1DT03492H","","x-ray","0.71073","MoKα","","0.0724","0.0634","","","0.1594","0.1733","","","","","","1.029","","","","has coordinates","270122","2021-10-28","23:40:53",""
"7708629","22.3377","0.0006","26.9746","0.0006","16.0949","0.0004","90","","101.168","0.002","90","","9514.3","0.4","170","1","170","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H59.6 Cl1.12 Gd1.38 N7 O20.8 -","- C34 H39.4 Cl1.125 Gd1.375 N7 O20.8 -","- C272 H315.2 Cl9 Gd11 N56 O166.4 -","8","1","","Kocsi, Daniel; Kovacs, Daniel; Wells, Jordann A. L.; Borbas, Eszter","Reduced quenching effect of pyridine ligands in highly luminescent Ln(III) complexes: the role of tertiary amide linkers","Dalton Transactions","2021","","","","","10.1039/D1DT02893F","","","0.71073","MoKα","","0.0597","0.0402","","","0.1001","0.1175","","","","","","1.137","","","","has coordinates,has disorder","270123","2021-10-28","23:42:37",""
"7708630","22.2162","0.0018","26.8066","0.0018","16.0827","0.0012","90","","101.195","0.002","90","","9395.7","1.2","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H54.3 Cl1.27 N7 O18.15 Tb1.42 -","- C34 H39.7 Cl1.275 N7 O18.15 Tb1.425 -","- C272 H317.6 Cl10.2 N56 O145.2 Tb11.4 -","8","1","","Kocsi, Daniel; Kovacs, Daniel; Wells, Jordann A. L.; Borbas, Eszter","Reduced quenching effect of pyridine ligands in highly luminescent Ln(III) complexes: the role of tertiary amide linkers","Dalton Transactions","2021","","","","","10.1039/D1DT02893F","","","0.71073","MoKα","","0.0828","0.0578","","","0.1436","0.1557","","","","","","1.138","","","","has coordinates,has disorder","270123","2021-10-28","23:42:37",""
"7708631","16.4918","0.0014","10.0684","0.0008","21.121","0.0017","90","","109.031","0.002","90","","3315.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 Cl Ir N2 O -","- C38 H39 Cl Ir N2 O -","- C152 H156 Cl4 Ir4 N8 O4 -","4","1","","Wang, Liyan; Huang, Chenyang; Hu, Fenglian; Cui, Wen; Li, Yiqing; Li, Jingwen; Zong, Jiawen; Liu, Xicheng; Yuan, Xiang-Ai; Liu, Zhe","Preparation and antitumor application of N-phenylcarbazole/triphenylamine-modified fluorescent half-sandwich iridium(iii) Schiff base complexes","Dalton Transactions","2021","","","","","10.1039/D1DT02959B","","","0.71073","MoKα","","0.0687","0.0341","","","0.0608","0.0697","","","","","","0.96","","","","has coordinates","270124","2021-10-28","23:43:10",""
"7708632","11.4833","0.0012","12.0246","0.0013","12.2349","0.0013","64.285","0.005","81.986","0.005","68.172","0.005","1412.5","0.3","106","2","106","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N P2 -","- C32 H35 N P2 -","- C64 H70 N2 P4 -","2","1","","Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas","New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)","Dalton Transactions","2021","","","","","10.1039/D1DT03234H","","","0.71073","MoKα","","0.0442","0.038","","","0.0998","0.1038","","","","","","1.045","","","","has coordinates","270125","2021-10-28","23:47:57",""
"7708633","9.704","0.0017","9.8836","0.0017","10.578","0.0019","92.787","0.006","111.417","0.006","104.512","0.006","903.2","0.3","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H39 Br N O3 P2 Re -","- C37 H39 Br N O3 P2 Re -","- C37 H39 Br N O3 P2 Re -","1","1","","Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas","New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)","Dalton Transactions","2021","","","","","10.1039/D1DT03234H","","","0.71069","MoKα","","0.024","0.0239","","","0.0515","0.0515","","","","","","1.016","","","","has coordinates,has disorder","270125","2021-10-28","23:47:57",""
"7708634","9.6184","0.0003","9.8959","0.0004","10.6919","0.0004","92.434","0.003","111.683","0.003","104.288","0.003","906.27","0.06","182.9","0.6","182.9","0.6","","","","","","","","7","P 1","P 1","1","","","","- C37 H39 Cl N O3 P2 Tc -","- C37 H39 Cl N O3 P2 Tc -","- C37 H39 Cl N O3 P2 Tc -","1","1","","Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas","New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)","Dalton Transactions","2021","","","","","10.1039/D1DT03234H","","x-ray","0.71073","MoKα","","0.0521","0.0459","","","0.0992","0.1035","","","","","","1.027","","","","has coordinates","270125","2021-10-28","23:47:58",""
"7708635","10.145","0.005","12.466","0.005","13.495","0.005","75.985","0.005","69.761","0.005","67.446","0.005","1467","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H39 N O0.2 P2 -","- C34 H39 N O0.2 P2 -","- C68 H78 N2 O0.4 P4 -","2","1","","Kama, Dumisani Vincent; Frei, Angelo; Brink, Alice; Braband, Henrik; Alberto, Roger; Roodt, Andreas","New approach for the synthesis of water soluble fac-[MI(CO)3]+ bis(diarylphosphino)alkylamine complexes (M=99Tc, Re)","Dalton Transactions","2021","","","","","10.1039/D1DT03234H","","","0.71069","MoKα","","0.0971","0.0536","","","0.115","0.1332","","","","","","1.034","","","","has coordinates","270125","2021-10-28","23:47:58",""
"7708636","6.853","0.0004","10.6283","0.0006","21.8157","0.0013","90","","90","","90","","1588.96","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O4 Ru -","- C15 H22 N2 O4 Ru -","- C60 H88 N8 O16 Ru4 -","4","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.0141","0.0141","","","0.0352","0.0352","","","","","","1.157","","","","has coordinates","270127","2021-10-28","23:52:12",""
"7708637","6.8687","0.0015","23.288","0.005","10.082","0.002","90","","91.108","0.009","90","","1612.4","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O3 Ru -","- C15 H22 Br N O3 Ru -","- C60 H88 Br4 N4 O12 Ru4 -","4","2","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.077","0.0723","","","0.1959","0.2044","","","","","","1.074","","","","has coordinates","270127","2021-10-28","23:52:12",""
"7708638","7.1174","0.0003","9.9265","0.0004","23.0044","0.001","90","","90","","90","","1625.28","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N4 O3 Ru -","- C15 H22 N4 O3 Ru -","- C60 H88 N16 O12 Ru4 -","4","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.016","0.015","","","0.0372","0.0374","","","","","","1.123","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708639","5.9679","0.0009","9.9595","0.0015","14.192","0.002","90","","90.801","0.005","90","","843.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 N2 O3 Ru S -","- C16 H22 N2 O3 Ru S -","- C32 H44 N4 O6 Ru2 S2 -","2","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.0548","0.0418","","","0.0885","0.091","","","","","","1.018","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708640","10.4798","0.0007","11.7879","0.0008","13.2428","0.001","90","","90","","90","","1635.9","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 I N O3 Ru -","- C15 H22 I N O3 Ru -","- C60 H88 I4 N4 O12 Ru4 -","4","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.048","0.048","","","0.1324","0.1324","","","","","","1.395","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708641","8.0847","0.0004","8.2571","0.0005","9.7821","0.0005","83.352","0.001","85.085","0.001","77.242","0.001","631.39","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H28 N12 Ru2 -","- C20 H28 N12 Ru2 -","- C20 H28 N12 Ru2 -","1","0.5","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.0183","0.0177","","","0.0454","0.0457","","","","","","1.162","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708642","7.55776","0.00009","23.95","0.0006","13.75372","0.00017","90","","91.5834","0.0012","90","","2488.59","0.08","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,1-bis(η5-cyclopentadienyl)-2-triethylsilyl-5-trimethylsilyl-1-zirconacyclopenta-2,3-diene","","- C23 H36 Si2 Zr -","- C23 H36 Si2 Zr -","- C92 H144 Si8 Zr4 -","4","1","","Suzuki, Noriyuki; Ban, Sayaka; Mochizuki, Ayari; Ito, Saki","Reactions of Five-Membered Zirconacycloalkynes And Zirconacycloallenes with Cp2Zr(H)Cl; Formal Hydrogenation by Metal Hydrides","Dalton Transactions","2021","","","","","10.1039/D1DT03313A","","","1.54187","CuKα","","0.0833","0.0789","","","0.2303","0.2341","","","","","","1.064","","","","has coordinates","270128","2021-10-28","23:53:17",""
"7708643","13.37714","0.00016","15.7203","0.0002","23.1966","0.0004","90","","90","","90","","4878.07","0.12","123","","123","","","","","","","","","4","P b c m","-P 2c 2b","57","","1,1-bis(η5-cyclopentadienyl)-cis-2,5-bis(trimethylsilyl)-1-zirconacyclopent-3-ene","","- C46 H78 Si4 Zr2 -","- C23 H29.5 Si2 Zr -","- C184 H236 Si16 Zr8 -","8","1","","Suzuki, Noriyuki; Ban, Sayaka; Mochizuki, Ayari; Ito, Saki","Reactions of Five-Membered Zirconacycloalkynes And Zirconacycloallenes with Cp2Zr(H)Cl; Formal Hydrogenation by Metal Hydrides","Dalton Transactions","2021","","","","","10.1039/D1DT03313A","","","1.54187","CuKα","","0.0766","0.0707","","","0.1629","0.1669","","","","","","1.046","","","","has coordinates","270128","2021-10-28","23:53:18",""
"7708644","8.0832","0.0009","11.7679","0.0014","14.3637","0.0016","86.631","0.004","81.445","0.004","74.285","0.004","1300.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 K P S2 -","- C27 H32 K P S2 -","- C54 H64 K2 P2 S4 -","2","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0531","0.037","","","0.0896","0.1006","","","","","","1.046","","","","has coordinates","270169","2021-10-29","22:58:17",""
"7708645","9.0993","0.0007","11.0707","0.0009","34.352","0.003","90","","90","","90","","3460.5","0.5","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 P2 S2 -","- C39 H42 P2 S2 -","- C156 H168 P8 S8 -","4","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0897","0.0586","","","0.1231","0.1393","","","","","","1.017","","","","has coordinates","270169","2021-10-29","22:58:17",""
"7708646","8.9206","0.0007","17.3366","0.0014","37.912","0.003","90","","92.786","0.002","90","","5856.3","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H38.5 K O P Se2 -","- C27 H32 K P Se2 -","- C216 H256 K8 P8 Se16 -","8","2","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0575","0.051","","","0.116","0.1184","","","","","","1.143","","","","has coordinates","270169","2021-10-29","22:58:18",""
"7708647","17.7686","0.0006","10.5284","0.0003","19.2875","0.0006","90","","90","","90","","3608.21","0.19","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H42 Au Cl P2 S2 -","- C39 H42 Au Cl P2 S2 -","- C156 H168 Au4 Cl4 P8 S8 -","4","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0318","0.0231","","","0.044","0.0467","","","","","","0.966","","","","has coordinates","270169","2021-10-29","22:58:18",""
"7708648","11.9543","0.0016","21.211","0.003","13.1411","0.0017","90","","95.077","0.003","90","","3319","0.8","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Au Cl O P -","- C38 H47 Au Cl O P -","- C152 H188 Au4 Cl4 O4 P4 -","4","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0321","0.024","","","0.0551","0.0586","","","","","","1.015","","","","has coordinates","270169","2021-10-29","22:58:18",""
"7708649","16.877","0.003","12.631","0.002","15.359","0.003","90","","107.831","0.004","90","","3116.9","1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 O P -","- C38 H47 O P -","- C152 H188 O4 P4 -","4","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.07","0.0475","","","0.1181","0.1343","","","","","","1.022","","","","has coordinates","270169","2021-10-29","22:58:18",""
"7708650","8.6387","0.0004","11.4933","0.0006","15.9839","0.0008","76.227","0.002","87.145","0.002","75.964","0.002","1495.29","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 N P S -","- C33 H44 N P S -","- C66 H88 N2 P2 S2 -","2","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0724","0.0459","","","0.1091","0.1244","","","","","","1.038","","","","has coordinates","270169","2021-10-29","22:58:18",""
"7708651","11.5044","0.0019","17.383","0.003","22.708","0.004","69.113","0.003","85.019","0.003","88.293","0.003","4226.7","1.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H84 Cl10 I4 N14 -","- C65 H84 Cl10 I4 N14 -","- C130 H168 Cl20 I8 N28 -","2","1","","Watt, Fabian A.; Sieland, Benedikt; Dickmann, Nicole; Schoch, Roland; Herbst-Irmer, Regine; Ott, Holger; Paradies, Jan; Kuckling, Dirk; Hohloch, Stephan","Coupling of CO2 and Epoxides Catalysed by Novel N-Fused Mesoionic Carbene Complexes of Nickel(II)","Dalton Transactions","2021","","","","","10.1039/D1DT03311E","","","0.71073","MoKα","","0.0954","0.0722","","","0.1987","0.2154","","","","","","1.025","","","","has coordinates,has disorder","270170","2021-10-29","22:59:32",""
"7708652","7.126","0.002","14.133","0.003","15.931","0.003","104.37","0.03","98.75","0.02","92.59","0.02","1530.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 N7 Ni O3 -","- C32 H39 N7 Ni O3 -","- C64 H78 N14 Ni2 O6 -","2","1","","Watt, Fabian A.; Sieland, Benedikt; Dickmann, Nicole; Schoch, Roland; Herbst-Irmer, Regine; Ott, Holger; Paradies, Jan; Kuckling, Dirk; Hohloch, Stephan","Coupling of CO2 and Epoxides Catalysed by Novel N-Fused Mesoionic Carbene Complexes of Nickel(II)","Dalton Transactions","2021","","","","","10.1039/D1DT03311E","","","0.71073","MoKα","","0.0597","0.0405","","","0.0938","0.1017","","","","","","1.04","","","","has coordinates","270170","2021-10-29","22:59:32",""
"7708653","7.5365","0.0004","13.8963","0.0007","16.4272","0.0009","86.456","0.002","83.953","0.002","78.005","0.002","1672.07","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H43 Cl2 N7 Ni O2 -","- C35 H43 Cl2 N7 Ni O2 -","- C70 H86 Cl4 N14 Ni2 O4 -","2","1","","Watt, Fabian A.; Sieland, Benedikt; Dickmann, Nicole; Schoch, Roland; Herbst-Irmer, Regine; Ott, Holger; Paradies, Jan; Kuckling, Dirk; Hohloch, Stephan","Coupling of CO2 and Epoxides Catalysed by Novel N-Fused Mesoionic Carbene Complexes of Nickel(II)","Dalton Transactions","2021","","","","","10.1039/D1DT03311E","","","0.71073","MoKα","","0.0297","0.0282","","","0.0713","0.0722","","","","","","1.031","","","","has coordinates","270170","2021-10-29","22:59:33",""
"7708654","11.2814","0.0009","16.5641","0.0014","23.6076","0.0019","81.379","0.003","89.68","0.004","73.274","0.003","4173.8","0.6","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C85 H77 Au4 Cl N4 O7 P4 S3 -","- C85 H77 Au4 Cl N4 O7 P4 S3 -","- C170 H154 Au8 Cl2 N8 O14 P8 S6 -","2","1","","Xu, Wen Di; Yan, Jia Jun; Feng, Meng Yao; Li, Hai-Yan; Young, David James; Ren, Zhi-Gang","A Photoluminescent Thermometer made from a Thermoresponsive Tetranuclear Gold Complex and Phosphor N630","Dalton Transactions","2021","","","","","10.1039/D1DT03189A","","","1.34138","GaKα","","0.0409","0.0324","","","0.0789","0.0825","","","","","","1.057","","","","has coordinates","270171","2021-10-29","23:00:04",""
"7708655","9.4624","0.0009","9.4943","0.0009","10.6255","0.0009","79.746","0.007","73.045","0.008","61.024","0.009","798.02","0.15","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N6 P2 -","- C34 H42 N6 P2 -","- C34 H42 N6 P2 -","1","0.5","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.0982","0.0701","","","0.1605","0.1835","","","","","","1.052","","","","has coordinates","270180","2021-10-30","22:55:12",""
"7708656","12.1164","0.0003","12.6359","0.0003","26.3943","0.0007","90","","102.446","0.003","90","","3946.04","0.18","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cl4 Cu2 N6 P2 -","- C35 H44 Cl4 Cu2 N6 P2 -","- C140 H176 Cl16 Cu8 N24 P8 -","4","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","x-ray","0.71073","MoKα","","0.0501","0.039","","","0.093","0.0966","","","","","","1.054","","","","has coordinates,has disorder","270180","2021-10-30","22:55:19",""
"7708657","10.3774","0.0007","13.1298","0.0005","27.1445","0.0013","90","","100.7","0.006","90","","3634.2","0.3","150","2","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 Br2 Cu2 N6 P2 -","- C34 H42 Br2 Cu2 N6 P2 -","- C136 H168 Br8 Cu8 N24 P8 -","4","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.1316","0.0863","","","0.1656","0.1842","","","","","","1.101","","","","has coordinates","270180","2021-10-30","22:55:19",""
"7708658","9.2017","0.0002","32.7903","0.0006","13.2599","0.0003","90","","98.888","0.002","90","","3952.82","0.15","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Au2 Cl4 N6 P2 -","- C35 H44 Au2 Cl4 N6 P2 -","- C140 H176 Au8 Cl16 N24 P8 -","4","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","x-ray","0.71073","MoKα","","0.0547","0.0358","","","0.0793","0.0889","","","","","","1.018","","","","has coordinates,has disorder","270180","2021-10-30","22:55:19",""
"7708659","13.3674","0.0004","17.7306","0.0008","20.2898","0.0006","83.651","0.003","74.88","0.003","70.2","0.003","4366.7","0.3","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C71 H90 Ag4 Br4 Cl6 N12 P4 -","- C71 H90 Ag4 Br4 Cl6 N12 P4 -","- C142 H180 Ag8 Br8 Cl12 N24 P8 -","2","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.1113","0.0778","","","0.1991","0.2249","","","","","","1.021","","","","has coordinates","270180","2021-10-30","22:55:19",""
"7708660","18.9149","0.0005","17.4523","0.0005","26.6732","0.0007","90","","90","","90","","8805.1","0.4","150","0.1","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H46 Ag2 Cl2 I2 N6 P2 -","- C36 H46 Ag2 Cl2 I2 N6 P2 -","- C288 H368 Ag16 Cl16 I16 N48 P16 -","8","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.054","0.0363","","","0.0834","0.093","","","","","","1.035","","","","has coordinates","270180","2021-10-30","22:55:20",""
"7708661","19.0847","0.0003","16.9234","0.0002","26.5829","0.0004","90","","90","","90","","8585.7","0.2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C35.33 H44.67 Cl2.86 Cu2 I1.81 N6 P2 -","- C35.334 H44.668 Cl2.856 Cu2 I1.812 N6 P2 -","- C282.672 H357.344 Cl22.848 Cu16 I14.496 N48 P16 -","8","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.0732","0.0474","","","0.1059","0.1167","","","","","","1.063","","","","has coordinates,has disorder","270180","2021-10-30","22:55:20",""
"7708662","12.6903","0.0003","13.7105","0.0003","16.3337","0.0004","67.733","0.002","85.412","0.002","75.516","0.002","2546.05","0.11","150","0.1","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H53.338 Ag2 Cl6.662 N6 O4 P2 -","- C41 H53.338 Ag2 Cl6.662 N6 O4 P2 -","- C82 H106.676 Ag4 Cl13.324 N12 O8 P4 -","2","1","","Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah","Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene","Dalton Transactions","2021","","","","","10.1039/D1DT02803K","","","0.71073","MoKα","","0.0599","0.0458","","","0.1135","0.1223","","","","","","1.0461","","","","has coordinates,has disorder","270180","2021-10-30","22:55:20",""
"7708663","36.87","0.004","8.799","0.002","22.995","0.003","90","","119.49","0.03","90","","6494","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Mn N4 O6 -","- C38 H34 Mn N4 O6 -","- C304 H272 Mn8 N32 O48 -","8","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.0453","0.0308","","","0.0747","0.0822","","","","","","1.052","","","","has coordinates,has disorder","270189","2021-11-01","23:57:30",""
"7708664","9.886","0.002","12.349","0.002","14.91","0.003","88.59","0.02","88.4","0.02","87.21","0.02","1816.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Mn N4 O6 -","- C42 H42 Mn N4 O6 -","- C84 H84 Mn2 N8 O12 -","2","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.047","0.0341","","","0.0753","0.0826","","","","","","1.033","","","","has coordinates","270189","2021-11-01","23:57:31",""
"7708665","36.725","0.003","8.803","0.002","23.004","0.002","90","","119.97","0.02","90","","6443","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Fe N4 O6 -","- C38 H34 Fe N4 O6 -","- C304 H272 Fe8 N32 O48 -","8","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.0422","0.0311","","","0.0655","0.0703","","","","","","1.049","","","","has coordinates,has disorder","270189","2021-11-01","23:57:32",""
"7708666","11.174","0.002","14.946","0.003","16.818","0.003","90","","93.62","0.02","90","","2803.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Co N4 O4 -","- C34 H26 Co N4 O4 -","- C136 H104 Co4 N16 O16 -","4","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.0614","0.0395","","","0.0824","0.0943","","","","","","1.094","","","","has coordinates","270189","2021-11-01","23:57:32",""
"7708667","9.93","0.002","12.25","0.002","14.847","0.003","88.59","0.02","89.09","0.02","87.26","0.02","1803.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Fe N4 O6 -","- C42 H42 Fe N4 O6 -","- C84 H84 Fe2 N8 O12 -","2","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.044","0.0353","","","0.0857","0.0929","","","","","","1.062","","","","has coordinates","270189","2021-11-01","23:57:33",""
"7708668","11.207","0.002","14.891","0.003","16.859","0.003","90","","93.74","0.02","90","","2807.5","0.9","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 N4 Ni O4 -","- C34 H26 N4 Ni O4 -","- C136 H104 N16 Ni4 O16 -","4","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.0517","0.0394","","","0.0882","0.0957","","","","","","1.103","","","","has coordinates","270189","2021-11-01","23:57:33",""
"7708669","20.023","0.003","7.758","0.002","31.98","0.004","90","","102.3","0.02","90","","4853.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 Co N4 O4 -","- C30 H18 Co N4 O4 -","- C240 H144 Co8 N32 O32 -","8","2","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.072","0.0615","","","0.1527","0.1584","","","","","","1.104","","","","has coordinates","270189","2021-11-01","23:57:33",""
"7708670","11.299","0.002","14.937","0.002","16.803","0.003","90","","93.65","0.02","90","","2830.1","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Fe N4 O4 -","- C34 H26 Fe N4 O4 -","- C136 H104 Fe4 N16 O16 -","4","1","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.0306","0.0271","","","0.0691","0.0719","","","","","","1.042","","","","has coordinates","270189","2021-11-01","23:57:34",""
"7708671","19.78","0.003","7.76","0.002","32.304","0.004","90","","102.24","0.003","90","","4845.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 N4 Ni O4 -","- C30 H18 N4 Ni O4 -","- C240 H144 N32 Ni8 O32 -","8","2","","Legendre, Christina M.; Lüert, Daniel; Herbst-Irmer, Regine; Stalke, Dietmar","Benchmarking magnetic and spectroscopic properties on highly stable 3d metal complexes with tuneable bis(benzoxazol-2-yl)methanide ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03230E","","","0.71073","MoKα","","0.1072","0.0881","","","0.2151","0.2243","","","","","","1.247","","","","has coordinates","270189","2021-11-01","23:57:34",""
"7708672","9.8116","0.0009","12.684","0.0012","13.3634","0.0013","94.724","0.003","95.303","0.003","98.275","0.003","1631","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd N4 O10 -","- C34 H30 Cd N4 O10 -","- C68 H60 Cd2 N8 O20 -","2","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","","0.71073","MoKα","","0.0925","0.0487","","","0.0715","0.0821","","","","","","1.016","","","","has coordinates","270219","2021-11-03","00:00:08",""
"7708673","9.9876","0.0003","10.4113","0.0003","36.5579","0.0006","96.856","0.002","91.687","0.002","116.43","0.002","3365.15","0.16","172.99","0.1","172.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H102 Fe2 N4 P6 Si2 -","- C66 H102 Fe2 N4 P6 Si2 -","- C132 H204 Fe4 N8 P12 Si4 -","2","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54184","CuKα","","0.0552","0.041","","","0.0897","0.1003","","","","","","1.073","","","","has coordinates","270219","2021-11-03","00:00:08",""
"7708674","13.3431","0.0002","16.8555","0.0003","14.1692","0.0003","90","","106.256","0.0019","90","","3059.31","0.1","173","0.1","173","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H51 Fe P3 Si -","- C28 H51 Fe P3 Si -","- C112 H204 Fe4 P12 Si4 -","4","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54184","CuKα","","0.0537","0.0375","","","0.0811","0.091","","","","","","1.08","","","","has coordinates","270219","2021-11-03","00:00:09",""
"7708675","9.1606","0.0002","16.6565","0.0003","21.0567","0.0003","90","","101.548","0.002","90","","3147.87","0.1","172.99","0.1","172.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Fe P3 Si -","- C30 H49 Fe P3 Si -","- C120 H196 Fe4 P12 Si4 -","4","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54184","CuKα","","0.0514","0.0381","","","0.077","0.0886","","","","","","1.067","","","","has coordinates","270219","2021-11-03","00:00:09",""
"7708676","11.0515","0.0004","17.3189","0.0006","19.6938","0.0006","69.372","0.003","87.284","0.003","74.966","0.003","3402.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 Fe2 P6 Si2 -","- C66 H106 Fe2 P6 Si2 -","- C132 H212 Fe4 P12 Si4 -","2","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54184","CuKα","","0.0675","0.05","","","0.1106","0.1273","","","","","","1.052","","","","has coordinates","270219","2021-11-03","00:00:09",""
"7708677","13.4753","0.0004","17.1665","0.0004","13.9116","0.0004","90","","105.988","0.002","90","","3093.61","0.15","153.15","","153.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H49 Fe N2 P3 Si -","- C28 H49 Fe N2 P3 Si -","- C112 H196 Fe4 N8 P12 Si4 -","4","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54186","CuKα","","0.0504","0.0453","","","0.1161","0.1195","","","","","","1.04","","","","has coordinates","270219","2021-11-03","00:00:10",""
"7708678","9.1689","0.0002","16.6564","0.0003","21.0278","0.0005","90","","101.511","0.002","90","","3146.79","0.12","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Fe P3 Si -","- C30 H47 Fe P3 Si -","- C120 H188 Fe4 P12 Si4 -","4","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.34143","GaKα","","0.029","0.027","","","0.0741","0.0754","","","","","","1.026","","","","has coordinates","270219","2021-11-03","00:00:10",""
"7708679","16.2215","0.0006","16.2215","0.0006","24.4132","0.0011","90","","90","","90","","6424","0.4","173","0.5","173","0.5","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H47 Fe N2 P3 Si -","- C30 H47 Fe N2 P3 Si -","- C240 H376 Fe8 N16 P24 Si8 -","8","1","","Chang, Guoliang; Zhang, Peng; Yang, Wenjing; Dong, Yanhong; Xie, Shangqing; Sun, Hongjian; Li, Xiaoyan; Fuhr, Olaf; Fenske, Dieter","Synthesis of Silyl Iron Dinitrogen Complexes for Activation of Dihydrogen and Catalytic Silylation of Dinitrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02832D","","x-ray","1.54184","CuKα","","0.0775","0.067","","","0.1705","0.1829","","","","","","1.087","","","","has coordinates,has disorder","270219","2021-11-03","00:00:10",""
"7708680","28.7566","0.0008","14.3706","0.0004","30.3845","0.001","90","","90","","90","","12556.4","0.6","150","","150","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C77.1 H68.2 B Cu N2 O1.7 P2 -","- C77.1 H68.2 B Cu N2 O1.7 P2 -","- C616.8 H545.6 B8 Cu8 N16 O13.6 P16 -","8","2","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0764","0.0592","","","0.1389","0.1509","","","","","","1.009","","","","has coordinates","270220","2021-11-03","00:03:27",""
"7708681","11.0536","0.0007","14.3637","0.0009","18.0991","0.0012","67.326","0.003","77.613","0.003","85.13","0.003","2589.8","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C56.4 H54.8 B Cu F4 N2 O1.8 P2 -","- C54 H50 B Cu F4 N2 O P2 -","- C108 H100 B2 Cu2 F8 N4 O2 P4 -","2","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0613","0.0583","","","0.1805","0.1842","","","","","","1.047","","","","has coordinates","270220","2021-11-03","00:03:32",""
"7708682","9.7279","0.0009","16.4029","0.0015","29.365","0.003","90","","96.379","0.002","90","","4656.6","0.8","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48.7 H41.7 Cl Cu F6 N2 O1.3 P3 -","- C48.7 H42 Cl Cu F6 N2 O1.3 P3 -","- C194.8 H168 Cl4 Cu4 F24 N8 O5.2 P12 -","4","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0539","0.0531","","","0.1414","0.142","","","","","","1.148","","","","has coordinates,has disorder","270220","2021-11-03","00:03:41",""
"7708683","10.832","0.0005","14.9163","0.0006","18.2441","0.0008","109.737","0.0015","93.2992","0.0017","110.685","0.0016","2542.8","0.2","150","","150","","","","","","","","","9","P -1","-P 1","2","","","","- C55 H54 B Cl2 Cu F4 N2 O2 P2 -","- C50 H42 B Cu F4 N2 O P2 -","- C100 H84 B2 Cu2 F8 N4 O2 P4 -","2","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0645","0.061","","","0.1758","0.1805","","","","","","1.042","","","","has coordinates,has disorder","270220","2021-11-03","00:03:45",""
"7708684","13.4775","0.001","13.743","0.0011","20.8898","0.0016","89.276","0.003","76.079","0.003","85.59","0.003","3744.4","0.5","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H52 B Cu F24 N2 O P2 -","- C80 H52 B Cu F23.9997 N2 O P2 -","- C160 H104 B2 Cu2 F47.9994 N4 O2 P4 -","2","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0689","0.0633","","","0.1633","0.1692","","","","","","1.051","","","","has coordinates,has disorder","270220","2021-11-03","00:03:55",""
"7708685","10.7126","0.0002","18.8554","0.0004","19.4247","0.0004","79.464","0.001","89.642","0.002","74.759","0.001","3718.16","0.13","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C83 H56 B Cu F24 N2 O P2 -","- C83 H56 B Cu F24 N2 O P2 -","- C166 H112 B2 Cu2 F48 N4 O2 P4 -","2","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.34143","GaKα","","0.0693","0.0644","","","0.1716","0.176","","","","","","1.039","","","","has coordinates,has disorder","270220","2021-11-03","00:04:04",""
"7708686","19.764","0.0003","19.7573","0.0003","22.6092","0.0004","90","","90","","90","","8828.5","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C408 H352 Cu8 F48 N16 O8 P24 -","8","2","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.34143","GaKα","","0.1002","0.067","","","0.1495","0.1668","","","","","","1.022","","","","has coordinates","270220","2021-11-03","00:04:14",""
"7708687","14.2327","0.0004","30.8018","0.0009","18.4314","0.0005","90","","94.048","0.002","90","","8060","0.4","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C85 H62 B Cu F24 N2 O P2 -","- C85 H62 B Cu F24 N2 O P2 -","- C340 H248 B4 Cu4 F96 N8 O4 P8 -","4","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0953","0.0865","","","0.2089","0.2156","","","","","","1.057","","","","has coordinates,has disorder","270220","2021-11-03","00:04:24",""
"7708688","11.0667","0.0008","15.0405","0.0011","18.1887","0.0014","109.125","0.002","96.617","0.002","109.348","0.002","2612.4","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H53 Cl Cu F6 N2 O2 P3 -","- C54.5 H53 Cl Cu F6 N2 O2 P3 -","- C109 H106 Cl2 Cu2 F12 N4 O4 P6 -","2","1","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.54178","CuKα","","0.0573","0.0569","","","0.1806","0.1813","","","","","","1.078","","","","has coordinates","270220","2021-11-03","00:04:31",""
"7708689","30.976","0.007","30.976","0.007","24.946","0.005","90","","90","","90","","23936","9","296","2","296.15","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C83 H81 N2 O44 Zr6 -","- C83 H57 N2 O32 Zr6 -","- C664 H456 N16 O256 Zr48 -","8","0.5","","Wang, Xiangxiang; Zhang, Hao; Qi, Chao; Zhou, Fan; Ni, Linhan; Chen, Saisai; Qi, Junwen; Wang, Chaohai; Zheng, Tao; Li, Jiansheng","Hydrangea-like architectures composed of Zr-based metal–organic framework nanosheets with enhanced iodine capture","Dalton Transactions","2021","","","","","10.1039/D1DT02748D","","","0.71073","MoKα","","0.0388","0.0318","","","0.0721","0.0749","","","","","","1.065","","","","has coordinates","270275","2021-11-03","23:57:56",""
"7708690","7.1701","0.0009","18.986","0.002","7.3547","0.0008","90","","90","","90","","1001.2","0.2","293","2","293","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C3 H12 Cl4 Mn N2 -","- C3 H12 Cl4 Mn N2 -","- C12 H48 Cl16 Mn4 N8 -","4","0.25","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.54184","CuKα","","0.0666","0.0654","","","0.1586","0.1596","","","","","","1.113","","","","has coordinates,has disorder","270276","2021-11-03","23:58:52",""
"7708691","8.9461","0.0003","9.6604","0.0003","11.2084","0.0003","90","","105.229","0.003","90","","934.65","0.05","200","0.1","200","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C8 H18 Cl6 Mn N10 -","- C8 H18 Cl6 Mn N10 -","- C16 H36 Cl12 Mn2 N20 -","2","0.25","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.54184","CuKα","","0.0384","0.0375","","","0.1024","0.1031","","","","","","1.029","","","","has coordinates","270276","2021-11-03","23:58:52",""
"7708692","5.4046","0.0001","15.3969","0.0004","10.8565","0.0003","90","","93.166","0.002","90","","902.03","0.04","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Cl6 Mn N12 -","- C6 H16 Cl6 Mn N12 -","- C12 H32 Cl12 Mn2 N24 -","2","0.5","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.54184","CuKα","","0.0611","0.0576","","","0.1676","0.1694","","","","","","1.137","","","","has coordinates","270276","2021-11-03","23:58:52",""
"7708693","7.5206","0.0003","8.4873","0.0003","10.5291","0.0003","101.991","0.003","99.889","0.003","112.943","0.003","581.08","0.04","296.6","0.6","296.6","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Cl6 Mn N4 -","- C16 H28 Cl6 Mn N4 -","- C16 H28 Cl6 Mn N4 -","1","0.5","","Zhang, Yue; Chen, Dian; Jin, Kai-Hang; Zang, Shuang-Quan; Wang, Qing-Lun","Room-temperature phosphorescence of manganese-based metal halides","Dalton Transactions","2021","","","","","10.1039/D1DT03206B","","x-ray","1.5478","CuKα","","0.0398","0.0376","","","0.0973","0.0981","","","","","","1.1","","","","has coordinates","270276","2021-11-03","23:58:52",""
"7708694","10.0398","0.0007","13.8768","0.0009","18.2289","0.0012","97.701","0.001","91.015","0.001","98.251","0.001","2488.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 B9 Cl9 Ir N4 -","- C39 H49 B9 Cl9 Ir N4 -","- C78 H98 B18 Cl18 Ir2 N8 -","2","1","","Li, Qiuxia; Shi, Chao; Huang, Manli; Zhang, Xinghua; Sun, Fangxiang; Zheng, Ying; Yan, Hong; Yang, Chuluo; Yuan, Aihua","Three types of charged ligand-based neutral phosphorescent iridium(iii) complexes featuring nido-carborane: synthesis, structures, and solution processed organic light-emitting diode applications","Dalton Transactions","2021","","","","","10.1039/D1DT02990H","","","0.71073","MoKα","","0.0451","0.0388","","","0.1109","0.1332","","","","","","1.145","","","","has coordinates","270277","2021-11-04","00:00:03",""
"7708695","10.867","0.006","15.625","0.009","15.643","0.009","80.335","0.009","78.097","0.008","88.512","0.009","2562","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 B9 Ir N4 -","- C42 H50 B9 Ir N4 -","- C84 H100 B18 Ir2 N8 -","2","1","","Li, Qiuxia; Shi, Chao; Huang, Manli; Zhang, Xinghua; Sun, Fangxiang; Zheng, Ying; Yan, Hong; Yang, Chuluo; Yuan, Aihua","Three types of charged ligand-based neutral phosphorescent iridium(iii) complexes featuring nido-carborane: synthesis, structures, and solution processed organic light-emitting diode applications","Dalton Transactions","2021","","","","","10.1039/D1DT02990H","","","0.71073","MoKα","","0.0946","0.0621","","","0.1588","0.1952","","","","","","1.059","","","","has coordinates,has disorder","270277","2021-11-04","00:00:04",""
"7708696","14.6519","0.0007","14.2649","0.0007","23.4999","0.0012","90","","107.706","0.001","90","","4679","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 B9 Ir N4 -","- C42 H50 B9 Ir N4 -","- C168 H200 B36 Ir4 N16 -","4","1","","Li, Qiuxia; Shi, Chao; Huang, Manli; Zhang, Xinghua; Sun, Fangxiang; Zheng, Ying; Yan, Hong; Yang, Chuluo; Yuan, Aihua","Three types of charged ligand-based neutral phosphorescent iridium(iii) complexes featuring nido-carborane: synthesis, structures, and solution processed organic light-emitting diode applications","Dalton Transactions","2021","","","","","10.1039/D1DT02990H","","","0.71073","MoKα","","0.0574","0.0391","","","0.1063","0.1176","","","","","","0.806","","","","has coordinates,has disorder","270277","2021-11-04","00:00:04",""
"7708697","12.292","0.003","13.345","0.003","16.243","0.004","97.597","0.003","91.556","0.003","116.084","0.003","2361.2","1","158","2","158","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 B9 Cl4 Ir N4 -","- C43.999 H53.998 B9 Cl3.998 Ir N4 -","- C87.998 H107.996 B18 Cl7.996 Ir2 N8 -","2","1","","Li, Qiuxia; Shi, Chao; Huang, Manli; Zhang, Xinghua; Sun, Fangxiang; Zheng, Ying; Yan, Hong; Yang, Chuluo; Yuan, Aihua","Three types of charged ligand-based neutral phosphorescent iridium(iii) complexes featuring nido-carborane: synthesis, structures, and solution processed organic light-emitting diode applications","Dalton Transactions","2021","","","","","10.1039/D1DT02990H","","","0.71073","MoKα","","0.0811","0.0537","","","0.1167","0.1321","","","","","","1.061","","","","has coordinates,has disorder","270277","2021-11-04","00:00:04",""
"7708698","13.4726","0.0008","13.4726","0.0008","16.6266","0.0012","90","","90","","120","","2613.6","0.3","120.03","","120.03","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C H0.05 Mn N S Sb -","- H2.28571 Mn0.47619 N1.14286 S1.42857 Sb0.571429 -","- H48 Mn10 N24 S30 Sb12 -","21","1.75","","Sun, Peipei; Wu, Jin; Wang, Zhiqiang; Wang, Xiang; Chen, Ning; Wu, Tao","A pillar-layered chalcogenide framework assembled by [Mn5S12N12]n layers and [Sb2S5] inorganic pillars","Dalton Transactions","2021","","","","","10.1039/D1DT02838C","","","0.71073","MoKα","","0.0668","0.0479","","","0.1131","0.1255","","","","","","1.025","","","","has coordinates","270278","2021-11-04","00:00:45",""
"7708699","30.4609","0.0005","8.1403","0.0001","23.6002","0.0004","90","","109.249","0.002","90","","5524.77","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 N2 O9 Ru2 -","- C23 H31 N2 O9 Ru2 -","- C184 H248 N16 O72 Ru16 -","8","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","1.54184","CuKα","","0.0692","0.0572","","","0.1478","0.1622","","","","","","1.092","","","","has coordinates","270312","2021-11-05","00:01:33",""
"7708700","10.8202","0.0008","11.3874","0.0008","14.8695","0.001","110.833","0.006","96.149","0.006","111.215","0.007","1536.7","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N2 O9 Ru2 -","- C27 H33 N2 O9 Ru2 -","- C54 H66 N4 O18 Ru4 -","2","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","0.71073","MoKα","","0.1148","0.0685","","","0.166","0.1911","","","","","","1.036","","","","has coordinates","287934","2023-12-01","14:40:33",""
"7708701","11.5517","0.0003","16.3753","0.0004","14.4599","0.0005","90","","97.099","0.003","90","","2714.3","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C11.5 H15.5 N O4.5 Ru -","- C11.5 H15.5 N O4.5 Ru -","- C92 H124 N8 O36 Ru8 -","8","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","0.71073","MoKα","","0.0242","0.02","","","0.0492","0.0502","","","","","","1.09","","","","has coordinates","270312","2021-11-05","00:01:34",""
"7708702","10.7709","0.0004","11.4776","0.0004","13.8804","0.0007","99.002","0.004","105.311","0.004","107.152","0.003","1529.46","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 N2 O9 Ru2 -","- C25 H35 N2 O9 Ru2 -","- C50 H70 N4 O18 Ru4 -","2","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","1.54184","CuKα","","0.0747","0.0672","","","0.1075","0.1188","","","","","","1.066","","","","has coordinates","270312","2021-11-05","00:01:34",""
"7708703","16.1406","0.0008","17.1433","0.0005","21.2754","0.001","90","","97.538","0.004","90","","5836.1","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 N2 O9 Ru2 -","- C24 H33 N2 O9 Ru2 -","- C192 H264 N16 O72 Ru16 -","8","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","","0.71073","MoKα","","0.1395","0.1104","","","0.2494","0.2736","","","","","","1.116","","","","has coordinates,has disorder","270312","2021-11-05","00:01:35",""
"7708704","30.8051","0.0007","8.1833","0.0002","24.031","0.0006","90","","104.8","0.002","90","","5856.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 N2 O9 Ru2 -","- C25 H35 N2 O9 Ru2 -","- C200 H280 N16 O72 Ru16 -","8","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","1.54184","CuKα","","0.0677","0.0543","","","0.1395","0.1535","","","","","","1.05","","","","has coordinates","270312","2021-11-05","00:01:35",""
"7708705","31.0077","0.0016","8.1608","0.0003","23.5756","0.0012","90","","105.161","0.005","90","","5758.1","0.5","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H33 N2 O9 Ru2 -","- C24 H33 N2 O9 Ru2 -","- C192 H264 N16 O72 Ru16 -","8","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","0.71073","MoKα","","0.0366","0.0318","","","0.0808","0.0836","","","","","","1.055","","","","has coordinates","270312","2021-11-05","00:01:35",""
"7708706","29.6769","0.0004","29.6769","0.0004","15.2915","0.0004","90","","90","","90","","13467.5","0.4","293","2","293","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C24 H30 N16 O Ru2 -","- C24 H28 N16 O Ru2 -","- C384 H448 N256 O16 Ru32 -","16","1","","Lahiri, Goutam Kumar; Bera, Sudip Kumar","Structural and electronic forms of doubly oxido/Pz and triply oxido/(Pz)2 bridged mixed valent and isovalent diruthenium complexes (Pz=Pyrazolate)","Dalton Transactions","2021","","","","","10.1039/D1DT03076K","","x-ray","0.71073","MoKα","","0.0752","0.0637","","","0.1603","0.1745","","","","","","1.077","","","","has coordinates","270312","2021-11-05","00:01:35",""
"7708707","16.6014","0.001","8.812","0.002","11.132","0.002","90","","105.12","0.02","90","","1572.1","0.5","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 O6 P -","- C15 H19 O6 P -","- C60 H76 O24 P4 -","4","1","","Guesne, Sebastien; Connole, Laura; Kim, Stephanie; Motevalli, Majid; Robson, Lesley; Michael-Titus, Adina T; Sullivan, Alice","Umbelliferyloxymethyl Phosphonate Compounds- weakly binding zinc ionophores with neuroprotective properties","Dalton Transactions","2021","","","","","10.1039/D1DT02298A","","","0.71073","MoKα","","0.1878","0.0697","","","0.1703","0.2212","","","","","","1.051","","","","has coordinates,has disorder","270313","2021-11-05","00:02:47",""
"7708708","14.7973","0.0008","6.4554","0.0003","20.7665","0.0011","90","","106.728","0.001","90","","1899.72","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Na3 O10 P -","- C13 H20 Na3 O10 P -","- C52 H80 Na12 O40 P4 -","4","1","","Guesne, Sebastien; Connole, Laura; Kim, Stephanie; Motevalli, Majid; Robson, Lesley; Michael-Titus, Adina T; Sullivan, Alice","Umbelliferyloxymethyl Phosphonate Compounds- weakly binding zinc ionophores with neuroprotective properties","Dalton Transactions","2021","","","","","10.1039/D1DT02298A","","","0.71073","MoKα","","0.049","0.0328","","","0.0754","0.0828","","","","","","1.049","","","","has coordinates","270313","2021-11-05","00:02:48",""
"7708709","7.0955","0.0003","24.2238","0.001","8.2176","0.0004","90","","106.643","0.002","90","","1353.27","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 O6 P -","- C13 H15 O6 P -","- C52 H60 O24 P4 -","4","1","","Guesne, Sebastien; Connole, Laura; Kim, Stephanie; Motevalli, Majid; Robson, Lesley; Michael-Titus, Adina T; Sullivan, Alice","Umbelliferyloxymethyl Phosphonate Compounds- weakly binding zinc ionophores with neuroprotective properties","Dalton Transactions","2021","","","","","10.1039/D1DT02298A","","","0.71073","MoKα","","0.1092","0.0705","","","0.1576","0.1864","","","","","","0.949","","","","has coordinates,has disorder","270313","2021-11-05","00:02:48",""
"7708710","11.4333","0.0002","18.851","0.0003","11.5017","0.0002","90","","92.588","0.001","90","","2476.42","0.07","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H52 N2 O14 P2 W2 -","- C44 H52 N2 O14 P2 W2 -","- C88 H104 N4 O28 P4 W4 -","2","1","","Schmer, Alexander; Welideniya, Dhanushi; Terschüren, Tatjana; Schnakenburg, Gregor; Daniels, Jörg; Bauza, Antonio; Frontera, Antonio; Streubel, R.","A homonuclear π-system with a singlet carbene-type alpha and a nucleophilic beta phosphorus – first use in P-heterocyclic synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT03350F","","x-ray","0.71073","MoKα","","0.042","0.0354","","","0.0808","0.0837","","","","","","1.006","","","","has coordinates","270314","2021-11-05","00:03:42",""
"7708711","9.838","0.003","12.198","0.004","21.758","0.007","89.481","0.009","80.738","0.009","67.861","0.009","2383.2","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","AS-370","","- C44 H48 O14 P2 W2 -","- C44 H48 O14 P2 W2 -","- C88 H96 O28 P4 W4 -","2","1","","Schmer, Alexander; Welideniya, Dhanushi; Terschüren, Tatjana; Schnakenburg, Gregor; Daniels, Jörg; Bauza, Antonio; Frontera, Antonio; Streubel, R.","A homonuclear π-system with a singlet carbene-type alpha and a nucleophilic beta phosphorus – first use in P-heterocyclic synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT03350F","","","0.71073","MoKα","","0.1288","0.0767","","","0.1664","0.1991","","","","","","1.103","","","","has coordinates,has disorder","270314","2021-11-05","00:03:43",""
"7708712","6.328","0.0002","21.6701","0.0007","16.6363","0.0005","90","","98.4653","0.0016","90","","2256.45","0.12","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","AS-351","","- C19 H21 Cl2 O5 P W -","- C19 H21 Cl2 O5 P W -","- C76 H84 Cl8 O20 P4 W4 -","4","1","","Schmer, Alexander; Welideniya, Dhanushi; Terschüren, Tatjana; Schnakenburg, Gregor; Daniels, Jörg; Bauza, Antonio; Frontera, Antonio; Streubel, R.","A homonuclear π-system with a singlet carbene-type alpha and a nucleophilic beta phosphorus – first use in P-heterocyclic synthesis","Dalton Transactions","2021","","","","","10.1039/D1DT03350F","","","0.71073","MoKα","","0.0315","0.0227","","","0.0435","0.047","","","","","","1.103","","","","has coordinates","270314","2021-11-05","00:03:43",""
"7708713","6.336","0.003","11.981","0.006","5.927","0.003","90","","95.675","0.007","90","","447.7","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cd Cl2 O Pb -","- Cd Cl2 O Pb -","- Cd4 Cl8 O4 Pb4 -","4","1","","Bai, Chen; Cheng, Bingliang; Zhang, Kewang; Zhang, Min; Pan, Shilie; Li, Junjie","A new broad-band infrared window material CdPbOCl2 with excellent comprehensive properties","Dalton Transactions","2021","","","","","10.1039/D1DT03215A","","","0.71073","MoKα","","0.0541","0.0434","","","0.0991","0.1056","","","","","","1.002","","","","has coordinates","270315","2021-11-05","00:04:17",""
"7708714","4.119","0.003","6.285","0.004","7.831","0.006","91.64","0.06","92.5","0.06","95.76","0.05","201.4","0.2","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Fe I2 O2 -","- C2 H8 Fe I2 O2 -","- C2 H8 Fe I2 O2 -","1","0.5","","Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus","Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02523F","","","0.71073","MoKα","","0.0796","0.0496","","","0.1227","0.1337","","","","","","0.986","","","","has coordinates","270316","2021-11-05","00:05:15",""
"7708715","15.8388","0.0008","15.8388","0.0008","46.513","0.004","90","","90","","120","","10105.3","1.1","213.15","","213.15","","","","","","","","","5","P 63","P 6c","173","","","","- C52 H48.75 Fe I3 P2.25 -","- C52 H48.7497 Fe I3 P2.25 -","- C416 H389.998 Fe8 I24 P18 -","8","1.33333","","Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus","Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02523F","","","0.71073","MoKα","","0.1017","0.0369","","","0.0661","0.0758","","","","","","0.714","","","","has coordinates,has disorder","270316","2021-11-05","00:05:15",""
"7708716","10.8282","0.0011","12.0337","0.0013","28.367","0.003","90","","94.621","0.008","90","","3684.3","0.7","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Fe I2 O6 -","- C12 H24 Fe I2 O6 -","- C96 H192 Fe8 I16 O48 -","8","1","","Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus","Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02523F","","","0.71073","MoKα","","0.0621","0.0402","","","0.096","0.0994","","","","","","0.863","","","","has coordinates","270316","2021-11-05","00:05:16",""
"7708717","19.393","0.004","10.2581","0.0014","18.053","0.004","90","","112.123","0.018","90","","3327","1.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Fe I2 P2 -","- C36 H30 Fe I2 P2 -","- C144 H120 Fe4 I8 P8 -","4","1","","Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus","Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles","Dalton Transactions","2021","","","","","10.1039/D1DT02523F","","","0.71073","MoKα","","0.1269","0.0383","","","0.0558","0.0659","","","","","","0.666","","","","has coordinates","270316","2021-11-05","00:05:16",""
"7708718","6.9346","0.0016","25.153","0.013","28.98","0.02","90","","90","","90","","5055","5","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.0734","0.1125","","","0.2978","0.3413","","","","","","1.397","","","","has coordinates","270317","2021-11-05","00:06:17",""
"7708719","6.513","0.009","25.67","0.03","27.96","0.07","90","","90","","90","","4675","14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.2106","0.1431","","","0.343","0.4045","","","","","","1.067","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708720","6.555","0.008","25.56","0.03","28.14","0.07","90","","90","","90","","4715","14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H26 F6 N2 O4 S2 Zn -","- C156 H104 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.1988","0.1498","","","0.3469","0.3943","","","","","","1.096","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708721","7.007","0.006","25.17","0.015","28.46","0.19","90","","90","","90","","5019","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","","0.71073","MoKα","","0.1766","0.1234","","","0.284","0.338","","","","","","1.074","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708722","6.881","0.009","25.14","0.03","28.2","0.3","90","","90","","90","","4878","5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","","0.71073","MoKα","","0.2365","0.1387","","","0.3305","0.4268","","","","","","1.029","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708723","6.638","0.006","25.42","0.03","28.23","0.08","90","","90","","90","","4763","15","571","2","571.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.1569","0.1168","","","0.2985","0.3456","","","","","","1.176","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708724","6.89","0.003","25.19","0.02","28.95","0.03","90","","90","","90","","5025","7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.2676","0.0974","","","0.1962","0.2827","","","","","","0.915","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708725","7.033","0.003","25.167","0.015","29","0.04","90","","90","","90","","5133","8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.1849","0.1196","","","0.3102","0.3718","","","","","","1.18","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708726","6.8072","0.0017","25.266","0.016","28.63","0.03","90","","90","","90","","4924","6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.203","0.1273","","","0.3142","0.3895","","","","","","1.227","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708727","6.73","0.002","25.256","0.015","28.79","0.04","90","","90","","90","","4894","8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.2405","0.1161","","","0.277","0.369","","","","","","1.028","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708728","21.7568","0.0017","23.689","0.002","24.8453","0.0019","97.103","0.002","110.906","0.001","114.89","0.002","10268.9","1.4","190","1","190","1","","","","","","","","5","P -1","-P 1","2","","Cluster-1","","- C252 H278 N16 O104 Yb18 -","- C252 H278 N16 O104 Yb18 -","- C252 H278 N16 O104 Yb18 -","1","0.5","","Ma, Yanan; Yang, Xiaoping; Hao, Wenxin; Zhu, Ting; Wang, Chengri; Schipper, Desmond","Ratiometric fluorescent detection of dipicolinic acid as an anthrax biomarker based on a high-nuclearity Yb<sub>18</sub> nanoring.","Dalton transactions (Cambridge, England : 2003)","2021","50","38","13528","13532","10.1039/d1dt01731d","","","0.71073","MoKα","","0.2042","0.0916","","","0.1414","0.2303","","","","","","1.17","","","","has coordinates","270325","2021-11-05","05:18:52",""
"7708729","11.09","0.004","11.339","0.005","34.641","0.014","88.349","0.006","84.449","0.006","61.697","0.005","3817","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C58 H112 K2 O12 Si9 -","- C58 H112 K2 O12 Si9 -","- C116 H224 K4 O24 Si18 -","2","1","","Pöcheim, Alexander; Albers, Lena; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Silole Allylic Anions Instead of Silanides","Dalton Transactions","2021","","","","","10.1039/D1DT02363B","","","0.71073","MoKα","","0.152","0.1444","","","0.3073","0.3114","","","","","","1.274","","","","has coordinates,has disorder","270331","2021-11-05","23:55:51",""
"7708730","22.157","0.004","20.831","0.004","14.438","0.003","90","","99.511","0.003","90","","6572","2","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H93 N Si11 -","- C45 H93 N Si11 -","- C180 H372 N4 Si44 -","4","1","","Pöcheim, Alexander; Albers, Lena; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Silole Allylic Anions Instead of Silanides","Dalton Transactions","2021","","","","","10.1039/D1DT02363B","","","0.71073","MoKα","","0.076","0.0698","","","0.1432","0.1463","","","","","","1.26","","","","has coordinates","270331","2021-11-05","23:55:52",""
"7708731","16.567","0.003","16.634","0.003","17.495","0.003","101.384","0.004","98.071","0.004","119.395","0.004","3955.8","1.2","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H119 Br Mg O6 Si10 -","- C61 H121 Br Mg O6 Si10 -","- C122 H242 Br2 Mg2 O12 Si20 -","2","1","","Pöcheim, Alexander; Albers, Lena; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Silole Allylic Anions Instead of Silanides","Dalton Transactions","2021","","","","","10.1039/D1DT02363B","","","0.71073","MoKα","","0.1422","0.0836","","","0.1692","0.1899","","","","","","0.997","","","","has coordinates,has disorder","270331","2021-11-05","23:55:52",""
"7708732","16.821","0.003","17.503","0.003","18.76","0.003","110.608","0.003","93.224","0.003","101.578","0.003","5015.9","1.5","496","2","496.3","","","","","","","","","4","P -1","-P 1","2","","","","- C74 H146 K2 Si20 -","- C74 H146 K2 Si20 -","- C148 H292 K4 Si40 -","2","1","","Pöcheim, Alexander; Albers, Lena; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Silole Allylic Anions Instead of Silanides","Dalton Transactions","2021","","","","","10.1039/D1DT02363B","","","0.71073","MoKα","","0.1644","0.1429","","","0.2678","0.2805","","","","","","1.013","","","","has coordinates","270331","2021-11-05","23:55:53",""
"7708733","17.893","0.004","13.437","0.003","25.35","0.005","90","","91.669","0.004","90","","6092","2","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H92 K N O Si10 -","- C46 H92 K N O Si10 -","- C184 H368 K4 N4 O4 Si40 -","4","1","","Pöcheim, Alexander; Albers, Lena; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Silole Allylic Anions Instead of Silanides","Dalton Transactions","2021","","","","","10.1039/D1DT02363B","","","0.71073","MoKα","","0.0952","0.0846","","","0.165","0.1708","","","","","","1.017","","","","has coordinates","270331","2021-11-05","23:55:53",""
"7708734","37.205","0.01","13.523","0.003","25.072","0.006","90","","96.287","0.008","90","","12538","5","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H93 N Si11 -","- C45.04 H93.04 N Si11 -","- C360.32 H744.32 N8 Si88 -","8","1","","Pöcheim, Alexander; Albers, Lena; Müller, Thomas; Baumgartner, Judith; Marschner, Christoph","Silole Allylic Anions Instead of Silanides","Dalton Transactions","2021","","","","","10.1039/D1DT02363B","","","0.71073","MoKα","","0.1537","0.1381","","","0.2682","0.2779","","","","","","1.009","","","","has coordinates,has disorder","270332","2021-11-05","23:56:49",""
"7708735","5.6809","0.0004","11.8816","0.0009","16.2733","0.0013","90","","90","","90","","1098.42","0.14","293","2","293","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- F13 K3 Na Si Ta -","- F13 K3 Na Si Ta -","- F52 K12 Na4 Si4 Ta4 -","4","0.25","","Tang, Ru-Ling; Lian, Xin; Yao, Wen-Dong; Liu, Wen-Long; Guo, Sheng-Ping","K3Na(TaF7)(SiF6): A Mixed-anion Pentanary Fluoride with Zero Dimensional Anions Exhibiting Large Band Gap","Dalton Transactions","2021","","","","","10.1039/D1DT03320D","","","0.71073","MoKα","","0.0275","0.0219","","","0.0454","0.0467","","","","","","1.091","","","","has coordinates","270333","2021-11-05","23:57:45",""
"7708736","13.566","0.004","19.243","0.005","22.63","0.006","90","","94.479","0.005","90","","5890","3","273.15","","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","monoclinic","","- C30 H34 Cu3 N6 O45 W12 Zn0.5 -","- C30 H34 Cu3 N6 O45 W12 Zn0.5 -","- C120 H136 Cu12 N24 O180 W48 Zn2 -","4","1","","Guo, Keke; Yang, Yanli; Dong, Si-Meng; Li, Fengyan; Jiang, Xin-Ye; Xu, Lin","pH-controlled assembly of [ZnW12O40]6–based hybrids from 0D dimer to 2D network: synthesis, crystal structure, and photocatalytic performance in transformation of toluene into benzaldehyde","Dalton Transactions","2021","","","","","10.1039/D1DT02618F","","","0.71073","MoKα","","0.0549","0.0446","","","0.0815","0.0857","","","","","","1.148","","","","has coordinates","270334","2021-11-05","23:58:39",""
"7708737","12.961","0.003","14.589","0.003","19.64","0.004","71.753","0.004","75.881","0.004","70.816","0.003","3289.6","1.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","triclinic","","- C30 H46 Cu3 N6 O51 W12 Zn0.6 -","- C30 H46 Cu3 N6 O51 W12 Zn0.6 -","- C60 H92 Cu6 N12 O102 W24 Zn1.2 -","2","1","","Guo, Keke; Yang, Yanli; Dong, Si-Meng; Li, Fengyan; Jiang, Xin-Ye; Xu, Lin","pH-controlled assembly of [ZnW12O40]6–based hybrids from 0D dimer to 2D network: synthesis, crystal structure, and photocatalytic performance in transformation of toluene into benzaldehyde","Dalton Transactions","2021","","","","","10.1039/D1DT02618F","","","0.71073","MoKα","","0.0826","0.0548","","","0.1251","0.142","","","","","","1.026","","","","has coordinates","270334","2021-11-05","23:58:40",""
"7708738","21.4367","0.0016","23.8076","0.0017","26.7171","0.0017","90","","90","","90","","13635.2","1.7","296","2","296.11","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H54 Cu2 N6 O47 W12 Zn -","- C28 H54 Cu2 N6 O47 W12 Zn -","- C224 H432 Cu16 N48 O376 W96 Zn8 -","8","1","","Guo, Keke; Yang, Yanli; Dong, Si-Meng; Li, Fengyan; Jiang, Xin-Ye; Xu, Lin","pH-controlled assembly of [ZnW12O40]6–based hybrids from 0D dimer to 2D network: synthesis, crystal structure, and photocatalytic performance in transformation of toluene into benzaldehyde","Dalton Transactions","2021","","","","","10.1039/D1DT02618F","","","1.54184","CuKα","","0.0965","0.0703","","","0.1704","0.1958","","","","","","1.039","","","","has coordinates","270334","2021-11-05","23:58:40",""
"7708739","4.7356","0.0003","8.6658","0.0005","20.0098","0.0014","87.617","0.002","83.852","0.002","84.952","0.002","812.84","0.09","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N24 O19 -","- C18 H20 N24 O19 -","- C18 H20 N24 O19 -","1","0.5","","Yang, Pengju; Yang, Hongwei; Zhao, Ying; Tang, Jie; Cheng, Guangbin","Novel polynitro azoxypyrazole-based energetic materials with high performance","Dalton Transactions","2021","","","","","10.1039/D1DT03357C","","","0.71073","MoKα","","0.1016","0.0608","","","0.1324","0.1589","","","","","","1.066","","","","has coordinates","270335","2021-11-05","23:59:28",""
"7708740","9.4799","0.0018","14.679","0.003","18.484","0.004","90","","90","","90","","2572.1","0.9","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H2 N10 O9 -","- C6 H2 N10 O9 -","- C48 H16 N80 O72 -","8","1","","Yang, Pengju; Yang, Hongwei; Zhao, Ying; Tang, Jie; Cheng, Guangbin","Novel polynitro azoxypyrazole-based energetic materials with high performance","Dalton Transactions","2021","","","","","10.1039/D1DT03357C","","","0.71073","MoKα","","0.1853","0.1022","","","0.2233","0.2773","","","","","","1.031","","","","has coordinates","270335","2021-11-05","23:59:29",""
"7708741","5.0799","0.0004","21.6912","0.0018","12.8703","0.0009","90","","91.338","0.003","90","","1417.78","0.19","160","","160","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N9 O9 -","- C8 H7 N9 O9 -","- C32 H28 N36 O36 -","4","1","","Yang, Pengju; Yang, Hongwei; Zhao, Ying; Tang, Jie; Cheng, Guangbin","Novel polynitro azoxypyrazole-based energetic materials with high performance","Dalton Transactions","2021","","","","","10.1039/D1DT03357C","","","0.71073","MoKα","","0.0801","0.0499","","","0.1178","0.1352","","","","","","1.084","","","","has coordinates","270335","2021-11-05","23:59:29",""
"7708742","14.3155","0.0009","24.0664","0.0016","17.2437","0.0009","90","","90.522","0.002","90","","5940.6","0.6","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mn(NTB)Cl][Mn(NTB)l]Cl","","- C48 H41 Cl3 Mn2 N14 -","- C48 H41 Cl3 Mn2 N14 -","- C192 H164 Cl12 Mn8 N56 -","4","1","","Kumbhakar, Sadananda; Giri, Bishnubasu; Muley, Arabinda; Karumban, Kalai Selvan; Maji, Somnath","Design, synthesis, structural, spectral, and redox properties and phenoxazinone synthase activity of tripodal pentacoordinate Mn(ii) complexes with impressive turnover numbers","Dalton Transactions","2021","","","","","10.1039/D1DT01925B","","","0.71073","MoKα","","0.123","0.0668","","","0.1852","0.2104","","","","","","1.044","","","","has coordinates","270534","2021-11-09","00:00:33",""
"7708743","14.6833","0.0019","15.3453","0.0018","16.604","0.002","84.817","0.004","64.107","0.004","62.525","0.004","2956.9","0.7","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","[Mn(Me3NTB)Cl]Cl","","- C54 H54 Cl4 Mn2 N14 -","- C54 H54 Cl4 Mn2 N14 -","- C108 H108 Cl8 Mn4 N28 -","2","1","","Kumbhakar, Sadananda; Giri, Bishnubasu; Muley, Arabinda; Karumban, Kalai Selvan; Maji, Somnath","Design, synthesis, structural, spectral, and redox properties and phenoxazinone synthase activity of tripodal pentacoordinate Mn(ii) complexes with impressive turnover numbers","Dalton Transactions","2021","","","","","10.1039/D1DT01925B","","","0.71073","MoKα","","0.0979","0.0595","","","0.165","0.1858","","","","","","1.041","","","","has coordinates","270534","2021-11-09","00:00:34",""
"7708744","14.0258","0.0007","23.605","0.0012","25.9645","0.0013","97.984","0.002","95.386","0.003","97.759","0.002","8379.3","0.7","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H86 N12 O22 Zn3 -","- C87 H86 N12 O22 Zn3 -","- C174 H172 N24 O44 Zn6 -","2","1","","Gao, Yu; Li, Yuzhu; Liang, Chen; Cen, Peipei; Xi, Jing; Guo, Yan; Song, Weiming; Liu, Xiangyu","Two mesoporous anionic metal-organic frameworks for selective and efficient adsorption of cationic organic dye","Dalton Transactions","2021","","","","","10.1039/D1DT03131G","","x-ray","1.34139","GaKα","","0.0983","0.0732","","","0.1989","0.2141","","","","","","1.022","","","","has coordinates","270535","2021-11-09","00:01:26",""
"7708745","30.593","0.003","51.691","0.005","13.1185","0.0012","90","","110.9","0.004","90","","19380","3","193","2","193","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C88 H92 Cd2 N13 O20 -","- C88 H92 Cd2 N13 O20 -","- C352 H368 Cd8 N52 O80 -","4","0.5","","Gao, Yu; Li, Yuzhu; Liang, Chen; Cen, Peipei; Xi, Jing; Guo, Yan; Song, Weiming; Liu, Xiangyu","Two mesoporous anionic metal-organic frameworks for selective and efficient adsorption of cationic organic dye","Dalton Transactions","2021","","","","","10.1039/D1DT03131G","","","1.34139","GaKα","","0.1409","0.1015","","","0.2563","0.2758","","","","","","1.044","","","","has coordinates,has disorder","270535","2021-11-09","00:01:27",""
"7708746","15.6402","0.0004","10.5052","0.0003","18.504","0.0004","90","","95.757","0.002","90","","3024.94","0.13","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cu N2 S2 -","- C33 H39 Cu N2 S2 -","- C132 H156 Cu4 N8 S8 -","4","1","","Romanov, Alexander S.; Linnolahti, Mikko; Bochmann, Manfred","Synthesis and Photophysical Properties of Linear Gold(I) Complexes Based on a CCC Carbene 50th Volume Themed Issue","Dalton Transactions","2021","","","","","10.1039/D1DT03393J","","","0.71073","MoKα","","0.0435","0.0351","","","0.0826","0.0875","","","","","","1.046","","","","has coordinates,has disorder","270536","2021-11-09","00:01:56",""
"7708747","5.92194","0.00016","11.2781","0.0003","12.7041","0.0004","106.137","0.002","92.992","0.002","92.277","0.002","812.64","0.04","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C6 N12 O14 -","- C6 N12 O14 -","- C12 N24 O28 -","2","1","","Shreeve, Jean'ne M.; Chinnam, Ajay Kumar; Staples, Richard J.","1,2-Bis(5-(trinitromethyl)-1,2,4-oxadiazol-3-yl)diazene: A Water Stable, High-Performing Green Oxidizer","Dalton Transactions","2021","","","","","10.1039/D1DT03496K","","x-ray","1.54184","CuKα","","0.0768","0.066","","","0.1794","0.1903","","","","","","1.057","","","","has coordinates","270551","2021-11-10","00:03:59",""
"7708748","14.3831","0.0002","16.4005","0.0001","15.1624","0.0002","90","","114.381","0.001","90","","3257.69","0.07","100.01","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Co F6 N2 O4 -","- C36 H28 Co F6 N2 O4 -","- C144 H112 Co4 F24 N8 O16 -","4","1","","Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette","Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03327A","","","1.54184","CuKα","","0.0343","0.0306","","","0.0769","0.0789","","","","","","1.054","","","","has coordinates,has disorder","270552","2021-11-10","00:06:50",""
"7708749","12.3235","0.0001","20.2915","0.0002","12.5239","0.0001","90","","100.652","0.001","90","","3077.79","0.05","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H28.23 Cl2 Co N2 O4.12 -","- C34 H28.232 Cl2 Co N2 O4.116 -","- C136 H112.928 Cl8 Co4 N8 O16.464 -","4","1","","Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette","Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03327A","","","1.54184","CuKα","","0.0351","0.0313","","","0.0796","0.0821","","","","","","1.045","","","","has coordinates","270552","2021-11-10","00:06:51",""
"7708750","12.2535","0.0004","12.3381","0.0004","14.8997","0.0004","84.468","0.002","75.53","0.003","61.275","0.003","1911.99","0.12","175","0.1","175","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 Co F6 N2 O4 P -","- C36 H34 Co F6 N2 O4 P -","- C72 H68 Co2 F12 N4 O8 P2 -","2","1","","Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette","Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03327A","","","1.54184","CuKα","","0.0837","0.0791","","","0.2378","0.2434","","","","","","1.094","","","","has coordinates,has disorder","270552","2021-11-10","00:06:52",""
"7708751","11.6363","0.0001","20.4317","0.0002","12.9379","0.0001","90","","93.625","0.001","90","","3069.82","0.05","99.98","0.12","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 Co N2 O4 -","- C36 H34 Co N2 O4 -","- C144 H136 Co4 N8 O16 -","4","1","","Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette","Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03327A","","","1.54184","CuKα","","0.0353","0.0309","","","0.0766","0.0791","","","","","","1.042","","","","has coordinates,has disorder","270552","2021-11-10","00:06:52",""
"7708752","13.1918","0.0001","19.027","0.0001","13.2321","0.0001","90","","107.272","0.001","90","","3171.49","0.04","100","0.1","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cl2 Co N2 O5 -","- C34 H30 Cl2 Co N2 O5 -","- C136 H120 Cl8 Co4 N8 O20 -","4","1","","Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette","Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03327A","","","1.54184","CuKα","","0.0346","0.0319","","","0.0831","0.0849","","","","","","1.062","","","","has coordinates,has disorder","270552","2021-11-10","00:06:52",""
"7708753","30.221","0.006","19.317","0.004","21.459","0.004","90","","133.02","0.03","90","","9159","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Co N2 O4 -","- C34 H30 Co N2 O4 -","- C408 H360 Co12 N24 O48 -","12","1.5","","Nadurata, Vincent L.; Hay, Moya A.; Janetzki, Jett T.; Gransbury, Gemma K.; Boskovic, Colette","Rich redox-activity and solvatochromism in a family of heteroleptic cobalt complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03327A","","","0.71073","MoKα","","0.0568","0.0469","","","0.1317","0.1425","","","","","","1.081","","","","has coordinates,has disorder","270552","2021-11-10","00:06:52",""
"7708754","12.9989","0.0013","17.5588","0.0012","27.87","0.003","90","","126.986","0.016","90","","5081.2","1.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Fe N4 P -","- C64 H66 Fe N4 P -","- C256 H264 Fe4 N16 P4 -","4","1","","Nazarov, Dmitry I.; Andronov, Mikhail G.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Macrocycle- and metal-centered reduction of metal tetraphenylporphyrins where the metal is copper(II), nickel(II) and iron(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15620","15632","10.1039/d1dt02573b","","x-ray","0.71073","MoKα","","0.1925","0.0803","","","0.1473","0.1984","","","","","","1.051","","","","has coordinates,has disorder","270553","2021-11-10","00:08:44",""
"7708755","13.0766","0.0004","17.421","0.0003","27.8842","0.001","90","","126.742","0.005","90","","5090.3","0.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 N4 Ni P -","- C64 H66 N4 Ni P -","- C256 H264 N16 Ni4 P4 -","4","1","","Nazarov, Dmitry I.; Andronov, Mikhail G.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Macrocycle- and metal-centered reduction of metal tetraphenylporphyrins where the metal is copper(II), nickel(II) and iron(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15620","15632","10.1039/d1dt02573b","","x-ray","0.71073","MoKα","","0.1048","0.0592","","","0.0982","0.123","","","","","","1.06","","","","has coordinates,has disorder","270553","2021-11-10","00:08:46",""
"7708756","13.128","0.0001","16.775","0.0001","27.6823","0.0003","90","","102.25","0.001","90","","5957.45","0.09","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H72 Cs N6 Ni O6 -","- C69 H72 Cs N6 Ni O6 -","- C276 H288 Cs4 N24 Ni4 O24 -","4","1","","Nazarov, Dmitry I.; Andronov, Mikhail G.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Macrocycle- and metal-centered reduction of metal tetraphenylporphyrins where the metal is copper(II), nickel(II) and iron(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15620","15632","10.1039/d1dt02573b","","x-ray","0.71073","MoKα","","0.0334","0.0262","","","0.0564","0.0594","","","","","","1.033","","","","has coordinates","270553","2021-11-10","00:08:46",""
"7708757","20.0683","0.0002","43.066","0.0005","17.5575","0.0002","90","","94.816","0.001","90","","15120.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C160 H200 Cs4 Cu2 N16 O24 -","- C160 H200 Cs4 Cu2 N16 O24 -","- C640 H800 Cs16 Cu8 N64 O96 -","4","1","","Nazarov, Dmitry I.; Andronov, Mikhail G.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Yudanova, Evgeniya I.; Shestakov, Alexander F.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Macrocycle- and metal-centered reduction of metal tetraphenylporphyrins where the metal is copper(II), nickel(II) and iron(II).","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15620","15632","10.1039/d1dt02573b","","x-ray","0.71073","MoKα","","0.0463","0.0359","","","0.0856","0.0901","","","","","","1.052","","","","has coordinates,has disorder","270553","2021-11-10","00:08:47",""
"7708758","9.0361","0.0006","30.505","0.002","10.5031","0.0006","90","","93.623","0.005","90","","2889.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 Cl N3 O Ru -","- C32 H38 Cl N3 O Ru -","- C128 H152 Cl4 N12 O4 Ru4 -","4","1","","Prakasham, A. P.; Ta, Sabyasachi; Dey, Shreyata; Ghosh, Prasenjit","One pot tandem dual CC and CO bond reductions in the β-alkylation of secondary alcohols with primary alcohols by ruthenium complexes of amido and picolyl functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15640","15654","10.1039/d1dt02849a","","x-ray","0.71073","MoKα","","0.0952","0.0617","","","0.1314","0.15","","","","","","1.061","","","","has coordinates","270554","2021-11-10","00:10:04",""
"7708759","8.2367","0.0003","9.1208","0.0003","17.8719","0.0005","93.836","0.002","93.825","0.002","97.623","0.003","1323.9","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl2 N3 O2 Ru -","- C27 H35 Cl2 N3 O2 Ru -","- C54 H70 Cl4 N6 O4 Ru2 -","2","1","","Prakasham, A. P.; Ta, Sabyasachi; Dey, Shreyata; Ghosh, Prasenjit","One pot tandem dual CC and CO bond reductions in the β-alkylation of secondary alcohols with primary alcohols by ruthenium complexes of amido and picolyl functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15640","15654","10.1039/d1dt02849a","","","0.71073","MoKα","","0.0576","0.045","","","0.1013","0.1094","","","","","","1.054","","","","has coordinates","270554","2021-11-10","00:10:05",""
"7708760","8.0275","0.0003","13.1953","0.0005","15.2588","0.0006","103.407","0.003","104.358","0.003","102.686","0.003","1455.8","0.11","150","2","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 Cl N3 O Ru -","- C32 H38 Cl N3 O Ru -","- C64 H76 Cl2 N6 O2 Ru2 -","2","1","","Prakasham, A. P.; Ta, Sabyasachi; Dey, Shreyata; Ghosh, Prasenjit","One pot tandem dual CC and CO bond reductions in the β-alkylation of secondary alcohols with primary alcohols by ruthenium complexes of amido and picolyl functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15640","15654","10.1039/d1dt02849a","","","0.71073","MoKα","","0.0667","0.0554","","","0.1324","0.1422","","","","","","1.068","","","","has coordinates","270554","2021-11-10","00:10:05",""
"7708761","9.8162","0.0002","16.0104","0.0003","10.8039","0.0002","90","","90.098","0.002","90","","1697.95","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Ag Cl N3 -","- C17 H17 Ag Cl N3 -","- C68 H68 Ag4 Cl4 N12 -","4","1","","Prakasham, A. P.; Ta, Sabyasachi; Dey, Shreyata; Ghosh, Prasenjit","One pot tandem dual CC and CO bond reductions in the β-alkylation of secondary alcohols with primary alcohols by ruthenium complexes of amido and picolyl functionalized N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","43","15640","15654","10.1039/d1dt02849a","","","0.71073","MoKα","","0.0316","0.0268","","","0.0605","0.0634","","","","","","1.054","","","","has coordinates","270554","2021-11-10","00:10:05",""
"7708762","8.0271","0.0003","6.3124","0.0002","11.9022","0.0004","90","","96.121","0.001","90","","599.65","0.04","273.15","","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","RbMoPO","","- Mo2 O14 P3 Rb -","- Mo2 O14 P3 Rb -","- Mo4 O28 P6 Rb2 -","2","1","","Zhang, Rui; Su, Xin; Zhang, Jie; Xiong, Mingyao; Huang, Yi-Neng","RbMo2P3O14 with Large Birefringence Mainly Induced by Highly Distorted [MoO6] in the Uncommon [Mo2P3O14]∞ Layers","Dalton Transactions","2021","","","","","10.1039/D1DT03285B","","","0.71073","MoKα","","0.0207","0.0195","","","0.0464","0.0471","","","","","","1.059","","","","has coordinates","270555","2021-11-10","00:10:49",""
"7708763","15.5072","0.0003","15.5889","0.0003","22.8805","0.0005","85.18","0.002","79.737","0.002","86.402","0.002","5416.95","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl2 Gd O15 Ti2 -","- C49 H63 Cl2 Gd O15 Ti2 -","- C196 H252 Cl8 Gd4 O60 Ti8 -","4","2","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.1333","0.071","","","0.149","0.176","","","","","","1.039","","","","has coordinates","270556","2021-11-10","00:13:11",""
"7708764","21.4543","0.0005","13.9595","0.0003","21.5029","0.0005","90","","117.251","0.001","90","","5725.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H71 Cl2 Ho O16 Ti2 -","- C52 H71 Cl2 Ho O16 Ti2 -","- C208 H284 Cl8 Ho4 O64 Ti8 -","4","1","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.0503","0.0376","","","0.0886","0.0962","","","","","","1.04","","","","has coordinates,has disorder","270556","2021-11-10","00:13:13",""
"7708765","15.4836","0.0006","15.596","0.0006","22.9117","0.0009","84.978","0.003","79.409","0.003","86.553","0.003","5412.2","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl2 Dy O15 Ti2 -","- C49 H63 Cl2 Dy O15 Ti2 -","- C196 H252 Cl8 Dy4 O60 Ti8 -","4","2","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.1391","0.0765","","","0.1765","0.2102","","","","","","1.004","","","","has coordinates","270556","2021-11-10","00:13:13",""
"7708766","15.4971","0.0004","15.5805","0.0004","22.8741","0.0006","85.1389","0.0013","79.6785","0.0013","86.4276","0.0014","5407.8","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl2 O15 Tb Ti2 -","- C49 H63 Cl2 O15 Tb Ti2 -","- C196 H252 Cl8 O60 Tb4 Ti8 -","4","2","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.0842","0.0603","","","0.1255","0.1404","","","","","","1.065","","","","has coordinates","270556","2021-11-10","00:13:13",""
"7708767","15.5101","0.0003","15.5865","0.0003","22.8777","0.0005","85.4138","0.0012","79.8656","0.0012","86.3382","0.0011","5419.93","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl2 Eu O15 Ti2 -","- C49 H63 Cl2 Eu O15 Ti2 -","- C196 H252 Cl8 Eu4 O60 Ti8 -","4","2","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.0995","0.0597","","","0.1277","0.1466","","","","","","1.038","","","","has coordinates","270556","2021-11-10","00:13:14",""
"7708768","21.4699","0.0005","13.9439","0.0003","21.519","0.0005","90","","117.373","0.0012","90","","5720.9","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H71 Cl2 Er O16 Ti2 -","- C52 H71 Cl2 Er O16 Ti2 -","- C208 H284 Cl8 Er4 O64 Ti8 -","4","1","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.0705","0.0463","","","0.0985","0.1109","","","","","","1.047","","","","has coordinates,has disorder","270556","2021-11-10","00:13:14",""
"7708769","15.4492","0.0004","15.5949","0.0004","22.9087","0.0005","84.7357","0.0014","79.4089","0.0014","86.5626","0.0014","5397.2","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H63 Cl2 O15 Ti2 Yb -","- C49 H63 Cl2 O15 Ti2 Yb -","- C196 H252 Cl8 O60 Ti8 Yb4 -","4","2","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.0626","0.0407","","","0.0859","0.0955","","","","","","1.036","","","","has coordinates","270556","2021-11-10","00:13:14",""
"7708770","30.907","0.003","17.5383","0.0009","31.7979","0.0017","90","","97.233","0.002","90","","17099","2","180","2","180","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C83 H88 O25 Ti4 -","- C83 H88 O25 Ti4 -","- C664 H704 O200 Ti32 -","8","1","","Fang, Wei-hui; Muller, Rosa; Jethwa, Rajesh Bharat; Riesgo-González, Victor; Li, Ning; Pike, Sebastian D.; Bond, Andrew David; Luo, He-Kuan; Zhang, Chen; Wright, Dominic S.","Titanium Compounds Containing Naturally Occurring Dye Molecules","Dalton Transactions","2021","","","","","10.1039/D1DT03377H","","","1.54178","CuKα","","0.1406","0.0999","","","0.2857","0.3407","","","","","","1.04","","","","has coordinates","270556","2021-11-10","00:13:14",""
"7708771","22.8309","0.0014","18.9924","0.0013","20.3151","0.0011","90","","109.757","0.002","90","","8290.4","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H44 B Br2 Cl P2 -","- C47.5 H44 B Br2 Cl P2 -","- C380 H352 B8 Br16 Cl8 P16 -","8","2","","Xiang, Libo; Wang, Junyi; Su, Wei; Lin, Zhenyang; Ye, Qing","Facile Access to Halogenated Cationic B=C-centered Organoboron Isoelectronic with Alkenyl Halides","Dalton Transactions","2021","","","","","10.1039/D1DT03325E","","","0.71073","MoKα","","0.0745","0.0494","","","0.1235","0.1329","","","","","","1.067","","","","has coordinates","270586","2021-11-10","23:58:45",""
"7708772","17.218","0.001","13.9664","0.0008","18.1404","0.001","90","","90","","90","","4362.3","0.4","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C48 H45 B Br2 Cl2 O P2 -","- C48 H45 B Br2 Cl2 O P2 -","- C192 H180 B4 Br8 Cl8 O4 P8 -","4","1","","Xiang, Libo; Wang, Junyi; Su, Wei; Lin, Zhenyang; Ye, Qing","Facile Access to Halogenated Cationic B=C-centered Organoboron Isoelectronic with Alkenyl Halides","Dalton Transactions","2021","","","","","10.1039/D1DT03325E","","","0.71073","MoKα","","0.0897","0.0653","","","0.1674","0.1818","","","","","","1.039","","","","has coordinates,has disorder","270586","2021-11-10","23:58:46",""
"7708773","7.9486","0.0009","12.9217","0.0015","13.963","0.0017","90","","90.085","0.006","90","","1434.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 N4 O11 Zn2 -","- C28 H26 N4 O11 Zn2 -","- C56 H52 N8 O22 Zn4 -","2","0.5","","He, Liancheng; Wang, Rui-dong; Wang, Shuyu; Zhu, Rong-Rong; Li, Zhihao; Wu, Yuan-yuan; Ma, Jie; Du, Lin; Zhao, Qi-Hua","An AIE material with time-dependent luminescence conversion obtained by 2D coordination polymer modification via covalent post-synthetic modification","Dalton Transactions","2021","","","","","10.1039/D1DT03044B","","","0.71073","MoKα","","0.0868","0.0565","","","0.135","0.1599","","","","","","1.087","","","","has coordinates,has disorder","270587","2021-11-10","23:59:15",""
"7708774","16.2048","0.0005","22.1257","0.0006","22.36","0.0006","90","","90","","90","","8017","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu2 N8 O9 -","- C38 H36 Cu2 N8 O9 -","- C304 H288 Cu16 N64 O72 -","8","2","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","x-ray","0.71073","MoKα","","0.0921","0.0675","","","0.145","0.1653","","","","","","1.03","","","","has coordinates","270588","2021-11-11","00:00:41",""
"7708775","8.9786","0.0004","10.6986","0.0004","11.1021","0.0006","63.83","0.005","87.6","0.004","75.968","0.004","925.97","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N8 O10 Zn2 -","- C38 H38 N8 O10 Zn2 -","- C38 H38 N8 O10 Zn2 -","1","0.5","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","","0.71073","MoKα","","0.0474","0.0401","","","0.0961","0.1017","","","","","","1.052","","","","has coordinates","270588","2021-11-11","00:00:41",""
"7708776","7.8784","0.0003","12.9044","0.0005","14.3059","0.0006","72.54","0.004","85.511","0.003","86.024","0.003","1381.55","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 F6 N4 O4 P Ru -","- C26 H28 F6 N4 O4 P Ru -","- C52 H56 F12 N8 O8 P2 Ru2 -","2","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","","0.71073","MoKα","","0.0782","0.054","","","0.1003","0.1141","","","","","","1.049","","","","has coordinates,has disorder","270588","2021-11-11","00:00:41",""
"7708777","22.943","0.004","8.4666","0.0011","23.193","0.004","90","","112.08","0.02","90","","4174.8","1.3","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C46 H44 Cu2 N4 O8 -","- C46 H44 Cu2 N4 O8 -","- C184 H176 Cu8 N16 O32 -","4","0.5","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","x-ray","0.71073","MoKα","","0.2161","0.0996","","","0.1849","0.2541","","","","","","1.025","","","","has coordinates","270588","2021-11-11","00:00:41",""
"7708778","25.4894","0.0009","7.8244","0.0003","25.578","0.0014","90","","92.559","0.004","90","","5096.2","0.4","150","2","150","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H24 N8 O -","- C30 H24 N8 O -","- C240 H192 N64 O8 -","8","1","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","","0.71073","MoKα","","0.1097","0.0698","","","0.1638","0.1975","","","","","","1.021","","","","has coordinates","270588","2021-11-11","00:00:44",""
"7708779","10.2232","0.0004","15.4947","0.0008","17.325","0.0009","107.498","0.005","91.042","0.004","102.343","0.004","2546.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N4 O4 Zn -","- C25 H22 N4 O4 Zn -","- C100 H88 N16 O16 Zn4 -","4","2","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","x-ray","0.71073","MoKα","","0.1468","0.1004","","","0.2536","0.3025","","","","","","1.029","","","","has coordinates","270588","2021-11-11","00:01:03",""
"7708780","8.713","0.004","14.39","0.006","12.347","0.005","90","","101.929","0.016","90","","1514.6","1.1","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","nBu-Pypyr_SnCl","","- C15 H19 Cl N2 Sn -","- C15 H19 Cl N2 Sn -","- C60 H76 Cl4 N8 Sn4 -","4","1","","Pahar, Sanjukta; Sharma, Vishal; Tothadi, Srinu; Sen, Sakya S.","Pyridylpyrrolido ligand in Ge(ii) and Sn(ii) chemistry: synthesis, reactivity and catalytic application","Dalton Transactions","2021","","","","","10.1039/D1DT03136H","","","0.71073","MoKα","","0.0321","0.0281","","","0.0873","0.1","","","","","","1.36","","","","has coordinates","270589","2021-11-11","00:04:05",""
"7708781","11.9136","0.0007","12.1859","0.0007","13.5673","0.0008","91.477","0.002","103.126","0.002","90.79","0.002","1917.18","0.19","100","2","100","","","","","","","","","4","P -1","-P 1","2","","Homoleptic_Sn","","- C22 H22 N4 Sn -","- C22 H22 N4 Sn -","- C88 H88 N16 Sn4 -","4","2","","Pahar, Sanjukta; Sharma, Vishal; Tothadi, Srinu; Sen, Sakya S.","Pyridylpyrrolido ligand in Ge(ii) and Sn(ii) chemistry: synthesis, reactivity and catalytic application","Dalton Transactions","2021","","","","","10.1039/D1DT03136H","","","0.71073","MoKα","","0.0633","0.0491","","","0.0957","0.1004","","","","","","1.268","","","","has coordinates,has disorder","270589","2021-11-11","00:04:05",""
"7708782","8.7746","0.0003","9.7135","0.0004","17.1214","0.0007","77.682","0.001","83.909","0.001","69.398","0.001","1333.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","Pypyr_Ge-SiTMS","","- C20 H38 Ge N2 Si4 -","- C20 H38 Ge N2 Si4 -","- C40 H76 Ge2 N4 Si8 -","2","1","","Pahar, Sanjukta; Sharma, Vishal; Tothadi, Srinu; Sen, Sakya S.","Pyridylpyrrolido ligand in Ge(ii) and Sn(ii) chemistry: synthesis, reactivity and catalytic application","Dalton Transactions","2021","","","","","10.1039/D1DT03136H","","","0.71073","MoKα","","0.0324","0.0281","","","0.0718","0.0743","","","","","","1.024","","","","has coordinates","270589","2021-11-11","00:04:05",""
"7708783","7.8354","0.0007","11.7342","0.001","16.9181","0.0016","83.968","0.003","84.442","0.003","75.253","0.002","1491.9","0.2","100","2","100","","","","","","","","","5","P -1","-P 1","2","","Pypyr_Ge-NPFPy","","- C16 H11 F4 Ge N3 -","- C16 H11 F4 Ge N3 -","- C64 H44 F16 Ge4 N12 -","4","2","","Pahar, Sanjukta; Sharma, Vishal; Tothadi, Srinu; Sen, Sakya S.","Pyridylpyrrolido ligand in Ge(ii) and Sn(ii) chemistry: synthesis, reactivity and catalytic application","Dalton Transactions","2021","","","","","10.1039/D1DT03136H","","","0.71073","MoKα","","0.0503","0.0339","","","0.0722","0.08","","","","","","1.045","","","","has coordinates","270589","2021-11-11","00:04:06",""
"7708784","8.093","0.005","9.105","0.006","9.124","0.006","112.29","0.02","105.46","0.04","96.8","0.03","581.1","0.7","100","2","100","","","","","","","","","5","P -1","-P 1","2","","Pypyr_SnCl","","- C11 H11 Cl N2 Sn -","- C11 H11 Cl N2 Sn -","- C22 H22 Cl2 N4 Sn2 -","2","1","","Pahar, Sanjukta; Sharma, Vishal; Tothadi, Srinu; Sen, Sakya S.","Pyridylpyrrolido ligand in Ge(ii) and Sn(ii) chemistry: synthesis, reactivity and catalytic application","Dalton Transactions","2021","","","","","10.1039/D1DT03136H","","","0.71073","MoKα","","0.027","0.0226","","","0.0565","0.0581","","","","","","1.146","","","","has coordinates","270589","2021-11-11","00:04:06",""
"7708785","8.93","0.003","9.723","0.003","17.277","0.005","78.349","0.014","84.063","0.009","68.696","0.011","1368.1","0.7","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","Pypyr_Sn-SiTMS","","- C20 H38 N2 Si4 Sn -","- C20 H38 N2 Si4 Sn -","- C40 H76 N4 Si8 Sn2 -","2","1","","Pahar, Sanjukta; Sharma, Vishal; Tothadi, Srinu; Sen, Sakya S.","Pyridylpyrrolido ligand in Ge(ii) and Sn(ii) chemistry: synthesis, reactivity and catalytic application","Dalton Transactions","2021","","","","","10.1039/D1DT03136H","","","0.71073","MoKα","","0.0226","0.0196","","","0.0548","0.0636","","","","","","1.231","","","","has coordinates","270589","2021-11-11","00:04:06",""
"7708786","13.0965","0.0006","10.4041","0.0005","14.1531","0.0006","90","","99.845","0.003","90","","1900.06","0.15","297","2","297","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H22 B12 Br2 S2 -","- C6 H22 B12 Br2 S2 -","- C24 H88 B48 Br8 S8 -","4","0.5","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0315","0.0254","","","0.0625","0.0654","","","","","","1.023","","","","has coordinates","270590","2021-11-11","00:06:11",""
"7708787","9.2458","0.0003","13.6832","0.0005","14.5973","0.0005","75.755","0.001","85.964","0.001","87.73","0.001","1785.04","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H46 B12 Br2 Si4 -","- C18 H46 B12 Br2 Si4 -","- C36 H92 B24 Br4 Si8 -","2","1","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","1.54178","CuKα","","0.0532","0.0528","","","0.1429","0.1435","","","","","","1.09","","","","has coordinates,has disorder","270590","2021-11-11","00:06:12",""
"7708788","10.2053","0.0006","10.4663","0.0007","11.7394","0.0007","90.808","0.002","111.709","0.002","108.033","0.002","1095.95","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 B12 Br2 S -","- C10 H28 B12 Br2 S -","- C20 H56 B24 Br4 S2 -","2","1","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0471","0.0417","","","0.1025","0.1069","","","","","","1.043","","","","has coordinates","270590","2021-11-11","00:06:12",""
"7708789","9.8716","0.0005","26.4281","0.0015","9.6977","0.0005","90","","114.193","0.001","90","","2307.8","0.2","274","2","274","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H30 B12 Br2 S -","- C12 H30 B12 Br2 S -","- C48 H120 B48 Br8 S4 -","4","1","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0289","0.0273","","","0.0698","0.0708","","","","","","1.035","","","","has coordinates","270590","2021-11-11","00:06:12",""
"7708790","13.4739","0.0003","14.791","0.0003","11.65","0.0003","90","","90","","90","","2321.76","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C13 H32 B12 Br2 S2 -","- C13 H32 B12 Br2 S2 -","- C52 H128 B48 Br8 S8 -","4","0.5","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0261","0.0239","","","0.0597","0.0613","","","","","","1.054","","","","has coordinates","270590","2021-11-11","00:06:17",""
"7708791","7.1932","0.0005","9.4805","0.0006","18.3732","0.0012","76.724","0.002","86.032","0.002","73.834","0.002","1171.24","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11.5 H30 B12 Br2 S2 -","- C11.5 H26 B12 Br2 S2 -","- C23 H52 B24 Br4 S4 -","2","1","","Zhong, Minling; Zhang, Jie; Lu, Zhenpin; Xie, Zuowei","Diboration of Alkenes and Alkynes with a Carborane-Fused Four-Membered Boracycle Bearing an Electron-Precise B-B Bond","Dalton Transactions","2021","","","","","10.1039/D1DT03665C","","","0.71073","MoKα","","0.0481","0.0418","","","0.1094","0.1142","","","","","","1.051","","","","has coordinates","270590","2021-11-11","00:06:18",""
"7708792","10.0475","0.0007","10.7852","0.0005","13.3559","0.0008","103.912","0.004","107.59","0.006","93.543","0.005","1324.95","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 Au Cl N3 -","- C30 H27 Au Cl N3 -","- C60 H54 Au2 Cl2 N6 -","2","1","","Narayana, Mannem Adi; Vaddamanu, Moulali; Sathyanarayana, Arruri; Siddhant, Kumar; Sugiyama, Shohei; Ozaki, Kazuhisa; Rengan, Aravind Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan","A gold(i) 1,2,3-triazolylidene complex featuring the interaction between gold and methine hydrogen","Dalton Transactions","2021","","","","","10.1039/D1DT02827H","","x-ray","0.71073","MoKα","","0.0506","0.0363","","","0.0675","0.0795","","","","","","1.0086","","","","has coordinates","270605","2021-11-12","00:00:45",""
"7708793","18.1333","0.0011","18.1333","0.0011","12.593","0.0013","90","","90","","90","","4140.8","0.6","296","2","296","2","","","","","","","","4","I -4","I -4","82","","SQNU-55","","- C30 H16 Mn2 O10 -","- C30 H16 Mn2 O10 -","- C120 H64 Mn8 O40 -","4","0.5","","Zhang, Jian-Wei; Li, Hui; Li, Jieqiong; Chen, Ya; Qu, Peng; Zhai, Quan-Guo","Enhancement of the fluorescence properties via introducing the tetraphenylethylene chromophores into a novel Mn–organic framework with a rare [Mn4(μ3-OH)2] cluster","Dalton Transactions","2021","","","","","10.1039/D1DT03349B","","","0.71073","MoKα","","0.2286","0.1493","","","0.31","0.3491","","","","","","1.067","","","","has coordinates,has disorder","270606","2021-11-12","00:01:13",""
"7708794","9.356","0.0003","14.1423","0.0004","17.553","0.0005","90","","103.017","0.003","90","","2262.85","0.12","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl2 N2 Pd -","- C25 H26 Cl2 N2 Pd -","- C100 H104 Cl8 N8 Pd4 -","4","1","","Maliszewska, Hanna K.; Arnau del Valle, Carla; Xia, Ying; Marín, María J.; Waller, Zoë A. E.; Muñoz, María Paz","Precious metal complexes of bis(pyridyl)allenes: synthesis and catalytic and medicinal applications","Dalton Transactions","2021","","","","","10.1039/D1DT02929K","","x-ray","0.71073","MoKα","","0.0262","0.024","","","0.0567","0.0574","","","","","","1.063","","","","has coordinates","270607","2021-11-12","00:01:38",""
"7708795","24.5266","0.0005","24.5266","0.0005","22.6333","0.0006","90","","90","","120","","11791.1","0.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H20 Cl4 N4 O3 Zn -","- C24 H16 Cl3.99997 N4 O Zn -","- C432 H288 Cl71.9994 N72 O18 Zn18 -","18","1","","Xu, Fei; Li, Gang-Mei; Wang, Ani; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Modulating the structure and photochromic performance of hybrid metal chloride with nonphotochromic 1,10-phenanthroline and its derivative","Dalton Transactions","2021","","","","","10.1039/D1DT02899E","","","0.71073","MoKα","","0.1057","0.0936","","","0.265","0.2749","","","","","","1.043","","","","has coordinates,has disorder","270608","2021-11-12","00:02:38",""
"7708796","15.9182","0.0009","10.8666","0.0005","8.1504","0.0006","90","","107.692","0.006","90","","1343.15","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 Cl6 N4 Pb2 -","- C24 H16 Cl6 N4 Pb2 -","- C48 H32 Cl12 N8 Pb4 -","2","0.25","","Xu, Fei; Li, Gang-Mei; Wang, Ani; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Modulating the structure and photochromic performance of hybrid metal chloride with nonphotochromic 1,10-phenanthroline and its derivative","Dalton Transactions","2021","","","","","10.1039/D1DT02899E","","","0.71073","MoKα","","0.0528","0.0476","","","0.1134","0.1163","","","","","","1.094","","","","has coordinates,has disorder","270608","2021-11-12","00:02:40",""
"7708797","9.7812","0.0004","38.9332","0.0014","7.1869","0.0003","90","","107.467","0.004","90","","2610.67","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H14 Cd2 Cl6 N4 -","- C24 H14 Cd2 Cl6 N4 -","- C96 H56 Cd8 Cl24 N16 -","4","2","","Xu, Fei; Li, Gang-Mei; Wang, Ani; Han, Song-De; Pan, Jie; Wang, Guo-Ming","Modulating the structure and photochromic performance of hybrid metal chloride with nonphotochromic 1,10-phenanthroline and its derivative","Dalton Transactions","2021","","","","","10.1039/D1DT02899E","","","0.71073","MoKα","","0.0798","0.0732","","","0.1517","0.1562","","","","","","1.103","","","","has coordinates,has disorder","270608","2021-11-12","00:02:40",""
"7708798","6.5948","0.0002","16.304","0.0005","11.1075","0.0004","90","","92.027","0.001","90","","1193.55","0.07","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H5 Ag N6 -","- C11 H5 Ag N6 -","- C44 H20 Ag4 N24 -","4","1","","Nimax, Patrick; Rotthowe, Nils; Zoller, Florian; Blockhaus, Tobias; Wagner, Friedrich Ernst; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","Coordination polymers of 5-substituted 1,2,3,4-tetracyanocyclopentadienides: structural and electrochemical properties of complex compounds of 5-amino- and 5-nitro-tetracyanocyclopentadienide","Dalton Transactions","2021","","","","","10.1039/D1DT02866A","","","0.71073","MoKα","","0.0298","0.0248","","","0.063","0.0672","","","","","","1.077","","","","has coordinates","270610","2021-11-12","00:03:44",""
"7708799","6.17","0.0003","10.8301","0.0006","16.8422","0.0009","90","","90","","90","","1125.42","0.1","123","2","123","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H2 Ag N5 O3 -","- C9 H2 Ag N5 O3 -","- C36 H8 Ag4 N20 O12 -","4","0.5","","Nimax, Patrick; Rotthowe, Nils; Zoller, Florian; Blockhaus, Tobias; Wagner, Friedrich Ernst; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","Coordination polymers of 5-substituted 1,2,3,4-tetracyanocyclopentadienides: structural and electrochemical properties of complex compounds of 5-amino- and 5-nitro-tetracyanocyclopentadienide","Dalton Transactions","2021","","","","","10.1039/D1DT02866A","","","0.71073","MoKα","","0.036","0.0279","","","0.0555","0.0617","","","","","","1.1","","","","has coordinates,has disorder","270610","2021-11-12","00:03:46",""
"7708800","6.5523","0.0002","10.7066","0.0004","15.8675","0.0005","90","","90","","90","","1113.15","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H2 K N5 O3 -","- C9 H2 K N5 O3 -","- C36 H8 K4 N20 O12 -","4","1","","Nimax, Patrick; Rotthowe, Nils; Zoller, Florian; Blockhaus, Tobias; Wagner, Friedrich Ernst; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","Coordination polymers of 5-substituted 1,2,3,4-tetracyanocyclopentadienides: structural and electrochemical properties of complex compounds of 5-amino- and 5-nitro-tetracyanocyclopentadienide","Dalton Transactions","2021","","","","","10.1039/D1DT02866A","","","0.71073","MoKα","","0.0278","0.0256","","","0.0641","0.0657","","","","","","1.073","","","","has coordinates,has disorder","270610","2021-11-12","00:03:46",""
"7708801","10.562","0.003","15.544","0.005","22.521","0.008","89.307","0.007","88.185","0.004","89.273","0.005","3695","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H43 B9 O P2 Ru -","- C37 H43 B9 O P2 Ru -","- C148 H172 B36 O4 P8 Ru4 -","4","2","","Bould, Jonathan; Londesborough, Michael G. S.; Passarelli, Vincenzo; Clegg, William; Waddell, Paul G.; Cvačka, Josef; Macías, Ramón","A simple and high-yield route to iridium, rhodium, osmium and ruthenium nido-6-metalladecaborane compounds","Dalton Transactions","2021","","","","","10.1039/D1DT02971A","","","0.71073","MoKα","","0.0516","0.0383","","","0.0864","0.0925","","","","","","1.037","","","","has coordinates,has disorder","270611","2021-11-12","00:05:49",""
"7708802","9.7993","0.0002","13.3272","0.0002","22.1505","0.0004","82.1298","0.0014","81.7826","0.0015","87.9309","0.0015","2835.72","0.09","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.71 H66.43 B9 Cl1.71 O Os P4 Pt -","- C54.712 H66.424 B9 Cl1.712 O Os P4 Pt -","- C109.424 H132.848 B18 Cl3.424 O2 Os2 P8 Pt2 -","2","1","","Bould, Jonathan; Londesborough, Michael G. S.; Passarelli, Vincenzo; Clegg, William; Waddell, Paul G.; Cvačka, Josef; Macías, Ramón","A simple and high-yield route to iridium, rhodium, osmium and ruthenium nido-6-metalladecaborane compounds","Dalton Transactions","2021","","","","","10.1039/D1DT02971A","","","1.54184","CuKα","","0.0206","0.0182","","","0.042","0.043","","","","","","1.079","","","","has coordinates,has disorder","270611","2021-11-12","00:05:50",""
"7708803","11.49283","0.00013","16.98921","0.00013","11.52564","0.00015","90","","116.837","0.0015","90","","2008.05","0.05","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35 H46 B9 O P3 Pt Ru -","- C35 H46 B9 O P3 Pt Ru -","- C70 H92 B18 O2 P6 Pt2 Ru2 -","2","1","","Bould, Jonathan; Londesborough, Michael G. S.; Passarelli, Vincenzo; Clegg, William; Waddell, Paul G.; Cvačka, Josef; Macías, Ramón","A simple and high-yield route to iridium, rhodium, osmium and ruthenium nido-6-metalladecaborane compounds","Dalton Transactions","2021","","","","","10.1039/D1DT02971A","","","1.54184","CuKα","","0.0156","0.0151","","","0.0338","0.0341","","","","","","1.051","","","","has coordinates","270611","2021-11-12","00:05:50",""
"7708804","11.9431","0.0003","12.4326","0.0003","15.0763","0.0003","84.565","0.0017","78.068","0.002","71.413","0.002","2074.98","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.77 H43.77 B9 Cl2.3 O Os P2 -","- C37.768 H43.768 B9 Cl2.304 O Os P2 -","- C75.536 H87.536 B18 Cl4.608 O2 Os2 P4 -","2","1","","Bould, Jonathan; Londesborough, Michael G. S.; Passarelli, Vincenzo; Clegg, William; Waddell, Paul G.; Cvačka, Josef; Macías, Ramón","A simple and high-yield route to iridium, rhodium, osmium and ruthenium nido-6-metalladecaborane compounds","Dalton Transactions","2021","","","","","10.1039/D1DT02971A","","","1.54184","CuKα","","0.0289","0.0244","","","0.0563","0.0586","","","","","","1.037","","","","has coordinates,has disorder","270611","2021-11-12","00:05:50",""
"7708805","14.1861","0.0011","12.4176","0.001","13.8527","0.0011","90","","116.83","0.001","90","","2177.6","0.3","120","2","120.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl3 N3 O2 Pd S2 -","- C20 H18 Cl3 N3 O2 Pd S2 -","- C80 H72 Cl12 N12 O8 Pd4 S8 -","4","1","","Aleksanyan, Diana V.; Churusova, Svetlana G.; Brunova, Valentina V.; Peregudov, Alexander S.; Shakhov, Aleksander M.; Rybalkina, Ekaterina Yu.; Klemenkova, Zinaida S.; Kononova, Elena G.; Denisov, Gleb L.; Kozlov, Vladimir A.","Mechanochemistry for the synthesis of non-classical N-metalated palladium(ii) pincer complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03259C","","","0.71073","MoKα","","0.0522","0.0321","","","0.0596","0.066","","","","","","1.025","","","","has coordinates","270612","2021-11-12","00:06:53",""
"7708806","14.3859","0.0007","9.6988","0.0004","14.1556","0.0006","90","","112.584","0.002","90","","1823.62","0.14","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl3 N3 O2 Pd S -","- C13 H18 Cl3 N3 O2 Pd S -","- C52 H72 Cl12 N12 O8 Pd4 S4 -","4","1","","Aleksanyan, Diana V.; Churusova, Svetlana G.; Brunova, Valentina V.; Peregudov, Alexander S.; Shakhov, Aleksander M.; Rybalkina, Ekaterina Yu.; Klemenkova, Zinaida S.; Kononova, Elena G.; Denisov, Gleb L.; Kozlov, Vladimir A.","Mechanochemistry for the synthesis of non-classical N-metalated palladium(ii) pincer complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03259C","","","0.71073","MoKα","","0.0555","0.041","","","0.0988","0.1092","","","","","","1.062","","","","has coordinates","270612","2021-11-12","00:06:53",""
"7708807","9.1078","0.001","9.9172","0.0011","14.3625","0.0016","109.013","0.002","98.691","0.002","95.893","0.002","1196.3","0.2","120","2","120.15","","","","","","","","","8","P -1","-P 1","2","","","","- C24 H22 Cl N2 O2 P Pd S2 -","- C24 H22 Cl N2 O2 P Pd S2 -","- C48 H44 Cl2 N4 O4 P2 Pd2 S4 -","2","1","","Aleksanyan, Diana V.; Churusova, Svetlana G.; Brunova, Valentina V.; Peregudov, Alexander S.; Shakhov, Aleksander M.; Rybalkina, Ekaterina Yu.; Klemenkova, Zinaida S.; Kononova, Elena G.; Denisov, Gleb L.; Kozlov, Vladimir A.","Mechanochemistry for the synthesis of non-classical N-metalated palladium(ii) pincer complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03259C","","","0.71073","MoKα","","0.0343","0.0284","","","0.0658","0.0687","","","","","","1.031","","","","has coordinates","270612","2021-11-12","00:06:53",""
"7708808","9.6998","0.0004","7.6212","0.0004","15.3208","0.0006","90","","104.921","0.002","90","","1094.39","0.09","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl N7 Zn -","- C9 H6 Cl N7 Zn -","- C36 H24 Cl4 N28 Zn4 -","4","1","","Sun, Hanxu; Zhou, Jie; Zhang, Zhen; He, Mei; He, Liancheng; Du, Lin; Xie, Mingjin; Zhao, Qi-Hua","Anion-controlled Zn(II) Coordination Polymers with 1-(tetrazo-5-yl)-3-(triazo-1-yl) benzene as an Assembling Ligand: Synthesis, Characterization, and Efficient Detection of Tryptophan in Water","Dalton Transactions","2021","","","","","10.1039/D1DT03045K","","","0.71073","MoKα","","0.0408","0.0283","","","0.0556","0.0613","","","","","","1.036","","","","has coordinates","270627","2021-11-12","23:54:18",""
"7708809","15.4732","0.0004","7.4234","0.0002","19.6348","0.0005","90","","107.759","0.001","90","","2147.86","0.1","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6.5 N7.5 O2 Zn -","- C9 H6.5 N7.5 O2 Zn -","- C72 H52 N60 O16 Zn8 -","8","1","","Sun, Hanxu; Zhou, Jie; Zhang, Zhen; He, Mei; He, Liancheng; Du, Lin; Xie, Mingjin; Zhao, Qi-Hua","Anion-controlled Zn(II) Coordination Polymers with 1-(tetrazo-5-yl)-3-(triazo-1-yl) benzene as an Assembling Ligand: Synthesis, Characterization, and Efficient Detection of Tryptophan in Water","Dalton Transactions","2021","","","","","10.1039/D1DT03045K","","","0.71073","MoKα","","0.028","0.0232","","","0.0536","0.0564","","","","","","1.074","","","","has coordinates","270627","2021-11-12","23:54:19",""
"7708810","20.6464","0.0013","12.2863","0.0008","18.6507","0.0012","90","","90","","90","","4731.1","0.5","233","","233","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C33 H50 F11 Fe2 N3 P2 S2 -","- C33 H50 F11 Fe2 N3 P2 S2 -","- C132 H200 F44 Fe8 N12 P8 S8 -","4","0.5","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.058","0.0513","","","0.1334","0.1412","","","","","","1.026","","","","has coordinates","270628","2021-11-12","23:56:02",""
"7708811","10.479","0.003","19.104","0.005","17.747","0.005","90","","105.836","0.006","90","","3417.9","1.6","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 F10 Fe2 N2 P2 S2 -","- C26 H40 F10 Fe2 N2 P2 S2 -","- C104 H160 F40 Fe8 N8 P8 S8 -","4","0.5","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.0586","0.0445","","","0.1092","0.1195","","","","","","1.04","","","","has coordinates,has disorder","270628","2021-11-12","23:56:02",""
"7708812","9.197","0.003","16.209","0.004","10.954","0.003","90","","90.286","0.004","90","","1632.9","0.8","300","2","300.13","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C27 H43 F6 Fe2 N2 P S2 -","- C27 H43 F6 Fe2 N2 P S2 -","- C54 H86 F12 Fe4 N4 P2 S4 -","2","0.5","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.0368","0.0312","","","0.0728","0.0767","","","","","","1.126","","","","has coordinates,has disorder","270628","2021-11-12","23:56:02",""
"7708813","10.1726","0.0006","11.9179","0.0007","18.683","0.0011","97.217","0.001","97.823","0.001","103.604","0.001","2151.6","0.2","173","","173","","","","","","","","","8","P 1","P 1","1","","","","- C88 H110 B2 F10 Fe4 N4 P2 S4 -","- C88 H110 B2 F10 Fe4 N4 P2 S4 -","- C88 H110 B2 F10 Fe4 N4 P2 S4 -","1","1","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.0773","0.0498","","","0.0841","0.0914","","","","","","1.017","","","","has coordinates","270628","2021-11-12","23:56:03",""
"7708814","17.0907","0.001","15.7948","0.0009","32.7765","0.0018","90","","90","","90","","8847.8","0.9","173","","173","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C29 H48 F11 Fe2 N2 P2 S2 Si -","- C29 H49 F11 Fe2 N2 P2 S2 Si -","- C232 H392 F88 Fe16 N16 P16 S16 Si8 -","8","1","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.1156","0.0684","","","0.1579","0.183","","","","","","1.024","","","","has coordinates,has disorder","270628","2021-11-12","23:56:03",""
"7708815","10.691","0.0008","14.4262","0.0011","17.5493","0.0013","90","","94.318","0.001","90","","2699","0.4","300.16","","300.16","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Fe2 N2 S2 -","- C26 H39.68 Fe2 N2 S2 -","- C104 H158.72 Fe8 N8 S8 -","4","1","","Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping","Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere","Dalton Transactions","2021","","","","","10.1039/D1DT03482K","","","0.71073","MoKα","","0.0651","0.0393","","","0.0869","0.097","","","","","","1.017","","","","has coordinates,has disorder","270628","2021-11-12","23:56:03",""
"7708816","13.9949","0.001","11.5388","0.0005","15.5543","0.0008","90","","106.06","0.007","90","","2413.7","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H23 Cl Fe N2 O3 S -","- C23.5 H23 Cl Fe N2 O3 S -","- C94 H92 Cl4 Fe4 N8 O12 S4 -","4","1","","Wieczorek, Anna; Kowalczyk, Karolina; Blauz, Andrzej; Makal, Anna; Pawlędzio, Sylwia; Eurtivong, Chatchakorn; Arabshahi, John; Reynisson, Johannes; Hartinger, Christian; Rychlik, Blazej; Plazuk, Damian","Impact Of The Ferrocenyl Group On Cytotoxicity And KSP Inhibitory Activity Of Ferrocenyl Monastrol Conjugates","Dalton Transactions","2021","","","","","10.1039/D1DT03553C","","","0.71073","MoKα","","0.0843","0.0639","","","0.1478","0.1584","","","","","","1.082","","","","has coordinates,has disorder","270629","2021-11-12","23:57:20",""
"7708817","18.7579","0.0002","7.28947","0.00008","24.6904","0.0003","90","","97.4762","0.0011","90","","3347.35","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Fe N2 O2 S -","- C18 H20 Fe N2 O2 S -","- C144 H160 Fe8 N16 O16 S8 -","8","1","","Wieczorek, Anna; Kowalczyk, Karolina; Blauz, Andrzej; Makal, Anna; Pawlędzio, Sylwia; Eurtivong, Chatchakorn; Arabshahi, John; Reynisson, Johannes; Hartinger, Christian; Rychlik, Blazej; Plazuk, Damian","Impact Of The Ferrocenyl Group On Cytotoxicity And KSP Inhibitory Activity Of Ferrocenyl Monastrol Conjugates","Dalton Transactions","2021","","","","","10.1039/D1DT03553C","","x-ray","1.54184","CuKα","","0.0286","0.0261","","","0.0608","0.0623","","","","","","1.04","","","","has coordinates,has disorder","270629","2021-11-12","23:57:21",""
"7708818","11.3825","0.0003","9.6565","0.0002","19.2412","0.0005","90","","103.695","0.002","90","","2054.77","0.09","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Be Br2 N4 O2 -","- C20 H16 Be Br2 N4 O2 -","- C80 H64 Be4 Br8 N16 O8 -","4","1","","Buchanan, Jenna; Severinsen, Rebecca; Buchner, Magnus Richard; Thomas-Hargreaves, Lewis; Spang, Nils; John, Kevin; Plieger, Paul","Quinolino[7,8-h]quinoline: A ‘Just Right’ Ligand for Beryllium(II) Coordination","Dalton Transactions","2021","","","","","10.1039/D1DT03367K","","x-ray","1.54186","CuKα","","0.0204","0.0192","","","0.0501","0.0509","","","","","","1.1","","","","has coordinates","270630","2021-11-12","23:57:48",""
"7708819","15.9598","0.0007","13.5924","0.0006","18.3198","0.0008","90","","102.314","0.003","90","","3882.7","0.3","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Rh(COE)[P2N2]Cu","","- C32 H56 Cu N2 P2 Rh Si4 -","- C32 H56 Cu N2 P2 Rh Si4 -","- C128 H224 Cu4 N8 P8 Rh4 Si16 -","4","1","","Xie, Siyuan L.; Sanz, Corey A.; Fryzuk, Michael D.","Heterobimetallic complexes stabilized by the P2N2 macrocyclic ligand system: synthesis and reactivity of a rhodium–copper system that activates molecular hydrogen","Dalton Transactions","2021","","","","","10.1039/D1DT03129E","","","1.54178","CuKα","","0.0651","0.045","","","0.1075","0.1171","","","","","","1.027","","","","has coordinates,has disorder","270668","2021-11-16","00:07:49",""
"7708820","33.949","0.003","13.5303","0.001","21.6795","0.0017","90","","128.415","0.001","90","","7802.6","1.1","273.15","","273.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","([P2N2H]Rh(H)(μ-H)2Cu)2","","- C62 H108 Cu2 N4 P4 Rh2 Si8 -","- C62 H108 Cu2 N4 P4 Rh2 Si8 -","- C248 H432 Cu8 N16 P16 Rh8 Si32 -","4","0.5","","Xie, Siyuan L.; Sanz, Corey A.; Fryzuk, Michael D.","Heterobimetallic complexes stabilized by the P2N2 macrocyclic ligand system: synthesis and reactivity of a rhodium–copper system that activates molecular hydrogen","Dalton Transactions","2021","","","","","10.1039/D1DT03129E","","","0.71073","MoKα","","0.0485","0.0306","","","0.0653","0.0723","","","","","","1.014","","","","has coordinates,has disorder","270668","2021-11-16","00:07:49",""
"7708821","20.865","0.002","18.0617","0.0019","14.9964","0.0015","90","","95.788","0.004","90","","5622.7","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NiDFP(IND)2(Benzo)","","","- C71 H39 Cl3 N4 Ni O8 -","- C71 H39 Cl3 N4 Ni O8 -","- C284 H156 Cl12 N16 Ni4 O32 -","4","1","","Kumar, Sandeep; Chaudhri, Nivedita; Osterloh, W. Ryan; Kadish, Karl M.; Sankar, Muniappan","Nickel(ii) monobenzoporphyrins and chlorins: synthesis, electrochemistry and anion sensing properties","Dalton Transactions","2021","","","","","10.1039/D1DT03122H","","","0.71073","MoKα","","0.1125","0.0634","","","0.1785","0.2121","","","","","","1.004","","","","has coordinates","270669","2021-11-16","00:08:22",""
"7708822","17.4359","0.0006","16.6515","0.0006","24.209","0.0008","90","","90","","90","","7028.7","0.4","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","ImMe2-Ge(OtBu)2","","- C13 H26 Ge N2 O2 -","- C13 H26 Ge N2 O2 -","- C208 H416 Ge16 N32 O32 -","16","2","","Sinclair, Jocelyn; Medroa Del Pino, William; Aku-Dominguez, Kwami; Minami, Yohei; Kiran, Anagha; Ferguson, Michael J.; Yasuda, Makoto; Rivard, Eric","Access to metastable [GeH2]n materials via a molecular “bottom-up” approach","Dalton Transactions","2021","","","","","10.1039/D1DT02850B","","","1.54178","CuKα","","0.0541","0.0358","","","0.0869","0.0992","","","","","","1.031","","","","has coordinates","270670","2021-11-16","00:10:00",""
"7708823","8.8817","0.0005","10.4187","0.0006","18.1622","0.001","90","","90","","90","","1680.65","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","K[Ge(OtBu)3]","(Tri-tert-butoxygermyl)potassium","","- C12 H27 Ge K O3 -","- C12 H27 Ge K O3 -","- C48 H108 Ge4 K4 O12 -","4","1","","Sinclair, Jocelyn; Medroa Del Pino, William; Aku-Dominguez, Kwami; Minami, Yohei; Kiran, Anagha; Ferguson, Michael J.; Yasuda, Makoto; Rivard, Eric","Access to metastable [GeH2]n materials via a molecular “bottom-up” approach","Dalton Transactions","2021","","","","","10.1039/D1DT02850B","","","1.54178","CuKα","","0.0404","0.0342","","","0.0794","0.082","","","","","","1.008","","","","has coordinates,has disorder","270670","2021-11-16","00:10:01",""
"7708824","5.0269","0.0002","9.5081","0.0004","10.734","0.0005","101.058","0.001","95.038","0.001","104.95","0.001","481.35","0.04","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 O12 P2 U -","- C16 H16 O12 P2 U -","- C16 H16 O12 P2 U -","1","0.5","","Wen, Ge-Hua; Chen, Xiu-Mei; Xu, Kui; Xie, Xiaoji; Bao, Song-Song; Zheng, Li-Min","Uranyl phosphonates: crystalline materials and nanosheets for temperature sensing","Dalton Transactions","2021","","","","","10.1039/D1DT02977K","","","1.34139","GaKα","","0.0221","0.0221","","","0.0556","0.0556","","","","","","1.092","","","","has coordinates","270671","2021-11-16","00:10:44",""
"7708825","18.24","0.004","7.015","0.002","20.013","0.004","90","0.03","112.44","0.03","90","0.03","2366.8","1.1","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O15 P2 U2 -","- C16 H16 O15 P2 U2 -","- C64 H64 O60 P8 U8 -","4","1","","Wen, Ge-Hua; Chen, Xiu-Mei; Xu, Kui; Xie, Xiaoji; Bao, Song-Song; Zheng, Li-Min","Uranyl phosphonates: crystalline materials and nanosheets for temperature sensing","Dalton Transactions","2021","","","","","10.1039/D1DT02977K","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","270671","2021-11-16","00:10:44",""
"7708826","23.5009","0.0005","5.8807","0.0001","28.0066","0.0006","90","","106.128","0.001","90","","3718.23","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 N2 O4 Pd -","- C39 H56 N2 O4 Pd -","- C156 H224 N8 O16 Pd4 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.0229","0.0217","","","0.0567","0.0576","","","","","","1.05","","","","has coordinates","270672","2021-11-16","00:13:31",""
"7708827","27.3384","0.0007","9.7533","0.0002","31.2674","0.0008","90","","96.143","0.001","90","","8289.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H69.5 N2 O4 Pd -","- C41 H69.5 N2 O4 Pd -","- C328 H556 N16 O32 Pd8 -","8","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","1.54178","CuKα","","0.0316","0.0271","","","0.0639","0.0664","","","","","","1.039","","","","has coordinates,has disorder","270672","2021-11-16","00:13:32",""
"7708828","10.4115","0.0002","11.7529","0.0002","31.8349","0.0005","90","","90","","90","","3895.49","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O4 -","- C41 H59 N O4 -","- C164 H236 N4 O16 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","1.54178","CuKα","","0.0583","0.0567","","","0.1615","0.1632","","","","","","1.087","","","","has coordinates,has disorder","270672","2021-11-16","00:13:32",""
"7708829","9.0824","0.0001","11.7694","0.0002","31.5208","0.0005","90","","90","","90","","3369.4","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N O4 -","- C35 H55 N O4 -","- C140 H220 N4 O16 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.0265","0.0262","","","0.0693","0.0696","","","","","","1.036","","","","has coordinates","270672","2021-11-16","00:13:33",""
"7708830","10.5479","0.0002","14.5535","0.0003","15.4442","0.0003","70.361","0.001","70.507","0.001","76.56","0.001","2085.52","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N O4 -","- C23 H31 N O4 -","- C92 H124 N4 O16 -","4","2","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","1.54184","CuKα","","0.0716","0.0494","","","0.1295","0.1405","","","","","","1.078","","","","has coordinates","270672","2021-11-16","00:13:33",""
"7708831","14.3845","0.0004","16.8171","0.0004","11.7263","0.0003","90","","99.965","0.001","90","","2793.86","0.13","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 Cl2 N O4 -","- C30 H37 Cl2 N O4 -","- C120 H148 Cl8 N4 O16 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","1.54178","CuKα","","0.0814","0.0631","","","0.1566","0.1719","","","","","","1.046","","","","has coordinates","270672","2021-11-16","00:13:33",""
"7708832","13.3749","0.0003","10.4918","0.0002","16.3394","0.0003","90","","112.578","0.001","90","","2117.13","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H62 N2 O4 Pd -","- C46 H62 N2 O4 Pd -","- C92 H124 N4 O8 Pd2 -","2","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.018","0.0179","","","0.0444","0.0444","","","","","","1.035","","","","has coordinates","270672","2021-11-16","00:13:33",""
"7708833","22.1011","0.0003","12.1705","0.0002","17.0857","0.0003","90","","92.134","0.001","90","","4592.55","0.13","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 Cl2 N O4 -","- C23 H31 Cl2 N O4 -","- C184 H248 Cl16 N8 O32 -","8","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","0.71073","MoKα","","0.0493","0.0417","","","0.1168","0.1237","","","","","","1.045","","","","has coordinates,has disorder","270672","2021-11-16","00:13:33",""
"7708834","18.1718","0.0008","11.3807","0.0004","20.0056","0.0007","90","","90","","90","","4137.3","0.3","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H61 N3 O4 Pd -","- C42 H61 N3 O4 Pd -","- C168 H244 N12 O16 Pd4 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.0201","0.0199","","","0.0515","0.0516","","","","","","1.054","","","","has coordinates,has disorder","270672","2021-11-16","00:13:33",""
"7708835","10.889","0.0002","11.7145","0.0003","15.3877","0.0003","103.183","0.001","104.344","0.001","99.506","0.001","1799.7","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C36.66 H59.32 N2 O4 Pd -","- C36.66 H59.32 N2 O4 Pd -","- C73.32 H118.64 N4 O8 Pd2 -","2","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","1.54178","CuKα","","0.0483","0.0429","","","0.087","0.09","","","","","","1.058","","","","has coordinates,has disorder","270672","2021-11-16","00:13:33",""
"7708836","9.9356","0.0004","26.4605","0.0011","15.5658","0.0006","90","","105.042","0.001","90","","3952","0.3","100","","100","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C40 H66 N2 O4 Pd -","- C40 H66 N2 O4 Pd -","- C160 H264 N8 O16 Pd4 -","4","2","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","0.71073","MoKα","","0.0314","0.0293","","","0.0646","0.0656","","","","","","1.058","","","","has coordinates,has disorder","270672","2021-11-16","00:13:34",""
"7708837","14.4965","0.0002","19.9546","0.0003","12.0794","0.0002","90","","103.866","0.0008","90","","3392.41","0.09","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H54 Cl N O4 -","- C34 H53 N O4 -","- C136 H212 N4 O16 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.0477","0.0415","","","0.1016","0.1065","","","","","","1.052","","","","has coordinates,has disorder","270672","2021-11-16","00:13:34",""
"7708838","21.9177","0.0011","14.1062","0.0007","33.8098","0.0019","90","","100.968","0.002","90","","10262.2","0.9","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","([(Tp*Me)Fe(CN)3CoCl2]2Co(DMF)4).4.5DMF","","- C135 H215 B4 Cl8 Co6 Fe4 N53 O17 -","- C135 H215 B4 Cl8 Co6 Fe4 N53 O17 -","- C270 H430 B8 Cl16 Co12 Fe8 N106 O34 -","2","0.25","","Cheng, Yue; Liu, Qi; Chen, Zi-Yi; Zhang, Yuan-Zhu","A cyanide-bridged Fe-Co pearl-chain-like single-chain magnet containing 4-coordinate cobalt(II) ions","Dalton Transactions","2021","","","","","10.1039/D1DT02844H","","","0.71073","MoKα","","0.1252","0.1131","","","0.2952","0.3025","","","","","","1.205","","","","has coordinates,has disorder","270673","2021-11-16","00:15:10",""
"7708839","11.5345","0.0006","13.2546","0.0007","13.4018","0.0007","115.446","0.002","108.234","0.002","98.006","0.002","1665.37","0.16","100","2","99.98","","","","","","","","","8","P -1","-P 1","2","","([(Tp4-Me)Fe(CN)3CoCl2]2Co(DMF)4).1DMF","","- C45 H67 B2 Cl4 Co3 Fe2 N23 O5 -","- C45 H67 B2 Cl4 Co3 Fe2 N23 O5 -","- C45 H67 B2 Cl4 Co3 Fe2 N23 O5 -","1","0.5","","Cheng, Yue; Liu, Qi; Chen, Zi-Yi; Zhang, Yuan-Zhu","A cyanide-bridged Fe-Co pearl-chain-like single-chain magnet containing 4-coordinate cobalt(II) ions","Dalton Transactions","2021","","","","","10.1039/D1DT02844H","","","0.71073","MoKα","","0.0867","0.0854","","","0.2045","0.2051","","","","","","1.051","","","","has coordinates,has disorder","270673","2021-11-16","00:15:10",""
"7708840","24.5391","0.001","15.407","0.0009","26.8983","0.0009","90","","113.341","0.005","90","","9337.3","0.8","99.99","0.1","99.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H66 Lu2 O24 S15 -","- C32 H12 Lu2 O16 S7 -","- C128 H48 Lu8 O64 S28 -","4","0.5","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","1.54184","CuKα","","0.0937","0.081","","","0.2462","0.2558","","","","","","1.095","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708841","14.9644","0.0003","28.2692","0.0005","17.0535","0.0004","90","","115.487","0.003","90","","6512.1","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 O50 S19 Yb6 -","- C72 H36 O42 S15 Yb6 -","- C144 H72 O84 S30 Yb12 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0463","0.0445","","","0.1033","0.1043","","","","","","1.03","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708842","15.0482","0.0004","28.3988","0.0005","17.05","0.0005","90","","115.635","0.003","90","","6569.1","0.3","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 Er6 O50 S19 -","- C72 H35 Er6 O42 S15 -","- C144 H70 Er12 O84 S30 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0556","0.0525","","","0.1283","0.1308","","","","","","1.045","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708843","14.9505","0.0004","28.1937","0.0006","17.1041","0.0006","90","","115.237","0.003","90","","6521.4","0.4","100.01","0.1","100.01","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 Lu6 O50 S19 -","- C72 H36 Lu6 O42 S15 -","- C144 H72 Lu12 O84 S30 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0286","0.026","","","0.0719","0.0731","","","","","","1.045","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708844","15","0.0008","28.3529","0.001","17.0305","0.0009","90","","115.549","0.006","90","","6534.7","0.6","99.99","0.1","99.99","0.1","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C80 H78 O50 S19 Tm6 -","- C72 H36 O42 S15 Tm6 -","- C144 H72 O84 S30 Tm12 -","2","0.25","","Xie, Feng-Yang; Yang, Qi; Wang, Jia-Si; Yu, Hong-Yi; Li, Yue; Ruan, Wen-Juan","Benzotrithiophene-based MOFs: interchromophoric interactions affected Ln(iii) crystallization selectivity and optoelectronic properties","Dalton Transactions","2021","","","","","10.1039/D1DT02515E","","x-ray","0.71073","MoKα","","0.0519","0.0465","","","0.1199","0.1244","","","","","","1.047","","","","has coordinates,has disorder","270703","2021-11-17","00:04:38",""
"7708845","13.928","0.005","12.57","0.004","11.1","0.004","90","","92.932","0.006","90","","1940.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl Pb S -","- C20 H19 Cl Pb S -","- C80 H76 Cl4 Pb4 S4 -","4","1","","Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.","Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16084","16091","10.1039/d1dt02781f","","","0.71073","MoKα","","0.0932","0.0443","","","0.0833","0.099","","","","","","0.977","","","","has coordinates","270704","2021-11-17","00:07:31",""
"7708846","9.472","0.007","10.068","0.007","15.829","0.012","92.338","0.013","92.354","0.013","103.584","0.012","1464.1","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cl2 O Pb -","- C14 H14 Cl2 O Pb -","- C56 H56 Cl8 O4 Pb4 -","4","2","","Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.","Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16084","16091","10.1039/d1dt02781f","","","0.71073","MoKα","","0.0899","0.0497","","","0.087","0.1077","","","","","","1.019","","","","has coordinates","270704","2021-11-17","00:07:31",""
"7708847","11.8658","0.0005","11.9078","0.0005","12.7241","0.0005","90","","90","","90","","1797.86","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl O Pb -","- C20 H19 Cl O Pb -","- C80 H76 Cl4 O4 Pb4 -","4","1","","Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.","Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16084","16091","10.1039/d1dt02781f","","","0.71073","MoKα","","0.0234","0.0209","","","0.0396","0.0401","","","","","","0.997","","","","has coordinates","270704","2021-11-17","00:07:32",""
"7708848","10.423","0.0009","12.2886","0.001","17.8414","0.0015","97.222","0.001","95.635","0.001","100.889","0.002","2208.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Pb S -","- C26 H24 Pb S -","- C104 H96 Pb4 S4 -","4","2","","Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.","Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16084","16091","10.1039/d1dt02781f","","","0.71073","MoKα","","0.0739","0.0472","","","0.0922","0.1088","","","","","","1.019","","","","has coordinates","270704","2021-11-17","00:07:32",""
"7708849","10.2042","0.0002","12.4317","0.0003","17.7441","0.0004","101.487","0.001","95.007","0.001","102.117","0.001","2137.05","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 O Pb -","- C26 H24 O Pb -","- C104 H96 O4 Pb4 -","4","2","","Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.","Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16084","16091","10.1039/d1dt02781f","","","0.71073","MoKα","","0.0565","0.0303","","","0.0563","0.068","","","","","","1.04","","","","has coordinates,has disorder","270704","2021-11-17","00:07:32",""
"7708850","13.572","0.003","28.859","0.005","17.651","0.003","90","","99.767","0.005","90","","6813","2","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H94 Fe2 Ga2 O6 -","- C75 H94 Fe2 Ga2 O6 -","- C300 H376 Fe8 Ga8 O24 -","4","1","","Muraoka, Takako; Siti, Nursaliha; Ueno, Keiji","C-O and C-C bond cleavage of α,β-unsaturated esters with the assistance of a gallane(pyridyl)iron complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","15996","16002","10.1039/d1dt03286k","","","0.71073","MoKα","","0.051","0.0368","","","0.0975","0.1024","","","","","","1.034","","","","has coordinates","270705","2021-11-17","00:08:18",""
"7708851","12.1119","0.0007","20.3951","0.0013","12.8713","0.0008","90","","116.512","0.003","90","","2845.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 N2 P2 Sn -","- C26 H46 N2 P2 Sn -","- C104 H184 N8 P8 Sn4 -","4","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; García-Soriano, Rubén; Laglera-Gándara, Carlos J; Toral, Rubén","Stannylenes based on pyrrole-phosphane and dipyrromethane-diphosphane scaffolds: syntheses and behavior as precursors to PSnP pincer palladium(II), palladium(0) and gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16122","16132","10.1039/d1dt02967c","","","0.71069","MoKα","","0.0245","0.0189","","","0.0425","0.0444","","","","","","1.036","","","","has coordinates","270706","2021-11-17","00:12:02",""
"7708852","10.5334","0.0009","16.7794","0.0015","54.962","0.005","90","","90","","90","","9714.2","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H78 N4 P2 Si4 Sn2 -","- C37 H78 N4 P2 Si4 Sn2 -","- C296 H624 N32 P16 Si32 Sn16 -","8","2","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; García-Soriano, Rubén; Laglera-Gándara, Carlos J; Toral, Rubén","Stannylenes based on pyrrole-phosphane and dipyrromethane-diphosphane scaffolds: syntheses and behavior as precursors to PSnP pincer palladium(II), palladium(0) and gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16122","16132","10.1039/d1dt02967c","","","0.71073","MoKα","","0.1188","0.0935","","","0.2245","0.243","","","","","","1.06","","","","has coordinates","270706","2021-11-17","00:12:03",""
"7708853","11.2189","0.0007","11.5079","0.0006","12.9008","0.0005","73.449","0.004","75.271","0.004","82.184","0.004","1540.46","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H46 Cl2 N2 P2 Pd Sn -","- C26 H46 Cl2 N2 P2 Pd Sn -","- C52 H92 Cl4 N4 P4 Pd2 Sn2 -","2","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; García-Soriano, Rubén; Laglera-Gándara, Carlos J; Toral, Rubén","Stannylenes based on pyrrole-phosphane and dipyrromethane-diphosphane scaffolds: syntheses and behavior as precursors to PSnP pincer palladium(II), palladium(0) and gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16122","16132","10.1039/d1dt02967c","","","1.5418","CuKα","","0.038","0.0323","","","0.0796","0.0827","","","","","","1.088","","","","has coordinates","270706","2021-11-17","00:12:03",""
"7708854","8.5817","0.0001","18.7476","0.0001","16.6005","0.0001","90","","102.959","0.001","90","","2602.77","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 P2 Sn -","- C25 H42 N2 P2 Sn -","- C100 H168 N8 P8 Sn4 -","4","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; García-Soriano, Rubén; Laglera-Gándara, Carlos J; Toral, Rubén","Stannylenes based on pyrrole-phosphane and dipyrromethane-diphosphane scaffolds: syntheses and behavior as precursors to PSnP pincer palladium(II), palladium(0) and gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16122","16132","10.1039/d1dt02967c","","","1.5418","CuKα","","0.0276","0.0252","","","0.0612","0.063","","","","","","1.053","","","","has coordinates","270706","2021-11-17","00:12:03",""
"7708855","10.7876","0.0004","12.456","0.0005","13.68","0.0003","101.654","0.003","108.54","0.003","103.841","0.003","1613.14","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H42 Cl2 D3 N2 P2 Pd Sn -","- C28 H42 Cl2 D3 N2 P2 Pd Sn -","- C56 H84 Cl4 D6 N4 P4 Pd2 Sn2 -","2","1","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; García-Soriano, Rubén; Laglera-Gándara, Carlos J; Toral, Rubén","Stannylenes based on pyrrole-phosphane and dipyrromethane-diphosphane scaffolds: syntheses and behavior as precursors to PSnP pincer palladium(II), palladium(0) and gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16122","16132","10.1039/d1dt02967c","","","1.54184","CuKα","","0.0315","0.0295","","","0.0819","0.0844","","","","","","1","","","","has coordinates","270706","2021-11-17","00:12:03",""
"7708856","8.49904","0.00014","15.8315","0.0003","16.3349","0.0004","90","","90","","90","","2197.9","0.08","100.2","0.8","100.2","0.8","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 F8 Ge O6 P2 S2 -","- C12 H16 F8 Ge O6 P2 S2 -","- C48 H64 F32 Ge4 O24 P8 S8 -","4","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0685","0.0612","","","0.1425","0.1455","","","","","","1.131","","","","has coordinates","270707","2021-11-17","00:15:43",""
"7708857","10.2278","0.00019","12.3841","0.0002","12.2598","0.0002","90","","94.8064","0.0016","90","","1547.39","0.05","100","0.1","100","0.1","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C28 H26 Cl2 F6 Ge O3 P2 S -","- C28 H26 Cl2 F6 Ge O3 P2 S -","- C56 H52 Cl4 F12 Ge2 O6 P4 S2 -","2","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0492","0.0393","","","0.0649","0.0688","","","","","","1.015","","","","has coordinates","270707","2021-11-17","00:15:45",""
"7708858","13.9614","0.0002","12.904","0.0002","21.6728","0.0003","90","","96.862","0.001","90","","3876.56","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H41 Cl2 F4 Ge P3 -","- C42 H41 Cl2 F4 Ge P3 -","- C168 H164 Cl8 F16 Ge4 P12 -","4","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.055","0.0391","","","0.0763","0.0805","","","","","","1.029","","","","has coordinates","270707","2021-11-17","00:15:45",""
"7708859","6.1467","0.0002","10.1678","0.0004","9.5754","0.0003","90","","91.21","0.003","90","","598.31","0.04","100","0.14","100","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 F4 Ge P2 -","- C6 H18 F4 Ge P2 -","- C12 H36 F8 Ge2 P4 -","2","0.5","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0369","0.0304","","","0.0686","0.0736","","","","","","1.0364","","","","has coordinates","270707","2021-11-17","00:15:45",""
"7708860","9.6136","0.0003","9.749","0.0004","15.221","0.0005","104.887","0.003","101.44","0.003","97.269","0.003","1327.35","0.09","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C14 H30 As2 Cl2 F6 Ge O6 S2 -","- C14 H30 As2 Cl2 F6 Ge O6 S2 -","- C28 H60 As4 Cl4 F12 Ge2 O12 S4 -","2","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0593","0.042","","","0.0809","0.0882","","","","","","1.029","","","","has coordinates","270707","2021-11-17","00:15:46",""
"7708861","17.7401","0.0002","9.0881","0.0001","33.673","0.0003","90","","100.215","0.001","90","","5342.84","0.1","100.1","0.4","100.1","0.4","","","","","","","","8","I 1 2 1","I 2y","5","","","","- C52.6 H65.2 Cl1.2 F40 Ge4 O36 P8 S12 -","- C52.6 H65.2 Cl1.2 F40 Ge4 O36 P8 S12 -","- C105.2 H130.4 Cl2.4 F80 Ge8 O72 P16 S24 -","2","0.5","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0377","0.0321","","","0.0657","0.0681","","","","","","1.037","","","","has coordinates","270707","2021-11-17","00:15:46",""
"7708862","11.3324","0.0001","11.7241","0.0001","23.5687","0.0003","90","","90","","90","","3131.39","0.06","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H18 F6 Ge O3 P2 S -","- C7 H18 F6 Ge O3 P2 S -","- C56 H144 F48 Ge8 O24 P16 S8 -","8","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0265","0.0207","","","0.0486","0.0502","","","","","","1.06","","","","has coordinates","270707","2021-11-17","00:15:46",""
"7708863","9.3701","0.0003","15.5931","0.0006","21.5703","0.0007","93.05","0.003","94.382","0.003","91.974","0.003","3135.6","0.19","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H54 F24 Ge3 O18 P6 S6 -","- C24 H54 F24 Ge3 O18 P6 S6 -","- C48 H108 F48 Ge6 O36 P12 S12 -","2","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.1134","0.0709","","","0.1898","0.2168","","","","","","1.0256","","","","has coordinates,has disorder","270707","2021-11-17","00:15:46",""
"7708864","8.5322","0.0002","12.5345","0.0004","12.6057","0.0004","64.833","0.003","70.313","0.003","71.23","0.003","1123.35","0.07","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C12.333 H16.667 Cl0.667 F6 Ge O6 P2 S2 -","- C12.3333 H16.6667 Cl0.666665 F6 Ge O6 P2 S2 -","- C24.6667 H33.3333 Cl1.33333 F12 Ge2 O12 P4 S4 -","2","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0486","0.038","","","0.0842","0.0879","","","","","","1.035","","","","has coordinates,has disorder","270707","2021-11-17","00:15:46",""
"7708865","11.5994","0.0002","20.72","0.0004","14.752","0.0002","90","","90","","90","","3545.49","0.1","99.9","0.3","99.9","0.3","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C29 H26.6 Cl2.6 F7.4 Ge O5.1 P2 S1.7 -","- C29 H26.6 Cl2.6 F7.4 Ge O5.1 P2 S1.7 -","- C116 H106.4 Cl10.4 F29.6 Ge4 O20.4 P8 S6.8 -","4","0.5","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0618","0.0483","","","0.1001","0.1046","","","","","","1.163","","","","has coordinates,has disorder","270707","2021-11-17","00:15:46",""
"7708866","9.6585","0.0004","13.177","0.0008","13.4502","0.0006","109.003","0.005","90.77","0.004","110.333","0.004","1502.12","0.15","139","","139","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H32 La N3 O9 -","- C29 H32 La N3 O9 -","- C58 H64 La2 N6 O18 -","2","1","","Yao, Qing-Xia; Tian, Miaomiao; Zheng, Jun; Xue, Jintang; Pan, Xuze; Zhou, Dandan; Li, Yun-Wu; Duan, Wen-zeng; Su, Jie; Huang, Xianqiang","A series of microporous and robust Ln-MOFs showing luminescent properties and catalytic performances towards Knoevenagel reactions","Dalton Transactions","2021","","","","","10.1039/D1DT03188K","","","1.54178","CuKα","","0.0934","0.0857","","","0.2346","0.2453","","","","","","1.071","","","","has coordinates","270708","2021-11-17","00:17:28",""
"7708867","8.9166","0.0002","13.3917","0.0004","13.7454","0.0005","112.117","0.003","92.467","0.002","107.814","0.002","1424.16","0.09","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N3 O8 Tb -","- C29 H30 N3 O8 Tb -","- C58 H60 N6 O16 Tb2 -","2","1","","Yao, Qing-Xia; Tian, Miaomiao; Zheng, Jun; Xue, Jintang; Pan, Xuze; Zhou, Dandan; Li, Yun-Wu; Duan, Wen-zeng; Su, Jie; Huang, Xianqiang","A series of microporous and robust Ln-MOFs showing luminescent properties and catalytic performances towards Knoevenagel reactions","Dalton Transactions","2021","","","","","10.1039/D1DT03188K","","","0.71073","MoKα","","0.0532","0.0489","","","0.1191","0.1216","","","","","","1.169","","","","has coordinates,has disorder","270708","2021-11-17","00:17:29",""
"7708868","8.9015","0.0004","13.3596","0.0005","13.7307","0.0005","112.081","0.003","92.335","0.003","107.726","0.003","1418.81","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Eu N3 O8 -","- C29 H30 Eu N3 O8 -","- C58 H60 Eu2 N6 O16 -","2","1","","Yao, Qing-Xia; Tian, Miaomiao; Zheng, Jun; Xue, Jintang; Pan, Xuze; Zhou, Dandan; Li, Yun-Wu; Duan, Wen-zeng; Su, Jie; Huang, Xianqiang","A series of microporous and robust Ln-MOFs showing luminescent properties and catalytic performances towards Knoevenagel reactions","Dalton Transactions","2021","","","","","10.1039/D1DT03188K","","","0.71073","MoKα","","0.0544","0.0477","","","0.1096","0.1128","","","","","","1.092","","","","has coordinates,has disorder","270708","2021-11-17","00:17:29",""
"7708869","8.9119","0.0003","13.3816","0.0005","13.749","0.0005","112.08","0.003","92.371","0.003","107.734","0.003","1424.45","0.1","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N3 O8 Pr -","- C29 H30 N3 O8 Pr -","- C58 H60 N6 O16 Pr2 -","2","1","","Yao, Qing-Xia; Tian, Miaomiao; Zheng, Jun; Xue, Jintang; Pan, Xuze; Zhou, Dandan; Li, Yun-Wu; Duan, Wen-zeng; Su, Jie; Huang, Xianqiang","A series of microporous and robust Ln-MOFs showing luminescent properties and catalytic performances towards Knoevenagel reactions","Dalton Transactions","2021","","","","","10.1039/D1DT03188K","","","0.71073","MoKα","","0.0605","0.055","","","0.1336","0.1363","","","","","","1.156","","","","has coordinates,has disorder","270708","2021-11-17","00:17:29",""
"7708870","5.1927","0.0001","5.9081","0.0002","7.5358","0.0002","103.914","0.002","104.661","0.002","105.325","0.002","203.67","0.011","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- Cu H4 Na2 O8 Se2 -","- Cu H4 Na2 O8 Se2 -","- Cu H4 Na2 O8 Se2 -","1","0.5","","Huang, Xing; Zhao, Zhiying; Wang, Yanqi; Zhang, Mengsi; He, Zhangzhen","Synthesis, structure and magnetic properties of two new spin-chain compounds Ca2Ni(HSeO3)2(SeO3)2 and Na2Cu(SeO3)2·2H2O","Dalton Transactions","2021","","","","","10.1039/D1DT03058B","","x-ray","0.71073","MoKα","","0.021","0.0192","","","0.0428","0.0433","","","","","","1.11","","","","has coordinates","270752","2021-11-18","23:58:11",""
"7708871","5.2858","0.0002","7.0398","0.0002","8.418","0.0003","110.413","0.003","105.027","0.003","91.786","0.002","280.962","0.018","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- Ca2 H2 Ni O12 Se4 -","- Ca2 H2 Ni O12 Se4 -","- Ca2 H2 Ni O12 Se4 -","1","0.5","","Huang, Xing; Zhao, Zhiying; Wang, Yanqi; Zhang, Mengsi; He, Zhangzhen","Synthesis, structure and magnetic properties of two new spin-chain compounds Ca2Ni(HSeO3)2(SeO3)2 and Na2Cu(SeO3)2·2H2O","Dalton Transactions","2021","","","","","10.1039/D1DT03058B","","x-ray","0.71073","MoKα","","0.0281","0.0256","","","0.0636","0.065","","","","","","1.079","","","","has coordinates","270753","2021-11-18","23:58:36",""
"7708872","7.1406","0.0005","7.1406","0.0005","7.4646","0.0007","90","","90","","120","","329.61","0.04","293","2","293","2","","","","","","","","5","P 3 1 m","P 3 -2","157","","","","- I K O14 Rb U3 -","- I0.9998 K O14 Rb U3 -","- I0.9998 K O14 Rb U3 -","1","0.166667","","Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wilden, Andreas; Henkes, Maximilian; Schneider, Dimitri; Alekseev, Evgeny V.","Incorporation of iodine into uranium oxyhydroxide phases.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03237b","","","0.71073","MoKα","","0.0558","0.0447","","","0.0916","0.0968","","","","","","1.078","","","","has coordinates","270754","2021-11-18","23:59:01",""
"7708873","12.864","0.004","9.016","0.003","15.507","0.005","90","","95.242","0.004","90","","1791","1","143","2","143","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C40 H48 B2 F2 N4 O4 -","- C40 H48 B2 F2 N4 O4 -","- C80 H96 B4 F4 N8 O8 -","2","0.5","","Nakamura, Masashi; Gon, Masayuki; Natsuda, Shin-Ichiro; Tamai, Yasunari; Ohkita, Hideo; Tanaka, Kazuo; Chujo, Yoshiki","Development of NIR emissive fully-fused bisboron complexes with π-conjugated systems including multiple azo groups.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","74","84","10.1039/d1dt03652a","","","0.71075","MoKα","","0.0918","0.0618","","","0.1137","0.1268","","","","","","1.118","","","","has coordinates","272646","2022-02-04","19:30:27",""
"7708874","7.656","0.006","21.051","0.015","12.118","0.009","90","","96.077","0.011","90","","1942","3","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 B2 F2 N4 O4 -","- C44 H50 B2 F2 N4 O4 -","- C88 H100 B4 F4 N8 O8 -","2","0.5","","Nakamura, Masashi; Gon, Masayuki; Natsuda, Shin-Ichiro; Tamai, Yasunari; Ohkita, Hideo; Tanaka, Kazuo; Chujo, Yoshiki","Development of NIR emissive fully-fused bisboron complexes with π-conjugated systems including multiple azo groups.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","74","84","10.1039/d1dt03652a","","","0.71075","MoKα","","0.1594","0.0608","","","0.0809","0.0981","","","","","","0.905","","","","has coordinates,has disorder","272646","2022-02-04","19:30:28",""
"7708875","11.946","0.006","12.473","0.003","12.753","0.004","89.885","0.009","78.801","0.014","72.895","0.015","1778.5","1.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H32 Cl2 N3 O2 P Pt S -","- C40 H32 Cl2 N3 O2 P Pt S -","- C80 H64 Cl4 N6 O4 P2 Pt2 S2 -","2","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","","0.71073","MoKα","","0.0315","0.029","","","0.0754","0.0767","","","","","","1.041","","","","has coordinates","270756","2021-11-19","00:01:41",""
"7708876","8.8714","0.0002","27.0432","0.0004","15.3762","0.0003","90","","105.911","0.002","90","","3547.59","0.12","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39 H25 F3 N3 O P Pt S -","- C39 H25 F3 N3 O P Pt S -","- C156 H100 F12 N12 O4 P4 Pt4 S4 -","4","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","x-ray","1.54184","CuKα","","0.0518","0.0451","","","0.1145","0.1199","","","","","","1.069","","","","has coordinates","270756","2021-11-19","00:01:45",""
"7708877","38.3206","0.0009","7.5249","0.0002","23.665","0.0005","90","","109.508","0.002","90","","6432.3","0.3","291","2","291.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H29 N3 O1.5 P Pt S -","- C39 H29 N3 O1.5 P Pt S -","- C312 H232 N24 O12 P8 Pt8 S8 -","8","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","","1.54178","CuKα","","0.0413","0.0369","","","0.0956","0.0996","","","","","","1.082","","","","has coordinates","270756","2021-11-19","00:01:47",""
"7708878","14.02219","0.00007","13.1326","0.00006","21.37276","0.0001","90","","100.17","0.0004","90","","3873.91","0.03","150","0.1","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C41 H33 Cl3 N3 O3 P Pt S -","- C41 H33 Cl3 N3 O3 P Pt S -","- C164 H132 Cl12 N12 O12 P4 Pt4 S4 -","4","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0719","0.0725","","","","","","1.048","","","","has coordinates","270756","2021-11-19","00:01:50",""
"7708879","11.1632","0.0002","18.2105","0.0004","18.5907","0.0003","90","","103.612","0.002","90","","3673.1","0.12","291","2","291.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H31 N3 O2 P Pt S -","- C40 H32 N3 O2 P Pt S -","- C160 H128 N12 O8 P4 Pt4 S4 -","4","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","x-ray","1.54184","CuKα","","0.0483","0.0361","","","0.0904","0.0988","","","","","","1.031","","","","has coordinates","270756","2021-11-19","00:01:52",""
"7708880","12.6337","0.0002","13.0147","0.0002","22.8683","0.0004","90","","102.644","0.002","90","","3668.91","0.11","291","2","291.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H28.5 Cl1.5 N3 O2 P Pt S -","- C39.5 H28.5 Cl1.5 N3 O2 P Pt S -","- C158 H114 Cl6 N12 O8 P4 Pt4 S4 -","4","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","x-ray","1.54184","CuKα","","0.0422","0.0377","","","0.0972","0.1004","","","","","","1.118","","","","has coordinates","270756","2021-11-19","00:01:55",""
"7708881","11.3006","0.0001","13.7812","0.0001","23.3186","0.0002","90","","100.573","0.001","90","","3569.88","0.05","291","2","291.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 Cl3 N3 P Pt S -","- C39 H27 Cl3 N3 P Pt S -","- C156 H108 Cl12 N12 P4 Pt4 S4 -","4","1","","Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin","Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02720d","","x-ray","1.54184","CuKα","","0.0498","0.0439","","","0.1203","0.1262","","","","","","1.017","","","","has coordinates","270756","2021-11-19","00:01:57",""
"7708882","8.6071","0.0013","17.845","0.003","18.836","0.003","90","","90","","90","","2893.1","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl Dy N4 O4 -","- C30 H32 Cl Dy N4 O4 -","- C120 H128 Cl4 Dy4 N16 O16 -","4","1","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0162","0.0154","","","0.0368","0.0371","","","","","","1.142","","","","has coordinates","270757","2021-11-19","00:04:35",""
"7708883","20.971","0.002","9.7062","0.0011","15.6099","0.0017","90","","113.913","0.001","90","","2904.6","0.5","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Br Dy N4 O4 -","- C30 H32 Br Dy N4 O4 -","- C120 H128 Br4 Dy4 N16 O16 -","4","0.5","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0208","0.0182","","","0.0472","0.0486","","","","","","1.119","","","","has coordinates","270757","2021-11-19","00:04:38",""
"7708884","8.6618","0.0008","17.2729","0.0016","19.7054","0.0018","90","","90","","90","","2948.2","0.5","296.15","","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H32 Br Dy N4 O4 -","- C30 H32 Br Dy N4 O4 -","- C120 H128 Br4 Dy4 N16 O16 -","4","0.5","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0417","0.0292","","","0.0583","0.065","","","","","","1.174","","","","has coordinates","270757","2021-11-19","00:04:41",""
"7708885","21.062","0.002","9.5266","0.001","15.5658","0.0014","90","","114.012","0.004","90","","2853","0.5","300.01","","300.01","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cl Dy N4 O4 -","- C30 H32 Cl Dy N4 O4 -","- C120 H128 Cl4 Dy4 N16 O16 -","4","0.5","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0263","0.0232","","","0.047","0.0485","","","","","","1.057","","","","has coordinates","270757","2021-11-19","00:04:44",""
"7708886","8.6217","0.0012","17.052","0.002","19.783","0.003","90","","90","","90","","2908.4","0.7","296.15","","296.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H32 Cl Dy N4 O4 -","- C30 H32 Cl Dy N4 O4 -","- C120 H128 Cl4 Dy4 N16 O16 -","4","0.5","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0431","0.0279","","","0.0559","0.0641","","","","","","1.257","","","","has coordinates","270757","2021-11-19","00:04:47",""
"7708887","8.5766","0.0007","18.0373","0.0014","18.8912","0.0015","90","","90","","90","","2922.4","0.4","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Br Dy N4 O4 -","- C30 H32 Br Dy N4 O4 -","- C120 H128 Br4 Dy4 N16 O16 -","4","1","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0261","0.022","","","0.0463","0.0475","","","","","","1.073","","","","has coordinates","270757","2021-11-19","00:04:49",""
"7708888","7.9745","0.0007","9.8264","0.0009","11.1097","0.0009","82.131","0.007","84.825","0.007","66.446","0.007","789.91","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H22 N2 S4 Sn -","- C10 H22 N2 S4 Sn -","- C20 H44 N4 S8 Sn2 -","2","1","","Brune, Veronika; Raydan, Nidal; Sutorius, Anja; Hartl, Fabian; Purohit, Bhagyesh; Gahlot, Sweta; Bargiela, Pascal; Burel, Laurence; Wilhelm, Michael; Hegemann, Corinna; Atamtürk, Ufuk; Mathur, Sanjay; Mishra, Shashank","Single source precursor route to nanometric tin chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02964a","","","0.71073","MoKα","","0.0856","0.0484","","","0.1165","0.1438","","","","","","1.039","","","","has coordinates","270758","2021-11-19","00:05:50",""
"7708889","10.0673","0.0004","16.4622","0.0007","10.8207","0.0005","90","","98.65","0.003","90","","1772.92","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N2 S4 Sn -","- C12 H26 N2 S4 Sn -","- C48 H104 N8 S16 Sn4 -","4","1","","Brune, Veronika; Raydan, Nidal; Sutorius, Anja; Hartl, Fabian; Purohit, Bhagyesh; Gahlot, Sweta; Bargiela, Pascal; Burel, Laurence; Wilhelm, Michael; Hegemann, Corinna; Atamtürk, Ufuk; Mathur, Sanjay; Mishra, Shashank","Single source precursor route to nanometric tin chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02964a","","","0.71073","MoKα","","0.077","0.0374","","","0.0761","0.0881","","","","","","0.933","","","","has coordinates","270758","2021-11-19","00:05:53",""
"7708890","16.8805","0.0007","11.8026","0.0004","12.5545","0.0004","90","","90","","90","","2501.28","0.16","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H12 Cl3 N S2 Sn -","- C6 H12 Cl3 N S2 Sn -","- C48 H96 Cl24 N8 S16 Sn8 -","8","2","","Brune, Veronika; Raydan, Nidal; Sutorius, Anja; Hartl, Fabian; Purohit, Bhagyesh; Gahlot, Sweta; Bargiela, Pascal; Burel, Laurence; Wilhelm, Michael; Hegemann, Corinna; Atamtürk, Ufuk; Mathur, Sanjay; Mishra, Shashank","Single source precursor route to nanometric tin chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02964a","","","0.71073","MoKα","","0.082","0.0462","","","0.0945","0.1077","","","","","","0.995","","","","has coordinates","270758","2021-11-19","00:05:56",""
"7708891","14.032","0.0002","16.194","0.0003","25.7815","0.0004","90","","96.454","0.001","90","","5821.31","0.16","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H102 Cl4 Dy4 N18 O32 -","- C72 H102 Cl4 Dy4 N18 O32 -","- C144 H204 Cl8 Dy8 N36 O64 -","2","0.5","","Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Macrocycle Based Dinuclear Dysprosium(III) Single Molecule Magnets with Local D5h Coordination Geometry","Dalton Transactions","2021","","","","","10.1039/D1DT02815D","","","0.71073","MoKα","","0.0274","0.0235","","","0.0569","0.0584","","","","","","1.048","","","","has coordinates,has disorder","270764","2021-11-19","23:56:40",""
"7708892","8.9524","0.0003","11.7805","0.0005","15.8173","0.0006","90","","102.837","0.003","90","","1626.46","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cl4 Dy2 N10 -","- C26 H40 Cl4 Dy2 N10 -","- C52 H80 Cl8 Dy4 N20 -","2","0.5","","Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Macrocycle Based Dinuclear Dysprosium(III) Single Molecule Magnets with Local D5h Coordination Geometry","Dalton Transactions","2021","","","","","10.1039/D1DT02815D","","","0.71073","MoKα","","0.04","0.0293","","","0.0638","0.0668","","","","","","1.071","","","","has coordinates,has disorder","270764","2021-11-19","23:56:41",""
"7708893","8.9982","0.0003","11.6001","0.0003","14.8941","0.0005","90","","103.545","0.003","90","","1511.41","0.08","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl4 Dy2 N10 -","- C24 H36 Cl4 Dy2 N10 -","- C48 H72 Cl8 Dy4 N20 -","2","0.5","","Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Macrocycle Based Dinuclear Dysprosium(III) Single Molecule Magnets with Local D5h Coordination Geometry","Dalton Transactions","2021","","","","","10.1039/D1DT02815D","","","0.71073","MoKα","","0.0275","0.0248","","","0.0589","0.06","","","","","","1.115","","","","has coordinates","270764","2021-11-19","23:56:41",""
"7708894","8.7415","0.0004","9.1291","0.0004","12.9791","0.0005","79.287","0.003","73.578","0.003","87.499","0.004","976.15","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 Dy2 N14 O2 S4 -","- C30 H44 Dy2 N14 O2 S4 -","- C30 H44 Dy2 N14 O2 S4 -","1","0.5","","Wu, Jianfeng; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Macrocycle Based Dinuclear Dysprosium(III) Single Molecule Magnets with Local D5h Coordination Geometry","Dalton Transactions","2021","","","","","10.1039/D1DT02815D","","","0.71073","MoKα","","0.0282","0.0229","","","0.0537","0.0558","","","","","","1.118","","","","has coordinates","270764","2021-11-19","23:56:41",""
"7708895","16.7332","0.0003","6.476","0.0001","9.8022","0.0002","90","","93.1517","0.0009","90","","1060.6","0.03","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","Cu4MnGe2S7","tetracopper manganese digermanium heptasulfide","","- Cu4 Ge2 Mn S7 -","- Cu4 Ge2 Mn S7 -","- Cu16 Ge8 Mn4 S28 -","4","1","","Glenn, Jennifer R.; Cho, Jeong Bin; Wang, Yiqun; Craig, Andrew J.; Zhang, Jian-Han; Cribbs, Marvene; Stoyko, Stanislav S.; Rosello, Kate E.; Barton, Christopher; Bonnoni, Allyson; Grima-Gallardo, Pedro; MacNeil, Joseph H.; Rondinelli, James M.; Jang, Joon I.; Aitken, Jennifer A.","Cu4MnGe2S7 and Cu2MnGeS4: two polar thiogermanates exhibiting second harmonic generation in the infrared and structures derived from hexagonal diamond","Dalton Transactions","2021","","","","","10.1039/D1DT02535J","","","0.71073","MoKα","","0.0223","0.021","","","0.0521","0.0551","","","","","","1.068","","","","has coordinates","270765","2021-11-19","23:57:15",""
"7708896","22.322","0.006","18.903","0.005","27.501","0.007","90","","106.949","0.016","90","","11100","5","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C200 H270 Mn10 N8 O32 -","- C200 H244 Mn10 N8 O32 -","- C400 H488 Mn20 N16 O64 -","2","0.5","","Brechin, Euan K.; Wilson, Lucinda; Coletta, Marco; Jose, Reshma; Rajaraman, Gopalan; Dalgarno, Scott","Oxidation state variation in bis-calix[4]arene supported decametallic Mn clusters","Dalton Transactions","2021","","","","","10.1039/D1DT03410C","","","1.54178","CuKα","","0.162","0.1271","","","0.3615","0.395","","","","","","1.403","","","","has coordinates,has disorder","270766","2021-11-19","23:57:50",""
"7708897","13.3632","0.0002","22.3687","0.0003","23.784","0.0003","115.55","0.001","96.822","0.001","98.418","0.001","6211.89","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C157 H128 Cl6 Cu2 N4 -","- C157 H128 Cl6 Cu2 N4 -","- C314 H256 Cl12 Cu4 N8 -","2","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","x-ray","1.54184","CuKα","","0.0912","0.0751","","","0.1474","0.1564","","","","","","1.028","","","","has coordinates,has disorder","272660","2022-02-04","19:34:59",""
"7708898","10.6498","0.0004","16.3284","0.0004","18.4972","0.0006","88.395","0.002","74.166","0.003","89.909","0.003","3093.23","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C157 H122 Cl2 Cu2 F6 N4 -","- C157 H122 Cl2 Cu2 F6 N4 -","- C157 H122 Cl2 Cu2 F6 N4 -","1","0.5","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","x-ray","1.54184","CuKα","","0.0601","0.0497","","","0.1284","0.1372","","","","","","1.032","","","","has coordinates,has disorder","272660","2022-02-04","19:34:59",""
"7708899","26.9882","0.0003","11.02969","0.00012","41.6797","0.0004","90","","98.8594","0.0011","90","","12258.8","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C81 H69 Cu N2 -","- C81 H69 Cu N2 -","- C648 H552 Cu8 N16 -","8","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","","1.54184","CuKα","","0.0471","0.0402","","","0.1024","0.107","","","","","","1.041","","","","has coordinates","272660","2022-02-04","19:34:59",""
"7708900","16.1936","0.0002","24.2823","0.0002","18.3609","0.0002","90","","92.918","0.001","90","","7210.47","0.13","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H74 Cl4 Cu F5 N2 O2 -","- C84 H74 Cl4 Cu F5 N2 O2 -","- C336 H296 Cl16 Cu4 F20 N8 O8 -","4","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","x-ray","1.54184","CuKα","","0.1011","0.0724","","","0.1948","0.2181","","","","","","1.031","","","","has coordinates","272660","2022-02-04","19:34:59",""
"7708901","10.9457","0.0001","26.9367","0.0002","22.48","0.0002","90","","99.819","0.001","90","","6530.94","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83 H79 Cu N2 O5 S -","- C83 H79 Cu N2 O5 S -","- C332 H316 Cu4 N8 O20 S4 -","4","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","","1.54184","CuKα","","0.0741","0.063","","","0.1361","0.1411","","","","","","1.155","","","","has coordinates,has disorder","272660","2022-02-04","19:34:59",""
"7708902","22.5491","0.0002","12.66543","0.0001","25.2748","0.0003","90","","109.796","0.0013","90","","6791.77","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H65 Cl2 Cu N2 O -","- C79 H65 Cl2 Cu N2 O -","- C316 H260 Cl8 Cu4 N8 O4 -","4","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","","1.54184","CuKα","","0.0885","0.071","","","0.1992","0.2184","","","","","","1.036","","","","has coordinates,has disorder","272660","2022-02-04","19:34:59",""
"7708903","13.3492","0.0003","22.3222","0.0004","23.8523","0.0005","115.904","0.002","96.6271","0.0017","97.9268","0.0016","6208.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C157 H126 Cl6 Cu2 F2 N4 -","- C157 H126 Cl6 Cu2 F2 N4 -","- C314 H252 Cl12 Cu4 F4 N8 -","2","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","x-ray","1.54184","CuKα","","0.0873","0.0694","","","0.1909","0.2097","","","","","","1.03","","","","has coordinates,has disorder","272660","2022-02-04","19:34:59",""
"7708904","13.3712","0.0002","22.5974","0.0004","23.9427","0.0005","116.612","0.002","95.8999","0.0016","99.3117","0.0015","6255.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C157 H126 Cl8 Cu2 N4 -","- C157 H126 Cl8 Cu2 N4 -","- C314 H252 Cl16 Cu4 N8 -","2","1","","Ibni Hashim, Ishfaq; Scattolin, Thomas; Tzouras, Nikolaos V.; Bourda, Laurens; Van Hecke, Kristof; Ritacco, Ida; Caporaso, Lucia; Cavallo, Luigi; Nolan, Steven P.; Cazin, Catherine S. J.","Straightforward synthesis of [Cu(NHC)(alkynyl)] and [Cu(NHC)(thiolato)] complexes (NHC = N-heterocyclic carbene).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","231","240","10.1039/d1dt03710b","","x-ray","1.54184","CuKα","","0.072","0.0578","","","0.1563","0.1706","","","","","","1.022","","","","has coordinates,has disorder","272660","2022-02-04","19:34:59",""
"7708905","15.0253","0.0019","15.749","0.0019","16.4568","0.0017","90","","90","","90","","3894.2","0.8","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 I N2 Si Zn -","- C14 H27 I N2 Si Zn -","- C112 H216 I8 N16 Si8 Zn8 -","8","1","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-State Control of Cobalt(II) and Iron(II) Complexes with Click-Derived Tripodal Ligands Through Non-Covalent and Fluorine-Specific Interactions","Dalton Transactions","2021","","","","","10.1039/D1DT03535E","","","0.71073","MoKα","","0.0795","0.0436","","","0.0892","0.1078","","","","","","1.084","","","","has coordinates","270819","2021-11-23","00:02:39",""
"7708906","19.651","0.0016","10.2987","0.0008","8.2925","0.0006","90","","90","","90","","1678.2","0.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C9 H25 I N2 Si Zn -","- C9 H25 I N2 Si Zn -","- C36 H100 I4 N8 Si4 Zn4 -","4","1","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-State Control of Cobalt(II) and Iron(II) Complexes with Click-Derived Tripodal Ligands Through Non-Covalent and Fluorine-Specific Interactions","Dalton Transactions","2021","","","","","10.1039/D1DT03535E","","","0.71073","MoKα","","0.0493","0.0392","","","0.0881","0.0938","","","","","","1.028","","","","has coordinates,has disorder","270819","2021-11-23","00:02:40",""
"7708907","18.9685","0.0003","17.2945","0.0003","20.8481","0.0005","90","","90","","90","","6839.2","0.2","150","0.1","150","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C54 H100 Cl6 Gd2 Li2 N2 O6 Si2 -","- C54 H100 Cl6 Gd2 Li2 N2 O6 Si2 -","- C216 H400 Cl24 Gd8 Li8 N8 O24 Si8 -","4","0.5","","Rasamsetty, Amaleswari; Mehta, Sakshi; Ansari, Kamal Uddin; Kumar, Pardeep; Mondal, Abhishake; Shanmugam, Maheswaran","Six-coordinated dinuclear lanthanide(III) amide complexes: investigation of magnetization relaxation dynamics and their electronic structures.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","63","68","10.1039/d1dt03708k","","x-ray","0.71073","MoKα","","0.0763","0.0508","","","0.0906","0.1002","","","","","","1.178","","","","has coordinates","272649","2022-02-04","19:31:25",""
"7708908","18.8863","0.0014","17.2224","0.0017","20.8711","0.0019","90","","90","","90","","6788.7","1","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C54 H100 Cl6 Li2 N2 O6 Si2 Y2 -","- C54 H100 Cl6 Li2 N2 O6 Si2 Y2 -","- C216 H400 Cl24 Li8 N8 O24 Si8 Y8 -","4","0.5","","Rasamsetty, Amaleswari; Mehta, Sakshi; Ansari, Kamal Uddin; Kumar, Pardeep; Mondal, Abhishake; Shanmugam, Maheswaran","Six-coordinated dinuclear lanthanide(III) amide complexes: investigation of magnetization relaxation dynamics and their electronic structures.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","63","68","10.1039/d1dt03708k","","x-ray","0.71073","MoKα","","0.2168","0.0869","","","0.1998","0.2897","","","","","","1.005","","","","has coordinates","272649","2022-02-04","19:31:26",""
"7708909","18.8807","0.0002","17.2088","0.0002","20.8678","0.0003","90","","90","","90","","6780.24","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C54 H100 Cl6 Dy2 Li2 N2 O6 Si2 -","- C54 H100 Cl6 Dy2 Li2 N2 O6 Si2 -","- C216 H400 Cl24 Dy8 Li8 N8 O24 Si8 -","4","0.5","","Rasamsetty, Amaleswari; Mehta, Sakshi; Ansari, Kamal Uddin; Kumar, Pardeep; Mondal, Abhishake; Shanmugam, Maheswaran","Six-coordinated dinuclear lanthanide(III) amide complexes: investigation of magnetization relaxation dynamics and their electronic structures.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","63","68","10.1039/d1dt03708k","","x-ray","0.71073","MoKα","","0.0503","0.0453","","","0.0906","0.093","","","","","","1.296","","","","has coordinates,has disorder","272649","2022-02-04","19:31:26",""
"7708910","11.803","0.006","12.244","0.007","12.493","0.006","86.15","0.03","88.39","0.03","70.61","0.02","1699.2","1.6","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 N Si2 -","- C39 H53 N Si2 -","- C78 H106 N2 Si4 -","2","1","","McOnie, Sarah L.; Özpınar, Gül Altınbaş; Bourque, Jeremy L.; Müller, Thomas; Baines, Kim M.","NH bond activation of ammonia and amines by ditetrelenes: key insights into the stereochemistry of nucleophilic addition","Dalton Transactions","2021","","","","","10.1039/D1DT03739K","","","0.71073","MoKα","","0.1094","0.0606","","","0.1424","0.1655","","","","","","1.02","","","","has coordinates","270842","2021-11-24","00:03:24",""
"7708911","16.9481","0.0009","12.526","0.0007","26.7721","0.0013","90","","92.723","0.004","90","","5677.1","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H132 Ag20 N16 O36 S10 -","- C58 H132 Ag20 N16 O36 S10 -","- C116 H264 Ag40 N32 O72 S20 -","2","0.5","","Chupina, Anastasia; Abramov, Pavel A.; Yanshole, Vadim V.; Sulyaeva, Veronica S.; Kokovkin, Vasily; Sokolov, Maksim Nailyevich","Self-assembly patterns of non-metalloid silver thiolates: structural, HR-ESI-MS and stability studies","Dalton Transactions","2021","","","","","10.1039/D1DT02398E","","x-ray","0.71073","MoKα","","0.1002","0.05","","","0.0775","0.0888","","","","","","0.967","","","","has coordinates,has disorder","270843","2021-11-24","00:04:17",""
"7708912","15.9769","0.0004","25.0801","0.0004","25.4499","0.0004","100.571","0.001","101.461","0.002","102.566","0.002","9477.2","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C226.5 H459 Ag58 N46.4 O94.2 S30 -","- C226.5 H459 Ag58 N46.4 O94.2 S30 -","- C226.5 H459 Ag58 N46.4 O94.2 S30 -","1","0.5","","Chupina, Anastasia; Abramov, Pavel A.; Yanshole, Vadim V.; Sulyaeva, Veronica S.; Kokovkin, Vasily; Sokolov, Maksim Nailyevich","Self-assembly patterns of non-metalloid silver thiolates: structural, HR-ESI-MS and stability studies","Dalton Transactions","2021","","","","","10.1039/D1DT02398E","","x-ray","0.71073","MoKα","","0.1686","0.0752","","","0.1654","0.2013","","","","","","0.998","","","","has coordinates,has disorder","270843","2021-11-24","00:04:21",""
"7708913","18.2444","0.0005","41.9711","0.0012","15.2141","0.0006","90","","91.211","0.003","90","","11647.4","0.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H86 Ag16 Br N8 O18 S8 -","- C41 H86 Ag16 Br N8 O18 S8 -","- C164 H344 Ag64 Br4 N32 O72 S32 -","4","0.5","","Chupina, Anastasia; Abramov, Pavel A.; Yanshole, Vadim V.; Sulyaeva, Veronica S.; Kokovkin, Vasily; Sokolov, Maksim Nailyevich","Self-assembly patterns of non-metalloid silver thiolates: structural, HR-ESI-MS and stability studies","Dalton Transactions","2021","","","","","10.1039/D1DT02398E","","x-ray","0.71073","MoKα","","0.1099","0.0627","","","0.1912","0.2103","","","","","","1.119","","","","has coordinates,has disorder","270843","2021-11-24","00:04:28",""
"7708914","9.9296","0.0005","10.4028","0.0004","13.9056","0.0006","84.674","0.003","76.702","0.004","83.421","0.004","1385.38","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H27 N21 O12 -","- C15 H27 N21 O12 -","- C30 H54 N42 O24 -","2","1","","Liu, Xiaomeng; Kang, Lei; Guo, Ruixin; Lin, Zheshuai","Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units","Dalton Transactions","2021","","","","","10.1039/D1DT03500B","","","0.71073","MoKα","","0.052","0.0373","","","0.1021","0.1099","","","","","","1.059","","","","has coordinates","270844","2021-11-24","00:05:14",""
"7708915","3.7706","0.0002","9.8381","0.0006","10.4914","0.0005","87.925","0.004","83.172","0.004","79.273","0.005","379.63","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N6 O3 -","- C4 H8 N6 O3 -","- C8 H16 N12 O6 -","2","1","","Liu, Xiaomeng; Kang, Lei; Guo, Ruixin; Lin, Zheshuai","Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units","Dalton Transactions","2021","","","","","10.1039/D1DT03500B","","","0.71073","MoKα","","0.0453","0.0375","","","0.1067","0.1128","","","","","","1.061","","","","has coordinates","270844","2021-11-24","00:05:15",""
"7708916","9.8187","0.0006","10.2351","0.0007","10.7679","0.001","112.662","0.007","107.773","0.006","91.967","0.005","936.6","0.14","93.15","","93.15","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H66 As2 Cl2 Pd -","- C36 H66 As2 Cl2 Pd -","- C36 H66 As2 Cl2 Pd -","1","0.5","","Chishiro, Akane; Konishi, Masafumi; Inaba, Ryoto; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tertiary arsine ligands for the Stille coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","95","103","10.1039/d1dt02955j","","x-ray","0.71073","MoKα","","0.0293","0.0236","","","0.0531","0.0564","","","","","","1.047","","","","has coordinates","272648","2022-02-04","19:31:05",""
"7708917","9.747","0.004","16.203","0.006","20.248","0.008","72.26","0.016","70.604","0.012","73.957","0.014","2817.7","1.9","93.15","","93.15","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H20 As2 Cl4 F36 Pd -","- C49 H20 As2 Cl4 F36 Pd -","- C98 H40 As4 Cl8 F72 Pd2 -","2","1","","Chishiro, Akane; Konishi, Masafumi; Inaba, Ryoto; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tertiary arsine ligands for the Stille coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","95","103","10.1039/d1dt02955j","","","0.71075","MoKα","","0.0372","0.0337","","","0.0802","0.0835","","","","","","1.028","","","","has coordinates,has disorder","272648","2022-02-04","19:31:06",""
"7708918","15.146","0.0014","20.0852","0.0019","10.5283","0.001","90","","92.131","0.009","90","","3200.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 As2 Cl2 Pd -","- C36 H30 As2 Cl2 Pd -","- C144 H120 As8 Cl8 Pd4 -","4","1","","Chishiro, Akane; Konishi, Masafumi; Inaba, Ryoto; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tertiary arsine ligands for the Stille coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","95","103","10.1039/d1dt02955j","","","0.71073","MoKα","","0.1388","0.058","","","0.0987","0.1249","","","","","","0.987","","","","has coordinates","272648","2022-02-04","19:31:06",""
"7708919","28.176","0.013","8.095","0.002","17.069","0.007","90","","115.517","0.017","90","","3513","2","273","","273","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 As2 Cl2 F6 Pd -","- C36 H24 As2 Cl2 F6 Pd -","- C144 H96 As8 Cl8 F24 Pd4 -","4","0.5","","Chishiro, Akane; Konishi, Masafumi; Inaba, Ryoto; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tertiary arsine ligands for the Stille coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","95","103","10.1039/d1dt02955j","","","0.71075","MoKα","","0.0691","0.0511","","","0.1329","0.1478","","","","","","1.069","","","","has coordinates","272648","2022-02-04","19:31:06",""
"7708920","12.72","0.002","22.095","0.004","18.916","0.004","90","","100.014","0.011","90","","5235.3","1.7","273","","273","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 As2 Cl2 O12 Pd -","- C48 H54 As2 Cl2 O12 Pd -","- C192 H216 As8 Cl8 O48 Pd4 -","4","1","","Chishiro, Akane; Konishi, Masafumi; Inaba, Ryoto; Yumura, Takashi; Imoto, Hiroaki; Naka, Kensuke","Tertiary arsine ligands for the Stille coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","95","103","10.1039/d1dt02955j","","","0.71075","MoKα","","0.0785","0.0587","","","0.1922","0.2223","","","","","","1.108","","","","has coordinates","272648","2022-02-04","19:31:06",""
"7708921","10.2656","0.0007","12.2123","0.0009","12.9782","0.0009","90.978","0.002","109.42","0.002","92.554","0.002","1532.06","0.19","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H29 B F4 O P Sb -","- C36 H29 B F4 O P Sb -","- C72 H58 B2 F8 O2 P2 Sb2 -","2","1","","Gonzalez, Vanessa M.; Park, Gyeongjin; Yang, Mengxi; Gabbaï, François P.","Fluoride anion complexation and transport using a stibonium cation stabilized by an intramolecular PO → Sb pnictogen bond","Dalton Transactions","2021","","","","","10.1039/D1DT03370K","","","0.71073","MoKα","","0.0295","0.024","","","0.0506","0.0531","","","","","","1.027","","","","has coordinates","270870","2021-11-25","00:04:41",""
"7708922","18.1724","0.0019","11.1064","0.0011","28.431","0.003","90","","90","","90","","5738.2","1","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H29 F O P Sb -","- C36 H29 F O P Sb -","- C288 H232 F8 O8 P8 Sb8 -","8","1","","Gonzalez, Vanessa M.; Park, Gyeongjin; Yang, Mengxi; Gabbaï, François P.","Fluoride anion complexation and transport using a stibonium cation stabilized by an intramolecular PO → Sb pnictogen bond","Dalton Transactions","2021","","","","","10.1039/D1DT03370K","","","1.54178","CuKα","","0.0743","0.0533","","","0.115","0.1322","","","","","","1.082","","","","has coordinates","270870","2021-11-25","00:04:42",""
"7708923","17.6637","0.0002","22.0021","0.0002","9.5719","0.0001","90","","94.459","0.001","90","","3708.75","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Tb(bmb)3]H2O","","","- C42 H29 N6 O7 Tb -","- C42 H29 N6 O7 Tb -","- C168 H116 N24 O28 Tb4 -","4","1","","Gu, Qi; Wang, Wenqian; Lu, Hao; Chen, Xi; Wang, Shuaihua; Wu, Shaofan","Isotypic lanthanide-organic frameworks and scintillating films with colour-tunable X-ray radioluminescence for imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","257","263","10.1039/d1dt03059k","","x-ray","1.3405","synchrotron","","0.0379","0.0303","","","0.0729","0.0759","","","","","","1.015","","","","has coordinates","272643","2022-02-04","19:29:54",""
"7708924","17.6275","0.0011","22.066","0.001","9.6033","0.0004","90","","94.622","0.005","90","","3723.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Eu(bmb)3]H2O","","","- C42 H29 Eu N6 O7 -","- C42 H29 Eu N6 O7 -","- C168 H116 Eu4 N24 O28 -","4","1","","Gu, Qi; Wang, Wenqian; Lu, Hao; Chen, Xi; Wang, Shuaihua; Wu, Shaofan","Isotypic lanthanide-organic frameworks and scintillating films with colour-tunable X-ray radioluminescence for imaging applications.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","257","263","10.1039/d1dt03059k","","x-ray","1.3405","synchrotron","","0.0437","0.0334","","","0.0806","0.0883","","","","","","1.071","","","","has coordinates","272643","2022-02-04","19:29:54",""
"7708925","15.0178","0.0005","19.5152","0.0007","10.5665","0.0003","90","","93.806","0.003","90","","3089.95","0.18","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.032","0.028","","","0.0716","0.0737","","","","","","1.043","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708926","15.036","0.0006","19.5219","0.0008","10.5714","0.0004","90","","93.949","0.003","90","","3095.7","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0399","0.0331","","","0.0791","0.0825","","","","","","1.052","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708927","15.1193","0.0005","19.3382","0.0009","10.6585","0.0005","90","","92.909","0.004","90","","3112.3","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0454","0.0374","","","0.0936","0.0985","","","","","","1.054","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708928","15.0793","0.0006","19.4818","0.001","10.5855","0.0004","90","","93.612","0.003","90","","3103.5","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0436","0.0343","","","0.0817","0.0862","","","","","","1.042","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708929","15.059","0.0006","19.1869","0.0008","10.7664","0.0004","90","","95.169","0.003","90","","3098.1","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0404","0.0333","","","0.0779","0.0817","","","","","","1.042","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708930","15.152","0.0006","19.2929","0.0011","10.7055","0.0005","90","","92.884","0.004","90","","3125.5","0.3","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0523","0.0422","","","0.1033","0.1088","","","","","","1.055","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708931","15.0709","0.0006","19.4318","0.0009","10.6012","0.0003","90","","93.251","0.003","90","","3099.6","0.2","296","","296","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H46 O6 Rh2 S2 -","- C28 H46 O6 Rh2 S2 -","- C112 H184 O24 Rh8 S8 -","4","1","","Kajiwara, Yuu; Miyata, Seiya; Nakai, Hidetaka","Unusual motion of the <i>n</i>-methoxypropyl moiety observed in the photochromic crystals of an organorhodium dithionite complex with <i>n</i>-methoxypropyltetramethylcyclopentadienyl ligands.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","48","52","10.1039/d1dt03347f","","","0.71075","MoKα","","0.0438","0.0356","","","0.0923","0.0963","","","","","","1.03","","","","has coordinates","272658","2022-02-04","19:33:59",""
"7708932","18.184","0.002","13.6565","0.0013","14.5002","0.0015","90","","113.959","0.003","90","","3290.6","0.6","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H56 Cd6 O50 -","- C48 H48 Cd6 O45.3332 -","- C96 H96 Cd12 O90.6664 -","2","0.25","","Cong, Zhenzhong; Zhu, Mingchang; Zhang, Ying; Yao, Wei; Kosinova, Marina; Fedin, Vladimir P.; Wu, Shuangyan; Gao, Enjun","Three novel metal-organic frameworks with different coordination modes for trace detection of anthrax biomarkers.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","250","256","10.1039/d1dt03760a","","","0.71073","MoKα","","0.0609","0.0388","","","0.0892","0.0997","","","","","","1.094","","","","has coordinates","272647","2022-02-04","19:30:41",""
"7708933","7.9374","0.0002","22.5281","0.0005","19.6837","0.0005","90","","92.98","0.001","90","","3514.97","0.15","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ca3 O22 -","- C24 H14 Ca3 O22 -","- C96 H56 Ca12 O88 -","4","1","","Cong, Zhenzhong; Zhu, Mingchang; Zhang, Ying; Yao, Wei; Kosinova, Marina; Fedin, Vladimir P.; Wu, Shuangyan; Gao, Enjun","Three novel metal-organic frameworks with different coordination modes for trace detection of anthrax biomarkers.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","250","256","10.1039/d1dt03760a","","","0.71073","MoKα","","0.0661","0.0548","","","0.1638","0.1747","","","","","","1.063","","","","has coordinates","272647","2022-02-04","19:30:41",""
"7708934","10.2364","0.0005","13.3601","0.0008","29.3596","0.0018","90","","93.623","0.002","90","","4007.2","0.4","150.02","","150.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H13 O17 Zn3 -","- C24 H9 O16.5 Zn3 -","- C96 H36 O66 Zn12 -","4","1","","Cong, Zhenzhong; Zhu, Mingchang; Zhang, Ying; Yao, Wei; Kosinova, Marina; Fedin, Vladimir P.; Wu, Shuangyan; Gao, Enjun","Three novel metal-organic frameworks with different coordination modes for trace detection of anthrax biomarkers.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","250","256","10.1039/d1dt03760a","","","0.71073","MoKα","","0.0706","0.0578","","","0.1744","0.1878","","","","","","1.082","","","","has coordinates","272647","2022-02-04","19:30:41",""
"7708935","10.9274","0.0003","14.1299","0.0002","14.5991","0.0004","90","","110.951","0.003","90","","2105.12","0.1","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 F12 O12 Ru2 -","- C40 H32 F12 O12 Ru2 -","- C80 H64 F24 O24 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","","0.71073","MoKα","","0.0258","0.0254","","","0.066","0.0663","","","","","","1.125","","","","has coordinates","272655","2022-02-04","19:32:51",""
"7708936","9.5745","0.0004","10.7072","0.0004","10.8653","0.0004","110.185","0.004","92.607","0.004","96.466","0.004","1034.55","0.08","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 F12 O14 Ru2 -","- C40 H32 F12 O14 Ru2 -","- C40 H32 F12 O14 Ru2 -","1","0.5","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","x-ray","0.71073","MoKα","","0.0364","0.033","","","0.0836","0.0862","","","","","","1.058","","","","has coordinates","272655","2022-02-04","19:32:51",""
"7708937","11.564","0.0003","21.2804","0.0005","9.16","0.0002","90","","101.954","0.002","90","","2205.27","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 F12 O14 Ru2 -","- C40 H32 F12 O14 Ru2 -","- C80 H64 F24 O28 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","x-ray","0.71073","MoKα","","0.0222","0.021","","","0.0534","0.0541","","","","","","1.056","","","","has coordinates,has disorder","272655","2022-02-04","19:32:51",""
"7708938","13.7407","0.0005","8.5407","0.0003","22.0232","0.0008","90","","100.872","0.003","90","","2538.15","0.16","98.15","","98.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 F12 O16 Ru2 -","- C48 H48 F12 O16 Ru2 -","- C96 H96 F24 O32 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","x-ray","0.71073","MoKα","","0.0344","0.0284","","","0.0673","0.0697","","","","","","1.049","","","","has coordinates","272655","2022-02-04","19:32:51",""
"7708939","9.2767","0.0002","11.2427","0.0002","25.2696","0.0004","99.304","0.001","99.011","0.001","96.648","0.001","2541.67","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H48 F12 O16 Ru2 -","- C48 H48 F12 O16 Ru2 -","- C96 H96 F24 O32 Ru4 -","2","1","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","x-ray","0.71073","MoKα","","0.0586","0.0557","","","0.1248","0.1267","","","","","","1.028","","","","has coordinates","272655","2022-02-04","19:32:51",""
"7708940","18.1637","0.0006","8.5969","0.0003","20.5738","0.0007","90","","111.7","0.004","90","","2984.96","0.19","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 F12 O18 Ru2 -","- C56 H64 F12 O18 Ru2 -","- C112 H128 F24 O36 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","x-ray","0.71073","MoKα","","0.0668","0.0538","","","0.1314","0.1375","","","","","","1.132","","","","has coordinates","272655","2022-02-04","19:32:51",""
"7708941","12.7745","0.0004","19.5988","0.0004","10.8663","0.0003","90","","112.948","0.003","90","","2505.23","0.13","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 F12 O14 Ru2 -","- C48 H48 F12 O14 Ru2 -","- C96 H96 F24 O28 Ru4 -","2","0.5","","Kosaka, Wataru; Watanabe, Yudai; Aliyah, Kinanti Hantiyana; Miyasaka, Hitoshi","Role of intramolecular hydrogen bonding in the redox chemistry of hydroxybenzoate-bridged paddlewheel diruthenium(II,II) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","85","94","10.1039/d1dt03791a","","","0.71075","MoKα","","0.0285","0.0262","","","0.0669","0.0683","","","","","","1.053","","","","has coordinates","272655","2022-02-04","19:32:51",""
"7708942","8.4352","0.0004","17.0889","0.0008","31.8495","0.0016","90","","90","","90","","4591.1","0.4","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 N18 O58 S6 Sm4 -","- C60 H72 N18 O58 S6 Sm4 -","- C120 H144 N36 O116 S12 Sm8 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0369","0.035","","","0.0929","0.103","","","","","","1.29","","","","has coordinates","272653","2022-02-04","19:32:20",""
"7708943","8.4336","0.0005","17.092","0.001","31.8609","0.0019","90","","90","","90","","4592.7","0.5","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H74 N18 O58 S6 Sm4 -","- C60 H74 N18 O58 S6 Sm4 -","- C120 H148 N36 O116 S12 Sm8 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0293","0.0274","","","0.0767","0.0875","","","","","","1.351","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708944","8.3933","0.0007","17.0645","0.0012","31.759","0.002","90","","90","","90","","4548.8","0.6","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N9 O28 S3 Tb2 -","- C30 H35 N9 O28 S3 Tb2 -","- C120 H140 N36 O112 S12 Tb8 -","4","1","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0324","0.0308","","","0.0839","0.0938","","","","","","1.242","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708945","8.4163","0.0004","17.0714","0.0009","31.8351","0.0015","90","","90","","90","","4574","0.4","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Eu4 N18 O58 S6 -","- C60 H68 Eu4 N18 O58 S6 -","- C120 H136 Eu8 N36 O116 S12 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0291","0.0277","","","0.0753","0.083","","","","","","1.243","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708946","8.4028","0.0007","17.0704","0.0015","31.728","0.003","90","","90","","90","","4551","0.7","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N9 O29 S3 Tb2 -","- C30 H37 N9 O29 S3 Tb2 -","- C120 H148 N36 O116 S12 Tb8 -","4","1","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0308","0.0283","","","0.0865","0.1029","","","","","","1.379","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708947","8.4307","0.0004","17.0678","0.0009","31.7941","0.0015","90","","90","","90","","4575","0.4","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H74 Eu4 N18 O58 S6 -","- C60 H74 Eu4 N18 O58 S6 -","- C120 H148 Eu8 N36 O116 S12 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0346","0.0321","","","0.0815","0.0896","","","","","","1.218","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708948","10.891","0.0003","18.7942","0.0005","10.9483","0.0003","90","","94.108","0.003","90","","2235.22","0.11","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H41 Li N4 Si -","- C16 H41 Li N4 Si -","- C64 H164 Li4 N16 Si4 -","4","1","","Davison, Nathan; Waddell, Paul G.; Dixon, Casey; Wills, Corinne; Penfold, Thomas; Lu, Erli","A Monomeric (Trimethylsilyl)methyl Lithium Complex: Synthesis, Structure, Decomposition and Preliminary Reactivity Studies New Talent: Europe themed issue of Dalton Transactions","Dalton Transactions","2021","","","","","10.1039/D1DT03532K","","x-ray","1.54184","CuKα","","0.0805","0.059","","","0.1466","0.1637","","","","","","1.067","","","","has coordinates,has disorder","270894","2021-11-26","23:54:09",""
"7708949","12.7436","0.0002","22.0133","0.0003","23.1214","0.0004","90","","94.591","0.001","90","","6465.4","0.18","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H84 Li4 O4 Si4 -","- C68 H84 Li4 O4 Si4 -","- C272 H336 Li16 O16 Si16 -","4","1","","Davison, Nathan; Waddell, Paul G.; Dixon, Casey; Wills, Corinne; Penfold, Thomas; Lu, Erli","A Monomeric (Trimethylsilyl)methyl Lithium Complex: Synthesis, Structure, Decomposition and Preliminary Reactivity Studies New Talent: Europe themed issue of Dalton Transactions","Dalton Transactions","2021","","","","","10.1039/D1DT03532K","","x-ray","1.54184","CuKα","","0.0726","0.0544","","","0.134","0.1486","","","","","","1.026","","","","has coordinates","270894","2021-11-26","23:54:10",""
"7708950","15.6022","0.0003","10.092","0.0002","14.6868","0.0003","90","","111.323","0.002","90","","2154.24","0.08","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 Li2 N6 -","- C16 H40 Li2 N6 -","- C64 H160 Li8 N24 -","4","0.5","","Davison, Nathan; Waddell, Paul G.; Dixon, Casey; Wills, Corinne; Penfold, Thomas; Lu, Erli","A Monomeric (Trimethylsilyl)methyl Lithium Complex: Synthesis, Structure, Decomposition and Preliminary Reactivity Studies New Talent: Europe themed issue of Dalton Transactions","Dalton Transactions","2021","","","","","10.1039/D1DT03532K","","x-ray","1.54184","CuKα","","0.0444","0.0398","","","0.1065","0.111","","","","","","1.045","","","","has coordinates","270894","2021-11-26","23:54:10",""
"7708951","16.9028","0.0005","8.8805","0.0003","19.9387","0.0007","90","","108.353","0.004","90","","2840.67","0.17","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H52 Li2 N6 O2 Si2 -","- C20 H52 Li2 N6 O2 Si2 -","- C80 H208 Li8 N24 O8 Si8 -","4","0.5","","Davison, Nathan; Waddell, Paul G.; Dixon, Casey; Wills, Corinne; Penfold, Thomas; Lu, Erli","A Monomeric (Trimethylsilyl)methyl Lithium Complex: Synthesis, Structure, Decomposition and Preliminary Reactivity Studies New Talent: Europe themed issue of Dalton Transactions","Dalton Transactions","2021","","","","","10.1039/D1DT03532K","","x-ray","1.54184","CuKα","","0.0532","0.0446","","","0.1158","0.1259","","","","","","1.052","","","","has coordinates","270894","2021-11-26","23:54:10",""
"7708952","25.546","0.0002","18.1249","0.0001","27.9275","0.0002","90","","108.378","0.001","90","","12271.4","0.16","180","","180","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C96 H168 Cl2 F2 N16 Ni4 O20 Rh2 S4 -","- C96 H168 Cl2 F2 N16 Ni4 O20 Rh2 S4 -","- C384 H672 Cl8 F8 N64 Ni16 O80 Rh8 S16 -","4","1","","Schmorl, Sara; Börner, Martin; Kersting, Berthold","Stable thiolate adducts of Rh<sub>2</sub>(OAc)<sub>4</sub> - assembly of hexametallic Ni<sub>4</sub>Rh<sub>2</sub> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","59","62","10.1039/d1dt03509f","","","1.54186","CuKα","","0.0559","0.0462","","","0.126","0.13","","","","","","1.048","","","","has coordinates,has disorder","272650","2022-02-04","19:31:37",""
"7708953","9.425","0.0004","8.8692","0.0003","13.4809","0.0006","90","","93.142","0.004","90","","1125.2","0.08","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H14 Mn N O7 P3 -","- C2 H14 Mn N O7 P3 -","- C8 H56 Mn4 N4 O28 P12 -","4","1","","Mączka, Mirosław; Stefańska, Dagmara; Gągor, Anna; Pikul, Adam","The cation-dependent structural, magnetic and optical properties of a family of hypophosphite hybrid perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","352","360","10.1039/d1dt03382d","","x-ray","0.71073","MoKα","","0.0377","0.0282","","","0.0648","0.0692","","","","","","1.046","","","","has coordinates","272662","2022-02-04","19:36:27",""
"7708954","9.7325","0.0003","9.1882","0.0003","13.4223","0.0004","90","","91.018","0.003","90","","1200.09","0.06","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mn N O6 P3 -","- C4 H16 Mn N O6 P3 -","- C16 H64 Mn4 N4 O24 P12 -","4","1","","Mączka, Mirosław; Stefańska, Dagmara; Gągor, Anna; Pikul, Adam","The cation-dependent structural, magnetic and optical properties of a family of hypophosphite hybrid perovskites.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","352","360","10.1039/d1dt03382d","","x-ray","0.71073","MoKα","","0.0313","0.025","","","0.0595","0.063","","","","","","1.054","","","","has coordinates","272662","2022-02-04","19:36:27",""
"7708955","17.3221","0.0001","10.9893","0.0001","22.6042","0.0001","90","","90.158","0.001","90","","4302.87","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N14 O2 W -","- C44 H44 N14 O2 W -","- C176 H176 N56 O8 W4 -","4","1","","Jurowska, Anna; Hodorowicz, Maciej; Kruczała, Krzysztof; Szklarzewicz, Janusz","Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+","Dalton Transactions","2021","","","","","10.1039/D1DT03224K","","","1.54184","CuKα","","0.0293","0.0289","","","0.0757","0.076","","","","","","1.083","","","","has coordinates","270922","2021-11-30","00:03:48",""
"7708956","17.493","0.0001","12.5476","0.0001","21.7724","0.0002","90","","109.047","0.001","90","","4517.3","0.07","130","2","130","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H45 N14 O4 W -","- C44 H45 N14 O4 W -","- C176 H180 N56 O16 W4 -","4","1","","Jurowska, Anna; Hodorowicz, Maciej; Kruczała, Krzysztof; Szklarzewicz, Janusz","Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+","Dalton Transactions","2021","","","","","10.1039/D1DT03224K","","x-ray","0.71073","MoKα","","0.0382","0.029","","","0.0635","0.0678","","","","","","1.105","","","","has coordinates","270922","2021-11-30","00:03:49",""
"7708957","15.3579","0.0001","14.2995","0.0001","20.5069","0.0002","90","","90","","90","","4503.53","0.06","100","2","99.98","0.13","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N10 O2 W -","- C20 H20 N10 O2 W -","- C160 H160 N80 O16 W8 -","8","1","","Jurowska, Anna; Hodorowicz, Maciej; Kruczała, Krzysztof; Szklarzewicz, Janusz","Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+","Dalton Transactions","2021","","","","","10.1039/D1DT03224K","","x-ray","0.71073","MoKα","","0.0242","0.0187","","","0.0394","0.0406","","","","","","1.028","","","","has coordinates","270922","2021-11-30","00:03:49",""
"7708958","11.6235","0.0001","17.5314","0.0001","20.1961","0.0001","90","","90","","90","","4115.49","0.05","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H61 Mg N3 O Si -","- C42 H61 Mg N3 O Si -","- C168 H244 Mg4 N12 O4 Si4 -","4","1","","Okokhere-Edeghoghon, Bibian; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Isocyanate deoxygenation by a molecular magnesium silanide.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","136","144","10.1039/d1dt03775g","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0844","0.0853","","","","","","1.02","","","","has coordinates","272661","2022-02-04","19:36:18",""
"7708959","16.2685","0.0003","24.0536","0.0004","24.367","0.0005","61.681","0.002","85.617","0.002","86.756","0.002","8367.2","0.3","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C153 H240 Mg3 N12 O6 Si3 -","- C135 H198 Mg3 N12 O6 Si3 -","- C270 H396 Mg6 N24 O12 Si6 -","2","1","","Okokhere-Edeghoghon, Bibian; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Isocyanate deoxygenation by a molecular magnesium silanide.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","136","144","10.1039/d1dt03775g","","x-ray","1.54184","CuKα","","0.0682","0.049","","","0.1256","0.1362","","","","","","1.045","","","","has coordinates,has disorder","272661","2022-02-04","19:36:18",""
"7708960","13.7088","0.0001","17.6095","0.0001","21.7081","0.0002","90","","106.096","0.001","90","","5035.01","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51.8 H73.2 Mg N3 O Si -","- C50 H69 Mg N3 O Si -","- C200 H276 Mg4 N12 O4 Si4 -","4","1","","Okokhere-Edeghoghon, Bibian; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Isocyanate deoxygenation by a molecular magnesium silanide.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","136","144","10.1039/d1dt03775g","","x-ray","1.54184","CuKα","","0.0524","0.0449","","","0.1168","0.1221","","","","","","1.037","","","","has coordinates,has disorder","272661","2022-02-04","19:36:18",""
"7708961","8.4892","0.0004","15.9996","0.0008","22.0985","0.0009","90","","90","","90","","3001.5","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1a","","- C25 H49 N3 O Si2 Sn -","- C25 H49 N3 O Si2 Sn -","- C100 H196 N12 O4 Si8 Sn4 -","4","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0236","0.0202","","","0.0405","0.0413","","","","","","1.047","","","","has coordinates","270948","2021-11-30","23:58:11",""
"7708962","16.2871","0.0011","17.9609","0.0011","14.0251","0.0009","90","","103.863","0.002","90","","3983.3","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4a","","- C38 H66 N4 O2 Sn -","- C38 H66 N4 O2 Sn -","- C152 H264 N16 O8 Sn4 -","4","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0235","0.0197","","","0.0482","0.0498","","","","","","1.032","","","","has coordinates","270948","2021-11-30","23:58:14",""
"7708963","9.0629","0.0009","9.064","0.0009","13.2606","0.0013","71.073","0.003","75.736","0.003","80.55","0.003","994.42","0.17","100","2","100","","","","","","","","","5","P -1","-P 1","2","","3a","","- C19 H32 N2 O Sn -","- C19 H32 N2 O Sn -","- C38 H64 N4 O2 Sn2 -","2","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0159","0.0152","","","0.0396","0.0398","","","","","","1.131","","","","has coordinates","270948","2021-11-30","23:58:14",""
"7708964","15.197","0.0012","15.6665","0.001","19.2301","0.0015","90","","91.923","0.003","90","","4575.8","0.6","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2b'","","- C42 H54 N4 O2 Sn -","- C42 H54 N4 O2 Sn -","- C168 H216 N16 O8 Sn4 -","4","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","x-ray","0.71073","MoKα","","0.0273","0.0225","","","0.0542","0.056","","","","","","1.06","","","","has coordinates","270948","2021-11-30","23:58:15",""
"7708965","8.3321","0.0009","20.111","0.002","18.17","0.002","90","","93.329","0.004","90","","3039.6","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1b","","- C27 H45 N3 O Si2 Sn -","- C27 H45 N3 O Si2 Sn -","- C108 H180 N12 O4 Si8 Sn4 -","4","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.022","0.0204","","","0.0489","0.0505","","","","","","1.111","","","","has coordinates,has disorder","270948","2021-11-30","23:58:15",""
"7708966","15.6349","0.0018","15.8939","0.0019","18.278","0.002","90","","97.412","0.004","90","","4504.1","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3b'","","- C42 H52 N4 O2 Sn2 -","- C42 H52 N4 O2 Sn2 -","- C168 H208 N16 O8 Sn8 -","4","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0504","0.0323","","","0.0697","0.0739","","","","","","1.053","","","","has coordinates","270948","2021-11-30","23:58:15",""
"7708967","36.251","0.003","9.702","0.0008","25.772","0.002","90","","119.231","0.003","90","","7909.9","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4b","","- C42 H58 N4 O2 Sn -","- C42 H58 N4 O2 Sn -","- C336 H464 N32 O16 Sn8 -","8","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","x-ray","0.71073","MoKα","","0.0473","0.0272","","","0.0582","0.0656","","","","","","1.031","","","","has coordinates","270948","2021-11-30","23:58:15",""
"7708968","25.7583","0.0019","13.5091","0.0009","24.5175","0.0019","90","","110.166","0.003","90","","8008.4","1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2a","","- C38 H62 N4 O2 Sn -","- C38 H62 N4 O2 Sn -","- C304 H496 N32 O16 Sn8 -","8","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0393","0.0272","","","0.0559","0.0597","","","","","","1.028","","","","has coordinates","270948","2021-11-30","23:58:15",""
"7708969","9.5711","0.0009","11.1051","0.001","21.902","0.002","90","","93.592","0.003","90","","2323.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3b","","- C44 H60 Cl4 N4 O2 Sn2 -","- C44 H60 Cl4 N4 O2 Sn2 -","- C88 H120 Cl8 N8 O4 Sn4 -","2","0.5","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0379","0.0271","","","0.0557","0.0588","","","","","","1.056","","","","has coordinates,has disorder","270948","2021-11-30","23:58:15",""
"7708970","13.8148","0.0009","13.8148","0.0009","9.9198","0.0007","90","","90","","120","","1639.54","0.19","100","","100","","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H24 Co K O10 -","- C16 H24 Co K O10 -","- C48 H72 Co3 K3 O30 -","3","0.333333","","Schneider, Christian; Guggolz, Lukas; Werncke, C. Gunnar","High-spin carbonyl complexes of iron(I) and cobalt(I).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","179","184","10.1039/d1dt03924e","","x-ray","0.71073","MoKα","","0.0404","0.0357","","","0.0779","0.0798","","","","","","1.068","","","","has coordinates","272652","2022-02-04","19:32:04",""
"7708971","8.6181","0.0005","19.958","0.001","23.1156","0.0012","90","","90.923","0.002","90","","3975.4","0.4","100","2","100.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H60 Fe K N2 O7 Si4 -","- C25 H60 Fe K N2 O7 Si4 -","- C100 H240 Fe4 K4 N8 O28 Si16 -","4","1","","Schneider, Christian; Guggolz, Lukas; Werncke, C. Gunnar","High-spin carbonyl complexes of iron(I) and cobalt(I).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","179","184","10.1039/d1dt03924e","","","0.71073","MoKα","","0.0528","0.0328","","","0.0638","0.0695","","","","","","1.024","","","","has coordinates","272652","2022-02-04","19:32:05",""
"7708972","12.5496","0.0005","13.9247","0.0006","15.1024","0.0006","111.711","0.001","92.932","0.001","108.901","0.001","2275.4","0.16","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H72 Co K N4 O7 Si4 -","- C31 H72 Co K N4 O7 Si4 -","- C62 H144 Co2 K2 N8 O14 Si8 -","2","1","","Schneider, Christian; Guggolz, Lukas; Werncke, C. Gunnar","High-spin carbonyl complexes of iron(I) and cobalt(I).","Dalton transactions (Cambridge, England : 2003)","2021","51","1","179","184","10.1039/d1dt03924e","","x-ray","0.71073","MoKα","","0.0593","0.0382","","","0.0807","0.0877","","","","","","1.028","","","","has coordinates","272652","2022-02-04","19:32:05",""
"7708973","19.9245","0.0009","11.0559","0.0005","30.7401","0.0014","90","","107.531","0.002","90","","6457","0.5","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 Cl2 N4 O2.5 P Ru -","- C32 H36 Cl2 N4 O2.5 P Ru -","- C256 H288 Cl16 N32 O20 P8 Ru8 -","8","1","","Piyasaengthong, Akkharadet; Williams, Luke J.; Yufit, Dmitry S.; Walton, James W.","Novel ruthenium complexes bearing bipyridine-based and N-heterocyclic carbene-supported pyridine (NCN) ligands: the influence of ligands on catalytic transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","340","351","10.1039/d1dt03240b","","x-ray","0.71073","MoKα","","0.058","0.0404","","","0.098","0.1024","","","","","","1.071","","","","has coordinates","272644","2022-02-04","19:30:05",""
"7708974","12.01","0.0004","4.4177","0.0002","10.9527","0.0004","90","","94.1004","0.0014","90","","579.63","0.04","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br2 N2 -","- C12 H10 Br2 N2 -","- C24 H20 Br4 N4 -","2","0.5","","Piyasaengthong, Akkharadet; Williams, Luke J.; Yufit, Dmitry S.; Walton, James W.","Novel ruthenium complexes bearing bipyridine-based and N-heterocyclic carbene-supported pyridine (NCN) ligands: the influence of ligands on catalytic transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","340","351","10.1039/d1dt03240b","","x-ray","0.71073","MoKα","","0.0241","0.0201","","","0.0508","0.052","","","","","","1.126","","","","has coordinates","272644","2022-02-04","19:30:05",""
"7708975","11.2416","0.0011","6.6518","0.0007","21.523","0.002","90","","104.61","0.003","90","","1557.4","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 Cl3 N4 O -","- C12 H19 Cl3 N4 O -","- C48 H76 Cl12 N16 O4 -","4","1","","Piyasaengthong, Akkharadet; Williams, Luke J.; Yufit, Dmitry S.; Walton, James W.","Novel ruthenium complexes bearing bipyridine-based and N-heterocyclic carbene-supported pyridine (NCN) ligands: the influence of ligands on catalytic transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","340","351","10.1039/d1dt03240b","","x-ray","0.71073","MoKα","","0.0969","0.0675","","","0.1564","0.1684","","","","","","1.101","","","","has coordinates,has disorder","272644","2022-02-04","19:30:05",""
"7708976","12.6371","0.0004","14.0622","0.0005","16.8293","0.0006","90","","94.3","0.001","90","","2982.24","0.18","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Cl2 F6 N4 P Ru -","- C26 H31 Cl2 F6 N4 P Ru -","- C104 H124 Cl8 F24 N16 P4 Ru4 -","4","1","","Piyasaengthong, Akkharadet; Williams, Luke J.; Yufit, Dmitry S.; Walton, James W.","Novel ruthenium complexes bearing bipyridine-based and N-heterocyclic carbene-supported pyridine (NCN) ligands: the influence of ligands on catalytic transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","340","351","10.1039/d1dt03240b","","x-ray","0.71073","MoKα","","0.0901","0.0662","","","0.1594","0.1721","","","","","","1.075","","","","has coordinates,has disorder","272644","2022-02-04","19:30:05",""
"7708977","10.37486","0.000015","10.37486","0.000015","37.15296","0.000075","90","","90","","120","","3463.29","0.01","300","","300","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ca48.6 Eu5.999 Ge1.198 O168 P40.799 Zn6 -","- Ca48.6006 Eu5.9994 Ge1.2006 O168 P40.7994 Zn6 -","- Ca48.6006 Eu5.9994 Ge1.2006 O168 P40.7994 Zn6 -","1","0.0555556","","Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey","The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement","Dalton Transactions","2021","","","","","10.1039/D1DT03534G","powder diffraction","x-ray","1.5406","CuKα","","","0.0501","","","0.0664","","","","2.02","","","","","","","has coordinates","270951","2021-12-01","00:01:57",""
"7708978","10.42877","0.000027","10.42877","0.000027","37.34327","0.00014","90","","90","","120","","3517.3","0.018","300","","300","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ca49.799 Eu6.001 Ge3.6 O168 P38.4 Zn6 -","- Ca49.7994 Eu6.0012 Ge3.6 O168 P38.4 Zn6 -","- Ca49.7994 Eu6.0012 Ge3.6 O168 P38.4 Zn6 -","1","0.0555556","","Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey","The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement","Dalton Transactions","2021","","","","","10.1039/D1DT03534G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","","2.73","","","","","","","has coordinates","270951","2021-12-01","00:01:58",""
"7708979","10.38838","0.00001","10.38838","0.00001","37.22381","0.000056","90","","90","","120","","3478.94","0.007","300","","300","","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- Ca49.2 Eu5.997 Ge2.399 O168 P39.598 Zn6 -","- Ca49.2006 Eu5.99994 Ge2.3994 O168 P39.6006 Zn6 -","- Ca49.2006 Eu5.99994 Ge2.3994 O168 P39.6006 Zn6 -","1","0.0555556","","Deyneko, Dina V.; Nikiforov, Ivan V.; Lazoryak, Bogdan I.; Aksenov, Sergey","The role of anionic heterovalent [PO4]3– → [GeO4]4– substitution on the luminescent properties in inorganic phosphors with the β-Ca3(PO4)2 type structure: New data based on accurate crystal structure refinement","Dalton Transactions","2021","","","","","10.1039/D1DT03534G","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","","2.54","","","","","","","has coordinates","270951","2021-12-01","00:01:58",""
"7708980","10.123","0.002","16.278","0.004","13.191","0.003","90","","107.198","0.003","90","","2076.5","0.8","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H42 N6 O14 Zn2 -","- C26 H28 N4 O12 Zn2 -","- C52 H56 N8 O24 Zn4 -","2","1","","Wang, Kang; Duan, Yuhan; Chen, Jiajing; Wang, Haiying; Liu, Hui-Yan","Dye encapsulated zinc-based metal-organic framework as a dual-emission sensor for highly sensitive detection of antibiotics","Dalton Transactions","2021","","","","","10.1039/D1DT03950D","","","0.71073","MoKα","","0.0848","0.0774","","","0.2123","0.2202","","","","","","1.029","","","","has coordinates,has disorder","270952","2021-12-01","00:02:50",""
"7708981","23.256","0.004","23.256","0.004","19.964","0.003","90","","90","","120","","9351","3","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H33 N3 O33 Zn6 -","- C51 H33 N3 O33 Zn6 -","- C153 H99 N9 O99 Zn18 -","3","0.5","","Wang, Kang; Duan, Yuhan; Chen, Jiajing; Wang, Haiying; Liu, Hui-Yan","Dye encapsulated zinc-based metal-organic framework as a dual-emission sensor for highly sensitive detection of antibiotics","Dalton Transactions","2021","","","","","10.1039/D1DT03950D","","","0.71073","MoKα","","0.1611","0.1076","","","0.2515","0.2871","","","","","","1.07","","","","has coordinates,has disorder","270952","2021-12-01","00:02:51",""
"7708982","12.0247","0.0009","20.8936","0.0015","8.5817","0.0006","90","","90","","90","","2156.1","0.3","223","2","223","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C32 H50 Br2 N4 O2 Pd2 S2 -","- C32 H50 Br2 N4 O2 Pd2 S2 -","- C64 H100 Br4 N8 O4 Pd4 S4 -","2","0.5","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0316","0.03","","","0.0852","0.086","","","","","","1.095","","","","has coordinates,has disorder","270968","2021-12-02","00:04:10",""
"7708983","10.7132","0.0004","16.3123","0.0006","11.7957","0.0005","90","","115.402","0.001","90","","1862.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N6 Pd S2 -","- C36 H56 N6 Pd S2 -","- C72 H112 N12 Pd2 S4 -","2","0.5","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0281","0.0257","","","0.0643","0.0657","","","","","","1.044","","","","has coordinates","270968","2021-12-02","00:04:10",""
"7708984","9.1475","0.0003","10.4335","0.0004","11.9175","0.0004","83.335","0.001","80.571","0.001","64.656","0.001","1012.71","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H42 Cl2 N12 O6 Pd2 S2 -","- C22 H42 Cl2 N12 O6 Pd2 S2 -","- C22 H42 Cl2 N12 O6 Pd2 S2 -","1","0.5","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0373","0.034","","","0.1054","0.1091","","","","","","1.05","","","","has coordinates","270968","2021-12-02","00:04:10",""
"7708985","23.4302","0.0005","17.5754","0.0005","9.5225","0.0002","90","","97.86","0.001","90","","3884.48","0.16","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Cl1.5 I0.5 N8 O1.75 Pd2 S2 -","- C26 H46 Cl1.5 I0.5 N8 O1.75 Pd2 S2 -","- C104 H184 Cl6 I2 N32 O7 Pd8 S8 -","4","1","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0408","0.0338","","","0.0933","0.0992","","","","","","1.042","","","","has coordinates,has disorder","270968","2021-12-02","00:04:10",""
"7708986","9.0107","0.0006","16.9043","0.0011","29.042","0.002","90","","90","","90","","4423.7","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H26 Br2 N4 Pd -","- C18 H26 Br2 N4 Pd -","- C144 H208 Br16 N32 Pd8 -","8","1","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0957","0.0775","","","0.2051","0.2204","","","","","","1.088","","","","has coordinates","270968","2021-12-02","00:04:10",""
"7708987","11.1677","0.0011","14.0905","0.0014","20.73","0.002","90","","92.045","0.002","90","","3260","0.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Cl12 I2 N8 Pd2 S2 -","- C46 H58 Cl12 I2 N8 Pd2 S2 -","- C92 H116 Cl24 I4 N16 Pd4 S4 -","2","0.5","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0932","0.0753","","","0.1611","0.1683","","","","","","1.144","","","","has coordinates","270968","2021-12-02","00:04:10",""
"7708988","10.6178","0.0003","11.6652","0.0002","11.9931","0.0003","90","","112.947","0.001","90","","1367.9","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H29 Br2 Cl3 N4 Pd -","- C23 H29 Br2 Cl3 N4 Pd -","- C46 H58 Br4 Cl6 N8 Pd2 -","2","1","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0259","0.0248","","","0.0658","0.0661","","","","","","1.135","","","","has coordinates,has disorder","270968","2021-12-02","00:04:10",""
"7708989","19.2127","0.0005","8.3951","0.0003","14.5503","0.0005","90","","120.638","0.001","90","","2019.24","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H30 N6 O Pd S2 -","- C14 H30 N6 O Pd S2 -","- C56 H120 N24 O4 Pd4 S8 -","4","0.5","","Huynh, Han Vinh; Ong, Hong Lee; Ghatak, Kausani","Mixed NHC–thiolato complexes of palladium: understanding the formation of di-versus mononuclear complexes","Dalton Transactions","2021","","","","","10.1039/D1DT03714E","","","0.71073","MoKα","","0.0425","0.0373","","","0.0892","0.0919","","","","","","1.128","","","","has coordinates","270968","2021-12-02","00:04:10",""
"7708990","6.6479","0.0003","11.6182","0.0005","21.899","0.0008","90","","93.307","0.001","90","","1688.59","0.12","153","","153","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B14 O24 Sr3 -","- B14 O24 Sr3 -","- B56 O96 Sr12 -","4","1","","Wu, Chengfa; Chen, Zilong; Chen, Jianbang; Yang, Zhihua; Zhang, Fangfang; Shi, Hongsheng; Pan, Shilie","Sr3B14O24: A New Borate with [B14O30] Fundamental Building Block and Unwonted 2D Double Layer","Dalton Transactions","2021","","","","","10.1039/D1DT03653J","","","0.71073","MoKα","","0.0881","0.0437","","","0.0954","0.1118","","","","","","1.009","","","","has coordinates","270969","2021-12-02","00:05:06",""
"7708991","15.5565","0.0004","15.5565","0.0004","48.5419","0.0017","90","","90","","120","","10173.5","0.5","170","2","170","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C30 H112 Cu3 N12 O20 S8 Sb2 -","- C30 H108 Cu3 N12 O19.9998 S8 Sb2 -","- C180 H648 Cu18 N72 O119.999 S48 Sb12 -","6","0.166667","","Danker, Felix; Engesser, Tobias A.; Broich, Dario; Näther, Christian; Bensch, Wolfgang","The cation and anion bonding modes make a difference: an unprecedented layered structure and a tri(hetero)nuclear moiety in thioantimonates(v)","Dalton Transactions","2021","","","","","10.1039/D1DT03014K","","","0.71073","MoKα","","0.0434","0.0386","","","0.1005","0.1042","","","","","","1.144","","","","has coordinates","270970","2021-12-02","00:05:57",""
"7708992","10.6285","0.0002","23.7045","0.0005","11.9837","0.0002","90","","105.13","0.002","90","","2914.55","0.1","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H86 N12 O8 S8 Sb2 Zn3 -","- C30 H84 N12 O8 S8 Sb2 Zn3 -","- C60 H168 N24 O16 S16 Sb4 Zn6 -","2","0.5","","Danker, Felix; Engesser, Tobias A.; Broich, Dario; Näther, Christian; Bensch, Wolfgang","The cation and anion bonding modes make a difference: an unprecedented layered structure and a tri(hetero)nuclear moiety in thioantimonates(v)","Dalton Transactions","2021","","","","","10.1039/D1DT03014K","","","0.71073","MoKα","","0.0466","0.0412","","","0.1155","0.1196","","","","","","1.055","","","","has coordinates,has disorder","270970","2021-12-02","00:05:57",""
"7708993","12.1273","0.0002","12.624","0.0002","14.5316","0.0003","90","","103.938","0.002","90","","2159.21","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","L2AlCl","","- C18 H32 Al Cl N2 O4 -","- C18 H32 Al Cl N2 O4 -","- C72 H128 Al4 Cl4 N8 O16 -","4","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0442","0.0392","","","0.0994","0.1031","","","","","","1.04","","","","has coordinates","272657","2022-02-04","19:33:40",""
"7708994","9.08077","0.00015","8.02118","0.0001","18.3319","0.0003","90","","98.2836","0.0016","90","","1321.34","0.04","151.6","0.4","151.6","0.4","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 Cl2 Ga N O2 -","- C9 H16 Cl2 Ga N O2 -","- C36 H64 Cl8 Ga4 N4 O8 -","4","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0256","0.0233","","","0.0597","0.0614","","","","","","1.086","","","","has coordinates","272657","2022-02-04","19:33:40",""
"7708995","9.0451","0.0001","8.1063","0.0001","18.2392","0.0002","90","","98.37","0.001","90","","1323.1","0.03","150","0.01","150","0.01","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Aluminium dichloride isopropylamidoenoate","","- C9 H16 Al Cl2 N O2 -","- C9 H16 Al Cl2 N O2 -","- C36 H64 Al4 Cl8 N4 O8 -","4","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0253","0.0244","","","0.0665","0.0671","","","","","","1.034","","","","has coordinates","272657","2022-02-04","19:33:40",""
"7708996","12.1961","0.0002","12.6013","0.0002","14.5825","0.0002","90","","103.144","0.002","90","","2182.42","0.06","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Gallium chlorido bis-isopropylamidoenoate","","- C18 H32 Cl Ga N2 O4 -","- C18 H32 Cl Ga N2 O4 -","- C72 H128 Cl4 Ga4 N8 O16 -","4","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0315","0.0308","","","0.0798","0.0802","","","","","","1.087","","","","has coordinates","272657","2022-02-04","19:33:40",""
"7708997","8.9753","0.0001","23.7494","0.0002","16.8675","0.0001","90","","96.441","0.001","90","","3572.75","0.05","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Gallium chlorido bis-2,6-diisopropylamidoenoate","","- C36 H52 Cl Ga N2 O4 -","- C36 H52 Cl Ga N2 O4 -","- C144 H208 Cl4 Ga4 N8 O16 -","4","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0315","0.0304","","","0.0828","0.084","","","","","","1.035","","","","has coordinates,has disorder","272657","2022-02-04","19:33:40",""
"7708998","21.0767","0.0001","21.0767","0.0001","16.3798","0.0001","90","","90","","90","","7276.35","0.07","150","0.1","150","0.1","","","","","","","","5","I -4","I -4","82","","Aluminium hydrido bis-2,6-diisopropylphenylamidoenoate","","- C36 H53 Al N2 O4 -","- C36 H53 Al N2 O4 -","- C288 H424 Al8 N16 O32 -","8","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.0365","0.0352","","","0.0946","0.0961","","","","","","1.028","","","","has coordinates,has disorder","272657","2022-02-04","19:33:40",""
"7708999","8.9081","0.0001","23.8108","0.0002","16.8695","0.0002","90","","96.865","0.001","90","","3552.52","0.07","150","0.1","150","0.01","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","xstr1155","","- C36 H52 Al Cl N2 O4 -","- C36 H52 Al Cl N2 O4 -","- C144 H208 Al4 Cl4 N8 O16 -","4","1","","Mears, Kristian L.; Bhide, Malavika A.; Knapp, Caroline E.; Carmalt, Claire J.","Investigations into the structure, reactivity, and AACVD of aluminium and gallium amidoenoate complexes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","156","167","10.1039/d1dt03365d","","x-ray","1.54184","CuKα","","0.044","0.0393","","","0.1027","0.1072","","","","","","1.04","","","","has coordinates","272657","2022-02-04","19:33:40",""
"7709000","18.729","0.0005","14.8702","0.0004","11.1918","0.0004","90","","90","","90","","3116.96","0.16","100","1","100","1","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C29 H35 Cl2 Er N6 O4 -","- C29 H35 Cl2 Er N6 O4 -","- C116 H140 Cl8 Er4 N24 O16 -","4","0.5","","Spillecke, Lena; Koo, Changhyun; Maximova, Olga; Mironov, Vladimir S.; Kopotkov, Vycheslav A.; Korchagin, Denis V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.; Klingeler, Rüdiger","Magnetic behavior of the novel pentagonal-bipyramidal erbium(iii) complex (Et3NH)[Er(H2DAPS)Cl2]: high-frequency EPR study and crystal-field analysis","Dalton Transactions","2021","","","","","10.1039/D1DT03228C","","","0.71073","MoKα","","0.0398","0.0331","","","0.0533","0.0551","","","","","","0.96","","","","has coordinates,has disorder","270992","2021-12-02","23:56:07",""
"7709001","11.0941","0.0006","11.1405","0.0007","11.2786","0.0008","60.792","0.002","63.338","0.002","65.129","0.002","1050.41","0.12","100.01","","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C19 Cl3 F15 O Si -","- C19 Cl3 F15 O Si -","- C38 Cl6 F30 O2 Si2 -","2","1","","Feige, Felix; Kögel, Julius F.; Lork, Enno; Beckmann, Jens","Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols","Dalton Transactions","2021","","","","","10.1039/D1DT03389A","","","0.71073","MoKα","","0.0377","0.0316","","","0.0848","0.0883","","","","","","1.043","","","","has coordinates","271069","2021-12-03","23:56:57",""
"7709002","9.7408","0.0006","9.8621","0.0005","11.9048","0.0006","85.373","0.002","78.198","0.002","63.964","0.002","1005.8","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 Cl4 F30 O3 Si2 -","- C38 Cl4 F30 O3 Si2 -","- C38 Cl4 F30 O3 Si2 -","1","0.5","","Feige, Felix; Kögel, Julius F.; Lork, Enno; Beckmann, Jens","Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols","Dalton Transactions","2021","","","","","10.1039/D1DT03389A","","","0.71073","MoKα","","0.0686","0.0445","","","0.096","0.1056","","","","","","1.029","","","","has coordinates,has disorder","271069","2021-12-03","23:56:57",""
"7709003","11.0814","0.0013","13.9764","0.0015","14.1905","0.0017","108.15","0.004","104.185","0.004","100.559","0.004","1942.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H4 F30 O7 Si2 -","- C38 H4 F30 O7 Si2 -","- C76 H8 F60 O14 Si4 -","2","1","","Feige, Felix; Kögel, Julius F.; Lork, Enno; Beckmann, Jens","Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols","Dalton Transactions","2021","","","","","10.1039/D1DT03389A","","","0.71073","MoKα","","0.0846","0.0621","","","0.1622","0.1825","","","","","","1.044","","","","has coordinates","271069","2021-12-03","23:56:57",""
"7709004","11.9614","0.0007","14.8057","0.0008","16.8083","0.001","90","","95.266","0.002","90","","2964.1","0.3","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H9 Cl3 F18 O Si -","- C25 H9 Cl3 F18 O Si -","- C100 H36 Cl12 F72 O4 Si4 -","4","1","","Feige, Felix; Kögel, Julius F.; Lork, Enno; Beckmann, Jens","Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols","Dalton Transactions","2021","","","","","10.1039/D1DT03389A","","","0.71073","MoKα","","0.1121","0.0644","","","0.1051","0.1193","","","","","","1.071","","","","has coordinates","271069","2021-12-03","23:56:58",""
"7709005","13.8065","0.0007","25.8702","0.001","18.0791","0.0008","90","","106.562","0.002","90","","6189.5","0.5","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H32 F36 O8 Si2 -","- C54 H32 F36 O8 Si2 -","- C216 H128 F144 O32 Si8 -","4","1","","Feige, Felix; Kögel, Julius F.; Lork, Enno; Beckmann, Jens","Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols","Dalton Transactions","2021","","","","","10.1039/D1DT03389A","","","0.71073","MoKα","","0.084","0.0597","","","0.1472","0.1611","","","","","","1.025","","","","has coordinates","271069","2021-12-03","23:56:58",""
"7709006","12.0975","0.0004","26.7831","0.0009","15.9648","0.0005","90","","101.201","0.001","90","","5074.2","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 F30 O9 Si2 -","- C48 H22 F30 O9 Si2 -","- C192 H88 F120 O36 Si8 -","4","1","","Feige, Felix; Kögel, Julius F.; Lork, Enno; Beckmann, Jens","Thermally stable polyfluorinated monoalkoxysilanetriols and dialkoxydisiloxanetetrols","Dalton Transactions","2021","","","","","10.1039/D1DT03389A","","","0.71073","MoKα","","0.0578","0.0486","","","0.1251","0.1311","","","","","","1.073","","","","has coordinates","271069","2021-12-03","23:56:58",""
"7709007","11.965","0.004","18.973","0.007","19.218","0.007","65.209","0.004","89.771","0.005","84.84","0.005","3942","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H72 Cd2 N4 O18 -","- C86 H72 Cd2 N4 O18 -","- C172 H144 Cd4 N8 O36 -","2","1","","Wang, Ning; Long, Bing-Fan; Yin, Xian-Hong; Huang, Zhong-jing; Mi, Yan; Hu, Fei-Long; Young, David James","New structurally diverse photoactive cadmium coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT03405G","","","0.71073","MoKα","","0.0606","0.0399","","","0.0964","0.1036","","","","","","0.997","","","","has coordinates","271070","2021-12-03","23:58:19",""
"7709008","13.043","0.004","13.384","0.004","14.199","0.004","74.064","0.004","72.215","0.004","67.601","0.004","2146.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H45 Cd N3 O7 -","- C48 H45 Cd N3 O7 -","- C96 H90 Cd2 N6 O14 -","2","1","","Wang, Ning; Long, Bing-Fan; Yin, Xian-Hong; Huang, Zhong-jing; Mi, Yan; Hu, Fei-Long; Young, David James","New structurally diverse photoactive cadmium coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT03405G","","","0.71073","MoKα","","0.0713","0.0456","","","0.1015","0.111","","","","","","0.943","","","","has coordinates","271070","2021-12-03","23:58:19",""
"7709009","9.429","0.003","15.414","0.005","16.217","0.007","115.643","0.005","102.658","0.005","97.542","0.004","2003.5","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H38 Cd N3 O5 -","- C47 H38 Cd N3 O5 -","- C94 H76 Cd2 N6 O10 -","2","1","","Wang, Ning; Long, Bing-Fan; Yin, Xian-Hong; Huang, Zhong-jing; Mi, Yan; Hu, Fei-Long; Young, David James","New structurally diverse photoactive cadmium coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT03405G","","","0.71073","MoKα","","0.0626","0.0444","","","0.118","0.1307","","","","","","0.955","","","","has coordinates","271070","2021-12-03","23:58:20",""
"7709010","17.048","0.004","20.48","0.005","21.658","0.005","84.527","0.004","68.213","0.003","84.856","0.004","6978","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H142 Cd2 N12 O9 -","- C164 H142 Cd2 N12 O9 -","- C328 H284 Cd4 N24 O18 -","2","1","","Wang, Ning; Long, Bing-Fan; Yin, Xian-Hong; Huang, Zhong-jing; Mi, Yan; Hu, Fei-Long; Young, David James","New structurally diverse photoactive cadmium coordination polymers","Dalton Transactions","2021","","","","","10.1039/D1DT03405G","","","0.71073","MoKα","","0.1092","0.0679","","","0.1547","0.1761","","","","","","1.081","","","","has coordinates,has disorder","271070","2021-12-03","23:58:20",""
"7709011","16.808","0.003","16.731","0.003","31.076","0.006","90","","90.186","0.004","90","","8739","3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H49 B F10 N3 -","- C43 H42 B F10 N3 -","- C344 H336 B8 F80 N24 -","8","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","x-ray","0.71073","MoKα","","0.2214","0.085","","","0.1748","0.2077","","","","","","0.95","","","","has coordinates","271071","2021-12-04","00:00:16",""
"7709012","8.8271","0.0007","11.0748","0.0008","14.0033","0.0009","103.662","0.002","107.548","0.002","100.309","0.002","1221.19","0.16","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H16 B F10 N -","- C29 H16 B F10 N -","- C58 H32 B2 F20 N2 -","2","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","x-ray","0.71073","MoKα","","0.0767","0.0446","","","0.1037","0.1169","","","","","","1.035","","","","has coordinates","271071","2021-12-04","00:00:16",""
"7709013","14.684","0.006","12.759","0.006","19.053","0.008","90","","99.678","0.009","90","","3519","3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B F10 N2 -","- C38 H33 B F10 N2 -","- C152 H132 B4 F40 N8 -","4","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","x-ray","0.71073","MoKα","","0.221","0.0846","","","0.1723","0.2132","","","","","","0.897","","","","has coordinates","271071","2021-12-04","00:00:16",""
"7709014","28.371","0.003","8.6644","0.0009","22.055","0.002","90","","90","","90","","5421.5","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C232 H192 B8 F80 N8 -","8","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","x-ray","0.71073","MoKα","","0.1574","0.0682","","","0.1128","0.1306","","","","","","1.02","","","","has coordinates","271071","2021-12-04","00:00:17",""
"7709015","9.2344","0.0008","18.7674","0.0016","20.7528","0.0019","90","","100.808","0.003","90","","3532.8","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 B F10 N3 -","- C39 H34 B F10 N3 -","- C156 H136 B4 F40 N12 -","4","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","x-ray","0.71073","MoKα","","0.189","0.0656","","","0.1146","0.1454","","","","","","1","","","","has coordinates","271071","2021-12-04","00:00:17",""
"7709016","12.158","0.003","24.328","0.005","15.731","0.004","90","","99.003","0.006","90","","4595.6","1.9","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 B Cl2 F10 N3 -","- C47 H42 B F10 N3 -","- C188 H168 B4 F40 N12 -","4","1","","Zhou, Haiyu; Wang, Jingjing; Meng, Yuxuan; Liu, Fei; Wang, Tongdao","Formation of cyclic (boryl)iminomethane derivatives by insertion of isocyanides into the boron-carbon bond","Dalton Transactions","2021","","","","","10.1039/D1DT03884B","","","0.71073","MoKα","","0.0564","0.0402","","","0.1052","0.1106","","","","","","1.105","","","","has coordinates","271071","2021-12-04","00:00:17",""
"7709017","16.808","0.003","16.731","0.003","31.076","0.006","90","","90.186","0.004","90","","8739","3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H49 B F10 N3 -","- C43 H42 B F10 N3 -","- C344 H336 B8 F80 N24 -","8","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","x-ray","0.71073","MoKα","","0.2214","0.085","","","0.1748","0.2077","","","","","","0.95","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709018","8.8271","0.0007","11.0748","0.0008","14.0033","0.0009","103.662","0.002","107.548","0.002","100.309","0.002","1221.19","0.16","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H16 B F10 N -","- C29 H16 B F10 N -","- C58 H32 B2 F20 N2 -","2","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","x-ray","0.71073","MoKα","","0.0767","0.0446","","","0.1037","0.1169","","","","","","1.035","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709019","14.684","0.006","12.759","0.006","19.053","0.008","90","","99.678","0.009","90","","3519","3","150.15","","150.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H33 B F10 N2 -","- C38 H33 B F10 N2 -","- C152 H132 B4 F40 N8 -","4","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","x-ray","0.71073","MoKα","","0.221","0.0846","","","0.1723","0.2132","","","","","","0.897","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709020","28.371","0.003","8.6644","0.0009","22.055","0.002","90","","90","","90","","5421.5","0.9","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C232 H192 B8 F80 N8 -","8","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","x-ray","0.71073","MoKα","","0.1574","0.0682","","","0.1128","0.1306","","","","","","1.02","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709021","9.2344","0.0008","18.7674","0.0016","20.7528","0.0019","90","","100.808","0.003","90","","3532.8","0.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 B F10 N3 -","- C39 H34 B F10 N3 -","- C156 H136 B4 F40 N12 -","4","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","x-ray","0.71073","MoKα","","0.189","0.0656","","","0.1146","0.1454","","","","","","1","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709022","12.158","0.003","24.328","0.005","15.731","0.004","90","","99.003","0.006","90","","4595.6","1.9","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 B Cl2 F10 N3 -","- C47 H42 B F10 N3 -","- C188 H168 B4 F40 N12 -","4","1","","Artem'ev, Alexander; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu.","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: speeding-up emission rate using arsine ligands","Dalton Transactions","2021","","","","","10.1039/D1DT03759E","","","0.71073","MoKα","","0.0564","0.0402","","","0.1052","0.1106","","","","","","1.105","","","","has coordinates","271072","2021-12-04","00:02:59",""
"7709023","5.9687","0.0004","29.7669","0.0018","9.4108","0.0005","90","","125.569","0.003","90","","1360.04","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cu3 O14 -","- C28 H22 Cu3 O14 -","- C56 H44 Cu6 O28 -","2","0.5","","Zhang, Xiao-Sa; Zhao, Hong-Tian; Liu, Yu; Li, Wen-Ze; Yang, Ai-Ai; Luan, Jian","Cu–Organic framework-derived V-doped carbon nanostructures for organic dye removal","Dalton Transactions","2021","","","","","10.1039/D1DT03450B","","","0.71073","MoKα","","0.067","0.0436","","","0.1012","0.1142","","","","","","1.031","","","","has coordinates,has disorder","271073","2021-12-04","00:03:52",""
"7709024","15.6793","0.0011","12.7012","0.0006","15.9435","0.0011","90","","110.255","0.008","90","","2978.7","0.4","140","0.4","140","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H31 Au N2 -","- C40 H31 Au N2 -","- C160 H124 Au4 N8 -","4","1","","Romanov, Alexander S.; Linnolahti, Mikko; Bochmann, Manfred","Synthesis and photophysical properties of linear gold(I) complexes based on a CCC carbene.","Dalton transactions (Cambridge, England : 2003)","2021","50","46","17156","17164","10.1039/d1dt03393j","","","0.71073","MoKα","","0.036","0.0253","","","0.0563","0.0597","","","","","","0.988","","","","has coordinates","271118","2021-12-05","08:03:24",""
"7709025","22.12","0.004","22.12","0.004","38.202","0.008","90","","90","","120","","16188","5","296","","296.15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C72 H64 N7 O35 Tm4 -","- C57 H25 N2 O26 Tm4 -","- C342 H150 N12 O156 Tm24 -","6","0.25","","Chen, Hongtai; Zhang, Zhengguo; Hongxiao, Lv; Liu, Shurong; Zhang, Xiutang","Investigation on the Catalytic Behavior of one Novel Thulium-Organic Framework with Planar Tetranuclear {Tm4} Cluster as Active Center for Chemical CO2 Fixation","Dalton Transactions","2021","","","","","10.1039/D1DT03646G","","","0.71073","MoKα","","0.0497","0.0379","","","0.0969","0.1044","","","","","","1.07","","","","has coordinates,has disorder","271145","2021-12-07","00:00:46",""
"7709026","19.5718","0.0003","19.5718","0.0003","28.7483","0.0007","90","","90","","120","","9536.8","0.3","300","1","300","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0638","0.049","","","0.1211","0.1308","","","","","","1.042","","","","has coordinates,has disorder","271146","2021-12-07","00:02:03",""
"7709027","19.5869","0.0003","19.5869","0.0003","19.0349","0.0006","90","","90","","120","","6324.3","0.2","280","1","280","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","1.54184","CuKα","","0.1691","0.1022","","","0.2455","0.2975","","","","","","1.262","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709028","19.3002","0.0004","19.3002","0.0004","28.2386","0.0009","90","","90","","120","","9109.6","0.4","14","1","14","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0505","0.0486","","","0.1267","0.1289","","","","","","1.055","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709029","19.0423","0.0001","19.0423","0.0001","19.1734","0.0002","90","","90","","120","","6021","0.08","100","1","100","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","1.54184","CuKα","","0.0878","0.0787","","","0.2153","0.2327","","","","","","1.047","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709030","19.05","0.0002","19.05","0.0002","19.0504","0.0004","90","","90","","120","","5987.21","0.15","14","1","14","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.135","0.1024","","","0.2736","0.3122","","","","","","1.027","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709031","19.4504","0.0003","19.4504","0.0003","18.729","0.0004","90","","90","","120","","6136.24","0.19","14","1","14","1","","","","","","","","7","P 63","P 6c","173","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C156 H216 F36 Fe6 N108 O36 S12 -","6","1","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.1678","0.1049","","","0.2744","0.344","","","","","","1.022","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709032","18.9537","0.0003","18.9537","0.0003","28.4241","0.0006","90","","90","","120","","8843.1","0.3","14","1","14","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0428","0.0414","","","0.1078","0.1093","","","","","","1.043","","","","has coordinates,has disorder","271146","2021-12-07","00:02:04",""
"7709033","19.0003","0.0002","19.0003","0.0002","28.6098","0.0005","90","","90","","120","","8944.7","0.2","100","1","100","1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C26 H36 F6 Fe N18 O6 S2 -","- C26 H36 F6 Fe N18 O6 S2 -","- C234 H324 F54 Fe9 N162 O54 S18 -","9","0.5","","Bronisz, Robert; Książek, Maria; Kusz, Joachim; Weselski, Marek Damian","Single crystal-to-single crystal transformation – from two distinct to three distinct spin crossover centers in 2D coordination polymer [Fe(bbtr)3](CF3SO3)2","Dalton Transactions","2021","","","","","10.1039/D1DT03578A","","","0.71073","MoKα","","0.0242","0.0231","","","0.0552","0.0557","","","","","","1.047","","","","has coordinates,has disorder","271146","2021-12-07","00:02:05",""
"7709034","20.057","0.0011","7.8629","0.0004","19.9257","0.0012","90","","90","","90","","3142.4","0.3","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H20 B10 -","- C11 H20 B10 -","- C88 H160 B80 -","8","2","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","1.54178","CuKα","","0.093","0.0737","","","0.1893","0.206","","","","","","1.043","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709035","17.9505","0.0015","7.2031","0.0006","17.2814","0.0014","90","","116.825","0.004","90","","1994","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 B10 Si -","- C13 H26 B10 Si -","- C52 H104 B40 Si4 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","0.71073","MoKα","","0.0592","0.0443","","","0.1234","0.1387","","","","","","1.054","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709036","11.7028","0.0005","11.9322","0.0006","12.0721","0.0006","90","","90","","90","","1685.75","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B10 -","- C12 H22 B10 -","- C48 H88 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","0.71073","MoKα","","0.0965","0.0782","","","0.214","0.2315","","","","","","1.054","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709037","21.065","0.0008","8.0636","0.0004","11.9021","0.0006","90","","90","","90","","2021.69","0.16","299","2","299","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H24 B10 -","- C17 H24 B10 -","- C68 H96 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","0.71073","MoKα","","0.0837","0.057","","","0.1419","0.1583","","","","","","1.066","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709038","15.8285","0.0003","10.1903","0.0009","9.1832","0.0003","90","","90.062","0.004","90","","1481.22","0.14","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H13 Ce N2 O9 -","- C11 H13 Ce N2 O9 -","- C44 H52 Ce4 N8 O36 -","4","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.0178","0.0169","","","0.0357","0.0363","","","","","","1.058","","","","has coordinates,has disorder","272651","2022-02-04","19:31:51",""
"7709039","3.42187","0.00008","16.9689","0.0004","15.1988","0.0004","90","","91.59","0.002","90","","882.18","0.04","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H2 N Na3 O6 -","- C8 H2 N Na3 O6 -","- C32 H8 N4 Na12 O24 -","4","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.0234","0.0229","","","0.0631","0.0635","","","","","","1.122","","","","has coordinates","272651","2022-02-04","19:31:53",""
"7709040","6.79808","0.00015","12.0497","0.0003","13.5329","0.0003","90","","100.334","0.002","90","","1090.56","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ce N O9.5 -","- C8 H6 Ce N O9.5 -","- C32 H24 Ce4 N4 O38 -","4","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.054","0.0467","","","0.0892","0.0914","","","","","","1.335","","","","has coordinates,has disorder","272651","2022-02-04","19:31:53",""
"7709041","6.70661","0.00009","9.44049","0.00014","17.0698","0.0002","90","","92.4339","0.0012","90","","1079.78","0.03","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H16 Ce2 N2 O18 -","- C16 H16 Ce2 N2 O18 -","- C32 H32 Ce4 N4 O36 -","2","1","","Fonseca de Lima, Juliana; Moreno, Fernanda V. S.; Menezes, Bruno A. T.; da Silva Barbosa, Jader; Waddington, Matthew C.; Franklin, Siân A; Clarkson, Guy J.; Walker, Marc; Serra, Osvaldo A.; Walton, Richard I.","Investigation of the preparation and reactivity of metal-organic frameworks of cerium and pyridine-2,4,6-tricarboxylate.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","145","155","10.1039/d1dt03514b","","x-ray","0.71073","MoKα","","0.0228","0.0211","","","0.0427","0.0437","","","","","","1.043","","","","has coordinates","272651","2022-02-04","19:31:53",""
"7709050","7.0033","0.0003","10.8941","0.0003","25.6059","0.0009","90","","97.242","0.004","90","","1938.01","0.12","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 B Cu F4 N7 O2 S -","- C11 H20 B Cu F4 N7 O2 S -","- C44 H80 B4 Cu4 F16 N28 O8 S4 -","4","1","","Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar","Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","185","196","10.1039/d1dt03169d","","","0.71073","MoKα","","0.0471","0.0388","","","0.1062","0.111","","","","","","1.157","","","","has coordinates,has disorder","272659","2022-02-04","19:34:13",""
"7709051","9.6427","0.0005","10.8396","0.0005","10.8617","0.0008","106.971","0.005","103.497","0.005","112.469","0.005","923.85","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H40 Mn2 N20 O4 S2 -","- C22 H40 Mn2 N20 O4 S2 -","- C22 H40 Mn2 N20 O4 S2 -","1","0.5","","Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar","Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","185","196","10.1039/d1dt03169d","","","0.71073","MoKα","","0.052","0.0371","","","0.0862","0.0982","","","","","","1.072","","","","has coordinates","272659","2022-02-04","19:34:14",""
"7709052","13.0826","0.001","10.2506","0.0007","13.1685","0.0013","90","","111.237","0.01","90","","1646","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N10 O S Zn -","- C10 H16 N10 O S Zn -","- C40 H64 N40 O4 S4 Zn4 -","4","1","","Stevanović, Nevena; Zlatar, Matija; Novaković, Irena; Pevec, Andrej; Radanović, Dušanka; Matić, Ivana Z; Đorđić Crnogorac, Marija; Stanojković, Tatjana; Vujčić, Miroslava; Gruden, Maja; Sladić, Dušan; Anđelković, Katarina; Turel, Iztok; Čobeljić, Božidar","Cu(II), Mn(II) and Zn(II) complexes of hydrazones with a quaternary ammonium moiety: synthesis, experimental and theoretical characterization and cytotoxic activity.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","185","196","10.1039/d1dt03169d","","","0.71073","MoKα","","0.084","0.0481","","","0.1047","0.123","","","","","","1.084","","","","has coordinates","272659","2022-02-04","19:34:14",""
"7709053","15.4667","0.0003","26.7576","0.0004","16.1721","0.0004","90","","113.181","0.002","90","","6152.5","0.2","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C174 H266 Cl12 Dy12 N36 O53 -","- C174 H266 Cl12 Dy12 N36 O53 -","- C174 H266 Cl12 Dy12 N36 O53 -","1","0.25","","Li, Yun-Lan; Wang, Hai-Ling; Zhu, Zhong-Hong; Li, Juan; Zou, Hua-Hong; Peng, Jin-Mei; Liang, Fu-Pei","Truncation reaction regulates the out-to-in growth mechanism to decrypt the formation of brucite-like dysprosium clusters.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","197","202","10.1039/d1dt03137f","","x-ray","0.71073","MoKα","","0.0512","0.0392","","","0.1133","0.1233","","","","","","1.055","","","","has coordinates,has disorder","272656","2022-02-04","19:33:14",""
"7709054","31.8024","0.0005","31.8024","0.0005","32.0143","0.0007","90","","90","","120","","28041.1","0.9","100","0.1","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C64 H116.69 Cl2.36 Dy8 N13.65 O41.95 -","- C51 H63.276 Cl2.72 Dy7.997 N13.722 O28.724 -","- C612 H759.312 Cl32.64 Dy95.964 N164.664 O344.688 -","12","0.333333","","Li, Yun-Lan; Wang, Hai-Ling; Zhu, Zhong-Hong; Li, Juan; Zou, Hua-Hong; Peng, Jin-Mei; Liang, Fu-Pei","Truncation reaction regulates the out-to-in growth mechanism to decrypt the formation of brucite-like dysprosium clusters.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","197","202","10.1039/d1dt03137f","","","0.71073","MoKα","","0.0506","0.0392","","","0.0981","0.1085","","","","","","1.102","","","","has coordinates,has disorder","272656","2022-02-04","19:33:18",""
"7709055","24.1218","0.0004","19.51008","0.00019","22.0893","0.0003","90","","105.454","0.0018","90","","10019.8","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C260 H388 Cl8 Dy28 N74 O157 -","- C248 H336 Cl8 Dy28 N68 O140 -","- C248 H336 Cl8 Dy28 N68 O140 -","1","0.125","","Li, Yun-Lan; Wang, Hai-Ling; Zhu, Zhong-Hong; Li, Juan; Zou, Hua-Hong; Peng, Jin-Mei; Liang, Fu-Pei","Truncation reaction regulates the out-to-in growth mechanism to decrypt the formation of brucite-like dysprosium clusters.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","197","202","10.1039/d1dt03137f","","x-ray","1.54184","CuKα","","0.0662","0.0513","","","0.1269","0.1357","","","","","","1.016","","","","has coordinates","272656","2022-02-04","19:33:19",""
"7709063","37.9184","0.0011","37.9184","0.0011","16.6172","0.0009","90","","90","","120","","20691.3","1.4","98","2","98","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C226.14 H158.58 Br24 Cl18.52 N24 Zn12 -","- C226.14 H158.58 Br24 Cl18.522 N24 Zn12 -","- C678.42 H475.74 Br72 Cl55.566 N72 Zn36 -","3","0.166667","","Martí-Rujas, Javier; Elli, Stefano; Sacchetti, Alessandro; Castiglione, Franca","Mechanochemical synthesis of mechanical bonds in M12L8 poly-[<i>n</i>]-catenanes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","53","58","10.1039/d1dt03158a","","","1.54178","CuKα","","0.0902","0.0744","","","0.2165","0.2266","","","","","","1.065","","","","has coordinates,has disorder","272645","2022-02-04","19:30:17",""
"7709067","9.4887","0.0003","9.8037","0.0003","16.3209","0.0005","84.437","0.001","83.024","0.001","74.776","0.001","1450.76","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","(1,1,2,2,2,3-hexacarbonyl)-(1-?5-cyclopentadienyl)-?3-[1,2-?1,?1,3-?2-(phenyl)ethenylidene]-(tri-ethyl phosphite-3κP)–rhenium–iron–platinum(Fe–Re, Fe–Pt)","","- C25 H26 Fe O9 P Pt Re -","- C25 H26 Fe O9 P Pt Re -","- C50 H52 Fe2 O18 P2 Pt2 Re2 -","2","1","","Verpekin, Victor V.; Chudin, Oleg S.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Shor, Aleksey M.; Burmakina, Galina V.; Zimonin, Dmitry V.; Maksimov, Nikolai G.; Rubaylo, Anatoly I.","Trinuclear ReFePt clusters with a μ<sub>3</sub>-phenylvinylidene ligand: synthetic approaches, rearrangement of vinylidene, and redox-induced transformations.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","324","339","10.1039/d1dt03750a","","","0.71073","MoKα","","0.0625","0.0441","","","0.1026","0.113","","","","","","0.954","","","","has coordinates","272642","2022-02-04","19:29:43",""
"7709068","11.753","0.0003","20.1543","0.0005","16.4212","0.0004","90","","106.649","0.001","90","","3726.68","0.16","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1,1,2,2,2,3-hexacarbonyl)-(1-?5-cyclopentadienyl)-?3-[1,2-?1,?1,3-?2-(phenyl)ethenylidene]-(tri-ethyl phosphite-3κP)–rhenium–iron–platinum(Fe–Re, Fe–Pt)","","- C30 H41 Fe O11 P2 Pt Re -","- C30 H36 Fe O11 P2 Pt Re -","- C120 H144 Fe4 O44 P8 Pt4 Re4 -","4","1","","Verpekin, Victor V.; Chudin, Oleg S.; Vasiliev, Alexander D.; Kondrasenko, Alexander A.; Shor, Aleksey M.; Burmakina, Galina V.; Zimonin, Dmitry V.; Maksimov, Nikolai G.; Rubaylo, Anatoly I.","Trinuclear ReFePt clusters with a μ<sub>3</sub>-phenylvinylidene ligand: synthetic approaches, rearrangement of vinylidene, and redox-induced transformations.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","324","339","10.1039/d1dt03750a","","","0.71073","MoKα","","0.0738","0.0466","","","0.1026","0.1137","","","","","","1.029","","","","has coordinates","272642","2022-02-04","19:29:44",""
"7709104","6.585","0.0003","17.7646","0.0007","12.3972","0.0005","90","","104.506","0.004","90","","1403.99","0.1","235","30","235","30","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 H22 As N9 O6 -","- C3 H22 As N9 O6 -","- C12 H88 As4 N36 O24 -","4","1","","Wang, Dongmei; Wei, Zhuangzhuang; Bai, Zhiyong; Liu, Lehui; Lin, Zhoubin; Zhang, Lizhen","Hybrid organic-inorganic triguanidine arsenate dihydrate for ultraviolet nonlinear optical application","Dalton Transactions","2021","","","","","10.1039/D1DT03323A","","x-ray","1.3405","GaKα","","0.0188","0.0183","","","0.0431","0.0433","","","","","","1.013","","","","has coordinates","271456","2021-12-16","00:03:28",""
"7709127","18.4026","0.0004","29.9073","0.0005","16.2508","0.0003","90","","107.605","0.002","90","","8525.1","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H69 Cu3 F18 N9 O26.77 S6 -","- C57 H69 Cu3 F18 N9 O26.773 S6 -","- C228 H276 Cu12 F72 N36 O107.092 S24 -","4","1","","Smits, Nicole; Rademaker, Dana; Konovalov, Andrey; Siegler, Maxime; Hetterscheid, Dennis","Influence of the Spatial Distribution of Copper Sites on the Selectivity of the Oxygen Reduction Reaction","Dalton Transactions","2021","","","","","10.1039/D1DT03296H","","","1.54178","CuKα","","0.0774","0.0544","","","0.1324","0.1469","","","","","","1.014","","","","has coordinates,has disorder","271568","2021-12-21","23:59:19",""
"7709206","9.22","0.003","11.284","0.004","16.043","0.005","90","","96.547","0.013","90","","1658.2","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of Cu(I) chloride with bis(2-pyridyl)phenylarsine","","- C16 H13 As Br Cu N2 -","- C16 H13 As Br Cu N2 -","- C64 H52 As4 Br4 Cu4 N8 -","4","1","","Artem'ev, Alexander V.; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: a speeding-up emission rate using arsine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03759e","","","0.71073","MoKα","","0.0467","0.0336","","","0.0833","0.0894","","","","","","1.07","","","","has coordinates","271658","2022-01-01","00:50:12",""
"7709207","9.0573","0.0011","9.1282","0.001","20.279","0.003","86.324","0.004","87.224","0.005","87.348","0.004","1669.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Complex of Cu(I) iodide with bis(2-pyridyl)phenylarsine","","- C32 H26 As2 Cu2 I2 N4 -","- C32 H26 As2 Cu2 I2 N4 -","- C64 H52 As4 Cu4 I4 N8 -","2","1","","Artem'ev, Alexander V.; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: a speeding-up emission rate using arsine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03759e","","","0.71073","MoKα","","0.055","0.0434","","","0.1153","0.1242","","","","","","0.715","","","","has coordinates","271658","2022-01-01","00:50:13",""
"7709208","8.9008","0.0012","9.7467","0.0016","22.795","0.004","90","","91.882","0.005","90","","1976.5","0.5","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Complex of Cu(I) tetrafluoroborate with bis(2-pyridyl)phenylarsine","","- C36 H32 As2 B2 Cu2 F8 N6 -","- C36 H32 As2 B2 Cu2 F8 N6 -","- C72 H64 As4 B4 Cu4 F16 N12 -","2","0.5","","Artem'ev, Alexander V.; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: a speeding-up emission rate using arsine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03759e","","","0.71073","MoKα","","0.0895","0.0474","","","0.0977","0.1142","","","","","","1.023","","","","has coordinates,has disorder","271658","2022-01-01","00:50:14",""
"7709209","9.2247","0.0019","9.2436","0.0018","18.964","0.004","90","","99.668","0.009","90","","1594.1","0.6","299","2","299","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Complex of Cu(I) bromide with bis(2-pyridyl)phenylarsine","","- C32 H26 As2 Cl2 Cu2 N4 -","- C32 H26 As2 Cl2 Cu2 N4 -","- C64 H52 As4 Cl4 Cu4 N8 -","2","0.5","","Artem'ev, Alexander V.; Demyanov, Yan V.; Rakhmanova, Marianna I.; Bagryanskaya, Irina Yu","Pyridylarsine-based Cu(I) complexes showing TADF mixed with fast phosphorescence: a speeding-up emission rate using arsine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03759e","","","0.71073","MoKα","","0.1461","0.0836","","","0.1745","0.1996","","","","","","1.115","","","","has coordinates","271658","2022-01-01","00:50:14",""
"7709217","15.993","0.008","9.445","0.005","24.337","0.011","90","","105.061","0.01","90","","3550","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H35 B2 Co F38 N20 O -","- C62 H35 B2 Co F38 N20 O -","- C124 H70 B4 Co2 F76 N40 O2 -","2","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.0802","0.0574","","","0.1321","0.1435","","","","","","1.009","","","","has coordinates,has disorder","271809","2022-01-05","04:43:19",""
"7709218","24.6532","0.0005","24.4358","0.0005","11.6193","0.0002","90","","105.695","0.001","90","","6738.7","0.2","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H41.62 B1.96 Co F27.95 N20 -","- C60 H41.6 B1.958 Co F27.944 N20 -","- C240 H166.4 B7.832 Co4 F111.776 N80 -","4","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.0634","0.0598","","","0.1615","0.1647","","","","","","1.137","","","","has coordinates,has disorder","271809","2022-01-05","04:43:20",""
"7709219","15.8479","0.0011","9.392","0.0008","24.1324","0.0019","90","","104.601","0.003","90","","3475.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H30 B2 Co F38 N20 -","- C60 H30 B2 Co F38 N20 -","- C120 H60 B4 Co2 F76 N40 -","2","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.0542","0.0373","","","0.0814","0.0882","","","","","","1.036","","","","has coordinates,has disorder","271809","2022-01-05","04:43:21",""
"7709220","16.13","0.02","9.291","0.011","24.27","0.03","90","","105.05","0.02","90","","3512","7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H17 B Co0.5 F19 N10 O0.5 -","- C30.5 H17 B Co0.5 F19 N10 O0.5 -","- C122 H68 B4 Co2 F76 N40 O2 -","4","1","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.071","0.0496","","","0.1034","0.1109","","","","","","1.147","","","","has coordinates","271809","2022-01-05","04:43:21",""
"7709221","11.92498","0.0001","25.4211","0.0002","23.36412","0.0002","90","","99.6857","0.0008","90","","6981.78","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H50 B2 Co F26 N20 O2 -","- C60 H42 B2 Co F26 N20 -","- C240 H168 B8 Co4 F104 N80 -","4","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","1.54184","CuKα","","0.0464","0.0408","","","0.1087","0.1122","","","","","","1.021","","","","has coordinates,has disorder","271809","2022-01-05","04:43:21",""
"7709222","16.2429","0.0009","9.3972","0.0005","24.0242","0.0012","90","","105.545","0.002","90","","3532.9","0.3","100","2","100.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H30 B2 F38 Fe N20 -","- C60 H30 B2 F38 Fe N20 -","- C120 H60 B4 F76 Fe2 N40 -","2","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.0957","0.064","","","0.1843","0.2179","","","","","","0.71","","","","has coordinates","271809","2022-01-05","04:43:21",""
"7709223","11.7351","0.001","18.92","0.002","19.26","0.002","68.474","0.004","80.359","0.003","86.509","0.003","3921.8","0.7","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C142 H85 B4 Co2 F79 N40 O -","- C142 H85 B4 Co2 F79 N40 O -","- C142 H85 B4 Co2 F79 N40 O -","1","0.5","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.0713","0.049","","","0.1099","0.1236","","","","","","1.041","","","","has coordinates,has disorder","271809","2022-01-05","04:43:21",""
"7709224","11.6982","0.001","18.9258","0.0013","19.4058","0.0016","68.616","0.002","80.878","0.003","86.182","0.003","3949.9","0.5","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C72.05 H46 B2 Co F38 N20 O0.65 -","- C72.05 H46 B2 Co F38 N20 O0.65 -","- C144.1 H92 B4 Co2 F76 N40 O1.3 -","2","1","","Nößler, Maite; Hunger, David; Reichert, Felix; Winkler, Mario; Reimann, Marc; Klein, Johannes; Suhr, Simon; Suntrup, Lisa; Beerhues, Julia; Kaupp, Martin; van Slageren, Joris; Sarkar, Biprajit","Spin-state control of cobalt(II) and iron(II) complexes with click-derived tripodal ligands through non-covalent and fluorine-specific interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","48","18097","18106","10.1039/d1dt03535e","","","0.71073","MoKα","","0.1008","0.065","","","0.1389","0.1598","","","","","","1.0882","","","","has coordinates,has disorder","271809","2022-01-05","04:43:21",""
"8000473","13.7963","0.0005","12.6757","0.0004","13.3735","0.0005","90","","98.305","0.0012","90","","2314.2","0.14","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 3","7,12-dicyano-3,16-dimethoxyheptahelicene","","- C34 H20 N2 O2 -","- C34 H20 N2 O2 -","- C136 H80 N8 O8 -","4","0.5","","Kubo, Hiromu; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Hasegawa, Jun-Ya; Matsuda, Kenji","Tuning Transition Electric and Magnetic Dipole Moments: [7]Helicenes Showing Intense Circularly Polarized Luminescence.","The journal of physical chemistry letters","2021","12","1","686","695","10.1021/acs.jpclett.0c03174","","","0.71075","MoKα","","0.0414","0.039","","","0.1092","0.1117","","","","","","1.038","","","","has coordinates","261494","2021-02-04","03:02:30",""
"8000474","6.9687","0.0002","29.4628","0.0009","9.8722","0.0004","90","","96.084","0.001","90","","2015.52","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C96 H100 N12 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0653","0.0464","","","0.1146","0.1316","","","","","","1.041","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000475","17.7928","0.0005","6.5327","0.0002","24.6135","0.0007","90","","98.498","0.001","90","","2829.54","0.14","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0691","0.0449","","","0.101","0.1173","","","","","","1.047","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000476","11.3082","0.0005","24.3551","0.001","11.4415","0.0005","90","","114.665","0.001","90","","2863.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C144 H128 N16 O4 -","4","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0833","0.0512","","","0.1133","0.1317","","","","","","1.048","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000477","12.6111","0.0005","7.5598","0.0003","15.0851","0.0006","90","","100.886","0.001","90","","1412.29","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N4 O -","- C36 H32 N4 O -","- C72 H64 N8 O2 -","2","1","","Wang, Dan; Xie, Yufeng; Wu, Xinghui; Lei, Yunxiang; Zhou, Yunbing; Cai, Zhengxu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Excitation-Dependent Triplet-Singlet Intensity from Organic Host-Guest Materials: Tunable Color, White-Light Emission, and Room-Temperature Phosphorescence.","The journal of physical chemistry letters","2021","12","7","1814","1821","10.1021/acs.jpclett.1c00188","","","0.71073","MoKα","","0.0469","0.0379","","","0.091","0.0981","","","","","","1.053","","","","has coordinates","262449","2021-03-04","02:55:53",""
"8000478","17.1753","0.001","10.1401","0.0006","17.1948","0.001","90","","119.018","0.0013","90","","2618.7","0.3","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl6 F N3 O4 Sn -","- C19 H26 Cl6 F N3 O4 Sn -","- C76 H104 Cl24 F4 N12 O16 Sn4 -","4","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.0966","0.0698","","","0.1324","0.1428","","","","","","1.088","","","","has coordinates","262451","2021-03-04","02:56:27",""
"8000479","8.0389","0.001","20.632","0.002","17.359","0.002","90","","101.95","0.002","90","","2816.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl6 F N3 O4 Pb2 -","- C19 H26 Cl6 F N3 O4 Pb2 -","- C76 H104 Cl24 F4 N12 O16 Pb8 -","4","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.0713","0.0464","","","0.1066","0.1211","","","","","","1.012","","","","has coordinates","262451","2021-03-04","02:56:30",""
"8000480","7.987","0.003","14.188","0.005","14.544","0.005","70.746","0.008","89.925","0.009","76.317","0.009","1506.5","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H22 Bi Cl6 F N3 O6 -","- C19 H28 Bi Cl6 F N3 O6 -","- C38 H56 Bi2 Cl12 F2 N6 O12 -","2","1","","Su, Binbin; Song, Gaomin; Molokeev, Maxim S.; Golovnev, Nicolay N.; Lesnikov, Maxim K.; Lin, Zheshuai; Xia, Zhiguo","Role of Metal-Chloride Anions in Photoluminescence Regulations for Hybrid Metal Halides.","The journal of physical chemistry letters","2021","12","7","1918","1925","10.1021/acs.jpclett.1c00182","","","0.71073","MoKα","","0.1163","0.0625","","","0.1503","0.1804","","","","","","0.896","","","","has coordinates","262451","2021-03-04","02:56:32",""
"8000481","4.8681","0.0006","7.9922","0.0009","37.653","0.005","90","","92.913","0.007","90","","1463.1","0.3","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H14 F10 N4 O4 -","- C38 H14 F10 N4 O4 -","- C76 H28 F20 N8 O8 -","2","0.5","","Kumagai, Shohei; Yu, Craig P.; Nakano, Shunsuke; Annaka, Tatsuro; Mitani, Masato; Yano, Masafumi; Ishii, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro","Role of Perfluorophenyl Group in the Side Chain of Small-Molecule n-Type Organic Semiconductors in Stress Stability of Single-Crystal Transistors","The Journal of Physical Chemistry Letters","2021","","","2095","2101","10.1021/acs.jpclett.0c03012","","","1.54187","CuKα","","0.2389","0.0802","","","0.1719","0.2429","","","","","","0.923","","","","has coordinates","262200","2021-02-25","00:27:37",""
"8000482","29.026","0.004","6.5085","0.0009","22.952","0.003","90","","116.776","0.004","90","","3871.1","0.9","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H60 Ag4 S4 -","- C40 H60 Ag4 S4 -","- C160 H240 Ag16 S16 -","4","0.5","","Das, Anish Kumar; Maity, Subarna; Sengupta, Turbasu; Bista, Dinesh; Reber, Arthur C.; Patra, Amitava; Khanna, Shiv N.; Mandal, Sukhendu","One-Dimensional Silver-Thiolate Cluster-Assembly: Effect of Argentophilic Interactions on Excited-State Dynamics.","The journal of physical chemistry letters","2021","","","2154","2159","10.1021/acs.jpclett.0c03728","","","0.71073","MoKα","","0.0381","0.0283","","","0.059","0.0635","","","","","","1.041","","","","has coordinates","262243","2021-02-26","00:31:16",""
"8000483","18.589","0.004","7.6364","0.0016","13.203","0.003","90","","90","","90","","1874.2","0.7","296","2","296.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Bi Cl Cs -","- Bi0.444444 Cl2 Cs0.666667 -","- Bi8 Cl36 Cs12 -","18","2.25","","Tailor, Naveen Kumar; Maity, Partha; Saidaminov, Makhsud I.; Pradhan, Narayan; Satapathi, Soumitra","Dark Self-Healing-Mediated Negative Photoconductivity of a Lead-Free Cs<sub>3</sub>Bi<sub>2</sub>Cl<sub>9</sub> Perovskite Single Crystal.","The journal of physical chemistry letters","2021","12","9","2286","2292","10.1021/acs.jpclett.1c00057","","","0.71073","MoKα","","0.1152","0.0875","","","0.2531","0.2755","","","","","","1.09","","","","has coordinates","263604","2021-04-04","10:03:57",""
"8000484","16.9314","0.0009","11.7303","0.0012","41.194","0.0008","90","","90","","90","","8181.6","1","","","","","","","","","","","","5","P 1","P 1","1","","","","- C H6 Br3 N Pb -","- C10.1674 H60 Br30 N10.1674 Pb17.25 -","- C40.6694 H240 Br120 N40.6694 Pb69 -","4","4","","Wiedemann, Dennis; Breternitz, Joachim; Paley, Daniel W.; Schorr, Susan","Hybrid Perovskite at Full Tilt: Structure and Symmetry Relations of the Incommensurately Modulated Phase of Methylammonium Lead Bromide, MAPbBr<sub>3</sub>.","The journal of physical chemistry letters","2021","12","9","2358","2362","10.1021/acs.jpclett.0c03722","","","","","","","","","","","","","","","","","","","","","has coordinates","263603","2021-04-04","10:03:51",""
"8000485","9.43162","0.00016","11.06107","0.00018","17.6072","0.0003","90","","94.7508","0.0016","90","","1830.54","0.05","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0543","0.0449","","","0.1208","0.1296","","","","","","1.039","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000486","9.39192","0.00017","16.751","0.0003","12.0917","0.0002","90","","106.29","0.002","90","","1825.95","0.06","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0441","0.0376","","","0.1043","0.1098","","","","","","1.07","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000487","10.2793","0.0002","13.5906","0.0003","13.2253","0.0003","90","","102.19","0.002","90","","1805.94","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C100 H64 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.0472","0.0388","","","0.1003","0.1072","","","","","","1.033","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000488","31.8745","0.0012","31.8745","0.0012","10.1687","0.0005","90","","90","","120","","8947.1","0.6","290","2","290","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C25 H16 N2 -","- C25 H16 N2 -","- C450 H288 N36 -","18","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.082","0.0477","","","0.1132","0.128","","","","","","0.979","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000489","20.4508","0.0003","11.98222","0.00013","16.482","0.0002","90","","112.763","0.0016","90","","3724.26","0.09","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O -","- C25 H19 N O -","- C200 H152 N8 O8 -","8","2","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","x-ray","1.54184","CuKα","","0.0445","0.0377","","","0.1021","0.1086","","","","","","1.02","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000490","11.0496","0.0002","12.7223","0.0002","11.0073","0.0002","90","","99.6402","0.0019","90","","1525.52","0.05","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Nie, Xiancheng; Su, Hao; Wang, Tao; Miao, Hui; Chen, Biao; Zhang, Guoqing","Aromatic Electrophilic Directing for Fluorescence and Room-Temperature Phosphorescence Modulation.","The journal of physical chemistry letters","2021","12","12","3099","3105","10.1021/acs.jpclett.1c00520","","","1.54184","CuKα","","0.045","0.0391","","","0.1042","0.1134","","","","","","1.055","","","","has coordinates","263605","2021-04-04","10:04:25",""
"8000491","24.786","0.008","38.64","0.005","9.0207","0.0007","90","","91.074","0.018","90","","8638","3","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H16 N4 O8 -","- C52 H16 N4 O8 -","- C208 H64 N16 O32 -","4","1","","Chen, Jiehuan; Tang, Ningning; Zhou, Jiadong; Wang, Liangxuan; Jiang, Nianqiang; Zheng, Nan; Liu, Linlin; Xie, Zengqi","Coexistence of Parallel and Rotary Stackings in the Lamellar Crystals of a Perylene Bisimide Dyad for Temperature-Sensitive Bicomponent Emission.","The journal of physical chemistry letters","2021","","","3373","3378","10.1021/acs.jpclett.1c00674","","x-ray","1.54184","CuKα","","0.3702","0.2234","","","0.5168","0.5841","","","","","","1.272","","","","has coordinates","263500","2021-03-31","23:39:51",""
"8000492","9.9272","0.0003","22.2895","0.0004","10.1168","0.0003","90","","118.872","0.004","90","","1960.32","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N5 O -","- C23 H21 N5 O -","- C92 H84 N20 O4 -","4","1","","Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao","Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.","The journal of physical chemistry letters","2021","12","11","2912","2921","10.1021/acs.jpclett.1c00548","","x-ray","1.54184","CuKα","","0.0789","0.0697","","","0.1735","0.1805","","","","","","1.052","","","","has coordinates,has disorder","263568","2021-04-04","09:05:53",""
"8000493","3.93525","0.00014","29.2968","0.0011","14.6279","0.0006","90","","95.143","0.003","90","","1679.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N5 O -","- C19 H15 N5 O -","- C76 H60 N20 O4 -","4","1","","Zhao, Jianjian; Zhang, Peng; Qiao, Hongwei; Hao, Aiyou; Xing, Pengyao","Supramolecular Chirality Suppresses Molecular Chirality: Selective Chiral Recognition in Hierarchically Coassembled Pyridine-Benzimidazole Conjugates with Precise ee% Detection.","The journal of physical chemistry letters","2021","12","11","2912","2921","10.1021/acs.jpclett.1c00548","","x-ray","1.54184","CuKα","","0.0968","0.0705","","","0.1882","0.2079","","","","","","1.045","","","","has coordinates,has disorder","263569","2021-04-04","09:06:20",""
"8000494","4.8893","0.001","15.372","0.003","19.518","0.004","67.58","0.03","89.54","0.03","87.55","0.03","1354.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H32 F16 I2 N4 -","- C62 H32 F16 I2 N4 -","- C62 H32 F16 I2 N4 -","1","0.5","","Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei","Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.","The journal of physical chemistry letters","2021","12","19","4585","4592","10.1021/acs.jpclett.1c00769","","","0.71073","MoKα","","0.0584","0.0467","","","0.1426","0.1474","","","","","","1.09","","","","has coordinates,has disorder","265763","2021-06-04","01:04:05",""
"8000495","14.799","0.003","9.962","0.002","15.092","0.003","90","","90.54","0.03","90","","2224.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 F6 N2 -","- C28 H16 F6 N2 -","- C112 H64 F24 N8 -","4","1","","Ding, Zeyang; Shang, Hongxing; Geng, Yijia; Zhang, Shi-Tong; Huo, Zepeng; Yang, Zairan; Li, Bao; Xu, Weiqing; Jiang, Shimei","Tuning Organic Microcrystal Morphologies through Crystal Engineering Strategies toward Anisotropic Optical Waveguide.","The journal of physical chemistry letters","2021","12","19","4585","4592","10.1021/acs.jpclett.1c00769","","","0.71073","MoKα","","0.068","0.0553","","","0.1638","0.1737","","","","","","1.092","","","","has coordinates","265763","2021-06-04","01:04:07",""
"8000496","11.5969","0.0005","13.4458","0.0006","15.9778","0.0009","90","","107.103","0.008","90","","2381.2","0.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,3',6,6'-tetramethoxybianthrone","3,3',6,6'-tetramethoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C32 H24 O6 -","- C32 H24 O6 -","- C128 H96 O24 -","4","0.5","","Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi","Biradicaloid Behavior of a Twisted Double Bond.","The journal of physical chemistry letters","2021","12","19","4729","4734","10.1021/acs.jpclett.1c00664","","","0.71075","MoKα","","0.0533","0.0399","","","0.1003","0.107","","","","","","1.028","","","","has coordinates","265762","2021-06-04","01:03:53",""
"8000497","6.7405","0.0002","38.8619","0.0013","19.7039","0.0007","90","","93.159","0.003","90","","5153.6","0.3","93.15","","93.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3,3',6,6'-tetra-n-octoxybianthrone (Twisted conformer)","3,3',6,6'-tetraoctoxy-10H,10'H-[9,9'-bianthracenylidene]-10,10'-dione","","- C60 H80 O6 -","- C60 H80 O6 -","- C240 H320 O24 -","4","1","","Hamamoto, Yosuke; Hirao, Yasukazu; Kubo, Takashi","Biradicaloid Behavior of a Twisted Double Bond.","The journal of physical chemistry letters","2021","12","19","4729","4734","10.1021/acs.jpclett.1c00664","","x-ray","1.54184","CuKα","","0.1462","0.1102","","","0.3056","0.3269","","","","","","1.034","","","","has coordinates,has disorder","265762","2021-06-04","01:03:55",""
"8000498","8.3262","0.0007","39.247","0.004","8.3629","0.0008","90","","90","","90","","2732.8","0.4","296.8","0.1","296.8","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1222","0.0773","","","0.1915","0.2213","","","","","","1.09","","","","has coordinates","265764","2021-06-04","01:04:17",""
"8000499","8.325","0.0006","42.717","0.004","8.325","0.0008","90","","90","","90","","2960.5","0.5","297.13","0.1","297.13","0.1","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C11 H37 Br7 N4 Pb2 -","- C11 H37 Br7 N4 Pb2 -","- C44 H148 Br28 N16 Pb8 -","4","0.5","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1241","0.0633","","","0.1406","0.1707","","","","","","1.045","","","","has coordinates,has disorder","265764","2021-06-04","01:04:19",""
"8000500","39.173","0.004","8.3835","0.0005","8.3225","0.0005","90","","90.789","0.007","90","","2732.9","0.4","296.1","0.2","296.1","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H30 Br7 N3 Pb2 -","- C9 H30 Br7 N3 Pb2 -","- C36 H120 Br28 N12 Pb8 -","4","1","","Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo","Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.","The journal of physical chemistry letters","2021","12","20","4965","4971","10.1021/acs.jpclett.1c01148","","","0.71073","MoKα","","0.1291","0.0882","","","0.2059","0.2557","","","","","","1.018","","","","has coordinates","265764","2021-06-04","01:04:19",""
"8000501","13.826","0.002","17.372","0.005","5.0259","0.001","90","","90","","90","","1207.1","0.5","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","TON_BNHx","","","- C0.28 N1.68 O24 Si12 -","- C0.28 N1.68 O24 Si12 -","- C0.56 N3.36 O48 Si24 -","2","0.25","","Paliwoda, Damian; Comboni, Davide; Poręba, Tomasz; Hanfland, Michael; Alabarse, Frederico; Maurin, David; Michel, Thierry; Demirci, Umit B.; Rouquette, Jérôme; di Renzo, Francesco; van der Lee, Arie; Bernard, Samuel; Haines, Julien","Anomalous Volume Changes in the Siliceous Zeolite Theta-1 TON due to Hydrogen Insertion under High-Pressure, High-Temperature Conditions.","The journal of physical chemistry letters","2021","12","21","5059","5063","10.1021/acs.jpclett.1c00965","powder diffraction","","0.4957","synchrotron","","","","","","","","","2.7412","","","","","","","","has coordinates","265766","2021-06-04","01:05:42",""
"8000502","15.343","0.004","7.8403","0.0014","10.165","0.003","90","","90","","90","","1222.8","0.5","393","2","393","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","0.5","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.2539","0.1143","","","0.2484","0.3099","","","","","","1.165","","","","has coordinates","265767","2021-06-04","01:05:49",""
"8000503","10.3827","0.0007","14.8485","0.0012","7.6353","0.0005","90","","95.432","0.007","90","","1171.83","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Br3 N O Pb -","- C4 H12 Br3 N O Pb -","- C16 H48 Br12 N4 O4 Pb4 -","4","1","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.087","0.0589","","","0.1507","0.161","","","","","","1.087","","","","has coordinates","265767","2021-06-04","01:05:52",""
"8000504","9.556","0.004","9.556","0.004","7.9","0.002","90","","90","","120","","624.8","0.4","473","2","473","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C3.2 H8 Br1.2 N0.4 O0.4 Pb0.4 -","- C5.2 Br1.2 Pb0.4 -","- C26 Br6 Pb2 -","5","0.208333","","Huang, Xue-Qin; Zhang, Hua; Wang, Fang; Gan, Tian; Xu, Zhe-Kun; Wang, Zhong-Xia","A Photoluminescent Lead Bromide Hybrid Perovskite Molecular Ferroelastic Semiconductor with Sequential High-<i>T</i><sub>c</sub> Phase Transitions.","The journal of physical chemistry letters","2021","12","21","5221","5227","10.1021/acs.jpclett.1c01473","","","0.71073","MoKα","","0.4816","0.3061","","","0.301","0.3588","","","","","","1.273","","","","has coordinates","265767","2021-06-04","01:05:54",""
"8000505","39.846","0.004","39.846","0.004","39.846","0.004","90","","90","","90","","63264","11","180","2","180","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H8 F2 O5.78 Zr -","- C24 H8 F2 O5.78067 Zr -","- C1152 H384 F96 O277.472 Zr48 -","48","0.25","","Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A","Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.","The journal of physical chemistry letters","2021","12","24","5644","5648","10.1021/acs.jpclett.1c01333","","","0.71073","MoKα","","0.0491","0.0333","","","0.0897","0.0971","","","","","","1.2","","","","has coordinates,has disorder","266975","2021-07-04","01:52:00",""
"8000506","39.823","0.003","39.823","0.003","39.823","0.003","90","","90","","90","","63154","8","298","2","298","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C24 H8 F2 O5.58 Zr -","- C24 H8 F2 O5.582 Zr -","- C1152 H384 F96 O267.936 Zr48 -","48","0.25","","Liu, Zhiyu; Wang, Yangyang; Garcia-Garibay, Miguel A","Rotational Dynamics of an Amphidynamic Zirconium Metal-Organic Framework Determined by Dielectric Spectroscopy.","The journal of physical chemistry letters","2021","12","24","5644","5648","10.1021/acs.jpclett.1c01333","","","0.71073","MoKα","","0.062","0.0356","","","0.082","0.0932","","","","","","1.146","","","","has coordinates,has disorder","266975","2021-07-04","01:52:00",""
"8000507","7.2332","0.0004","7.8762","0.0004","8.0903","0.0004","76.673","0.004","83.598","0.004","88.515","0.004","445.7","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","TMPD-PMDA","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","1","0.5","","Chen, Wenbin; Sun, Shanshan; Huang, Guanheng; Ni, Shaofei; Xu, Liang; Dang, Li; Phillips, David Lee; Li, Ming-De","Unprecedented Improvement of Near-Infrared Photothermal Conversion Efficiency to 87.2% by Ultrafast Non-radiative Decay of Excited States of Self-Assembly Cocrystal.","The journal of physical chemistry letters","2021","12","24","5796","5801","10.1021/acs.jpclett.1c01021","","x-ray","1.54184","CuKα","","0.0462","0.0438","","","0.1105","0.1137","","","","","","1.095","","","","has coordinates","266974","2021-07-04","01:50:48",""
"8000508","12.6429","0.0003","12.1175","0.0002","11.3048","0.0003","90","","113.733","0.003","90","","1585.43","0.07","172.99","0.1","172.99","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H34 Fe N4 O8 -","- C34 H34 Fe N4 O8 -","- C68 H68 Fe2 N8 O16 -","2","0.5","","Liu, Bingyu; Hao, Aiyou; Xing, Pengyao","Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides","The Journal of Physical Chemistry Letters","2021","","","6190","6196","10.1021/acs.jpclett.1c01231","","x-ray","1.54184","CuKα","","0.0325","0.0319","","","0.0777","0.0779","","","","","","1.063","","","","has coordinates","266817","2021-06-30","23:30:00",""
"8000509","12.1314","0.0007","12.1865","0.0008","12.2183","0.0007","62.882","0.006","85.647","0.005","61.341","0.006","1387.1","0.2","173","0.1","173","0.1","","","","","","","","5","P 1","P 1","1","","1","","- C2.15 H2.5 Fe0.04 N0.15 O0.46 -","- C2.15385 H2.34615 Fe0.0384615 N0.192308 O0.423077 -","- C56 H61 Fe N5 O11 -","26","26","","Liu, Bingyu; Hao, Aiyou; Xing, Pengyao","Water-Mediated Folding Behaviors and Chiroptical Inversion of Ferrocene-Conjugated Dipeptides","The Journal of Physical Chemistry Letters","2021","","","6190","6196","10.1021/acs.jpclett.1c01231","","x-ray","1.54184","CuKα","","0.09","0.0827","","","0.2308","0.2408","","","","","","1.008","","","","has coordinates","266818","2021-06-30","23:30:46",""
"8000510","26.2935","0.0009","41.0208","0.0014","40.3958","0.0014","90","","104.188","0.002","90","","42241","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C333 H398 Ag45 Cl2 O26 S22 -","- C333 H398 Ag45 Cl2 O26 S22 -","- C1332 H1592 Ag180 Cl8 O104 S88 -","4","1","","Du, Wenjun; Deng, Shiyao; Chen, Shuang; Jin, Shan; Zhen, Yaru; Pei, Yong; Zhu, Manzhou","Anisotropic Evolution of Nanoclusters from Ag40 to Ag45: Halogen- and Defect-Induced Epitaxial Growth in Nanoclusters","The Journal of Physical Chemistry Letters","2021","","","6654","6660","10.1021/acs.jpclett.1c01713","","","0.71073","MoKα","","0.2274","0.1249","","","0.2797","0.3664","","","","","","1.054","","","","has coordinates","267516","2021-07-13","23:42:36",""
"8000511","13.0039","0.0003","9.7799","0.0002","15.7239","0.0004","90","","92.691","0.002","90","","1997.51","0.08","170.01","0.1","170.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Cl2 Cu N -","- C16 H36 Cl2 Cu N -","- C64 H144 Cl8 Cu4 N4 -","4","0.5","","Peng, Hui; Wang, Xinxin; Tian, Ye; Dong, Tiantian; Xiao, Yonghao; Huang, Tao; Guo, Yongchang; Wang, Jianping; Zou, Bingsuo","Water-Stable Zero-Dimensional (C4H9)4NCuCl2 Single Crystal with Highly Efficient Broadband Green Emission","The Journal of Physical Chemistry Letters","2021","","","6639","6647","10.1021/acs.jpclett.1c01794","","x-ray","0.71073","MoKα","","0.024","0.0223","","","0.0646","0.0654","","","","","","1.094","","","","has coordinates","267517","2021-07-13","23:43:04",""
"8000512","10.079","0.002","11.021","0.002","12.037","0.003","94.336","0.002","98.721","0.003","91.7938","0.0018","1316.6","0.5","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C55 H37 Eu F12 N4 O8 -","- C55 H37 Eu F12 N4 O8 -","- C55 H37 Eu F12 N4 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0212","0.0212","","","0.0491","0.0491","","","","","","0.984","","","","has coordinates,has disorder","267651","2021-07-20","23:59:05",""
"8000513","10.198","0.004","10.878","0.004","12.588","0.005","98.433","0.006","107.288","0.004","98.919","0.004","1289.4","0.9","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C53 H34 Br3 Eu F9 N3 O8 -","- C53 H34 Br3 Eu F9 N3 O8 -","- C53 H34 Br3 Eu F9 N3 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0224","0.0216","","","0.0458","0.0461","","","","","","0.86","","","","has coordinates","267652","2021-07-20","23:59:19",""
"8000514","13.0611","0.001","38.48","0.003","16.0189","0.0013","90","","90.703","0.001","90","","8050.4","1.1","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H43 Eu F9 N3 O8 -","- C56 H43 Eu F9 N3 O8 -","- C336 H258 Eu6 F54 N18 O48 -","6","3","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0435","0.0373","","","0.071","0.073","","","","","","1.063","","","","has coordinates,has disorder","267653","2021-07-20","23:59:40",""
"8000515","12.815","0.007","24.134","0.014","18.953","0.011","90","","107.872","0.004","90","","5579","6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H34 Eu F18 N3 O8 -","- C56 H30.5 Eu F18 N3 O8 -","- C224 H122 Eu4 F72 N12 O32 -","4","2","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0426","0.0354","","","0.072","0.0752","","","","","","1.029","","","","has coordinates,has disorder","267654","2021-07-21","00:00:08",""
"8000516","17.2083","0.0015","17.2083","0.0015","37.945","0.003","90","","90","","90","","11236.5","1.6","100","2","100","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C56 H43 Eu F9 N3 O8 S3 -","- C56 H43 Eu F9 N3 O8 S3 -","- C448 H344 Eu8 F72 N24 O64 S24 -","8","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.1103","0.0573","","","0.1258","0.1458","","","","","","0.925","","","","has coordinates,has disorder","267655","2021-07-21","00:00:44",""
"8000517","10.2252","0.0015","15.936","0.002","16.583","0.003","83.578","0.002","81.734","0.002","86.63","0.002","2654.8","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H34 Eu F9 N6 O8 -","- C56 H34 Eu F9 N6 O8 -","- C112 H68 Eu2 F18 N12 O16 -","2","2","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0372","0.0322","","","0.0711","0.0733","","","","","","1.051","","","","has coordinates,has disorder","267656","2021-07-21","00:01:06",""
"8000518","10.3011","0.0007","11.0339","0.0007","12.1085","0.0008","93.001","0.001","97.851","0.001","92.865","0.001","1359.23","0.16","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C56 H34 Cl3 Eu F9 N3 O8 -","- C55 H37 Cl3 Eu F9 N4 O8 -","- C55 H37 Cl3 Eu F9 N4 O8 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.023","0.0229","","","0.0513","0.0514","","","","","","0.804","","","","has coordinates","267657","2021-07-21","00:01:27",""
"8000519","10.396","0.007","11.164","0.007","12.73","0.008","100.881","0.01","109.334","0.009","97.095","0.012","1341.2","1.5","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C56 H43 Eu F9 N3 O11 -","- C56 H43 Eu F9 N3 O11 -","- C56 H43 Eu F9 N3 O11 -","1","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0233","0.0232","","","0.0504","0.0504","","","","","","0.893","","","","has coordinates,has disorder","267658","2021-07-21","00:01:42",""
"8000520","14.844","0.008","18.882","0.01","20.014","0.01","90","","90","","90","","5610","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H49 Eu F9 N3 O11 -","- C59 H49 Eu F9 N3 O11 -","- C236 H196 Eu4 F36 N12 O44 -","4","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0258","0.0224","","","0.0524","0.0545","","","","","","0.713","","","","has coordinates,has disorder","267659","2021-07-21","00:02:02",""
"8000521","9.1372","0.0003","17.9515","0.0007","12.0858","0.0005","90","","90.47","0.001","90","","1982.32","0.13","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 Cl5 N3 O Sb -","- C9 H27 Cl5 N3 O Sb -","- C36 H108 Cl20 N12 O4 Sb4 -","4","1","","Wei, Qilin; Chang, Tong; Zeng, Ruosheng; Cao, Sheng; Zhao, Jialong; Han, Xinxin; Wang, Lishuang; Zou, Bingsuo","Self-Trapped Exciton Emission in a Zero-Dimensional (TMA)<sub>2</sub>SbCl<sub>5</sub>·DMF Single Crystal and Molecular Dynamics Simulation of Structural Stability.","The journal of physical chemistry letters","2021","","","7091","7099","10.1021/acs.jpclett.1c02119","","","0.71073","MoKα","","0.0275","0.0266","","","0.0694","0.0701","","","","","","1.018","","","","has coordinates","267727","2021-07-23","23:49:55",""
"8000522","31.204","0.007","14.246","0.003","7.0912","0.0016","90","","90.053","0.008","90","","3152.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C144 H168 N24 O8 -","8","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0781","0.0645","","","0.17","0.1867","","","","","","1.057","","","","has coordinates","267829","2021-07-30","23:58:03",""
"8000523","6.0201","0.0002","22.9725","0.0008","11.0281","0.0004","90","","94.499","0.002","90","","1520.45","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O -","- C17 H19 N3 O -","- C68 H76 N12 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.066","0.0498","","","0.1261","0.1396","","","","","","1.052","","","","has coordinates","267830","2021-07-30","23:58:26",""
"8000524","20.556","0.003","7.6031","0.0012","6.1035","0.0009","90","","90","","90","","953.9","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0855","0.066","","","0.1737","0.1966","","","","","","1.049","","","","has coordinates","267831","2021-07-30","23:58:46",""
"8000525","7.2755","0.0005","13.7706","0.0009","17.4597","0.0013","90","","100.778","0.002","90","","1718.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O -","- C19 H23 N3 O -","- C76 H92 N12 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.096","0.0537","","","0.1149","0.1403","","","","","","1.032","","","","has coordinates","267832","2021-07-30","23:59:07",""
"8000526","8.055","0.004","10.096","0.006","11.687","0.005","90","","90","","90","","950.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0404","0.0342","","","0.0799","0.0845","","","","","","1.035","","","","has coordinates","267833","2021-07-30","23:59:28",""
"8000527","9.3063","0.0017","10.2363","0.0017","9.865","0.002","90","","96.832","0.008","90","","933.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0787","0.0594","","","0.1542","0.1748","","","","","","1.041","","","","has coordinates,has disorder","267834","2021-07-30","23:59:48",""
"8000528","11.90232","0.00004","18.92658","0.00007","18.74628","0.00008","90","","90","","90","","4222.98","0.03","249.97","0.1","249.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C44 H38 Br4 Mn P2 -","- C44 H38 Br4 Mn P2 -","- C176 H152 Br16 Mn4 P8 -","4","0.5","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.028","0.0271","","","0.0679","0.0685","","","","","","1.085","","","","has coordinates","267835","2021-07-31","00:00:12",""
"8000529","20.6048","0.0002","12.3995","0.0001","16.0468","0.0001","90","","105.924","0.001","90","","3942.46","0.06","249.99","","249.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Br4 Mn P2 -","- C40 H38 Br4 Mn P2 -","- C160 H152 Br16 Mn4 P8 -","4","1","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.03","0.0264","","","0.0688","0.0704","","","","","","1.022","","","","has coordinates,has disorder","267836","2021-07-31","00:00:34",""
"8000530","10.1305","0.0001","12.7616","0.0002","17.9057","0.0003","75.345","0.001","86.03","0.001","67.855","0.001","2073.47","0.05","250","","250","","","","","","","","","5","P -1","-P 1","2","","2","","- C44 H38 Br4 Mn P2 -","- C44 H38 Br4 Mn P2 -","- C88 H76 Br8 Mn2 P4 -","2","1","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.0326","0.0315","","","0.0847","0.0855","","","","","","1.03","","","","has coordinates","267837","2021-07-31","00:00:56",""
"8000531","9.7649","0.0001","28.6587","0.0002","16.2036","0.0001","90","","104.154","0.001","90","","4396.91","0.06","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Br4 Mn P2 -","- C48 H38 Br4 Mn P2 -","- C192 H152 Br16 Mn4 P8 -","4","1","","Fu, Pengfei; Sun, Yuling; Xia, Zhiguo; Xiao, Zewen","Photoluminescence Behavior of Zero-Dimensional Manganese Halide Tetrahedra Embedded in Conjugated Organic Matrices","The Journal of Physical Chemistry Letters","2021","","","7394","7399","10.1021/acs.jpclett.1c02154","","","1.54184","CuKα","","0.0448","0.0406","","","0.1117","0.1149","","","","","","1.035","","","","has coordinates","267838","2021-07-31","00:01:19",""
"8000532","25.2717","0.0016","7.7302","0.0004","12.4159","0.0007","90","","99.618","0.003","90","","2391.4","0.2","101","2","101.2","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cl6 In Rb3 -","- Cl6 In Rb3 -","- Cl48 In8 Rb24 -","8","1","","Zhang, Chao; Feng, Xuezhen; Song, Qilin; Zhou, Chaocheng; Peng, Lin; Chen, Jing; Liu, Xiaolin; Chen, Hong; Lin, Jia; Chen, Xianfeng","Blue-Violet Emission with Near-Unity Photoluminescence Quantum Yield from Cu(I)-Doped Rb<sub>3</sub>InCl<sub>6</sub> Single Crystals.","The journal of physical chemistry letters","2021","12","33","7928","7934","10.1021/acs.jpclett.1c01751","","","0.71073","MoKα","","0.0247","0.0222","","","0.0499","0.0507","","","","","","1.131","","","","has coordinates","268463","2021-09-04","02:02:15",""
"8000533","21.5256","0.0008","9.7968","0.0004","4.7685","0.0002","90","","90","","90","","1005.59","0.07","113.15","","113.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H15 N3 O6 -","- C6 H15 N3 O6 -","- C24 H60 N12 O24 -","4","1","","Guo, Mingxia; Rosbottom, Ian; Zhou, Lina; Yong, Chin W.; Zhou, Ling; Yin, Qiuxiang; Todorov, Ilian T.; Errington, Ethan; Heng, Jerry Y. Y.","Triglycine (GGG) Adopts a Polyproline II (pPII) Conformation in Its Hydrated Crystal Form: Revealing the Role of Water in Peptide Crystallization.","The journal of physical chemistry letters","2021","12","34","8416","8422","10.1021/acs.jpclett.1c01622","","x-ray","0.71073","MoKα","","0.0492","0.0466","","","0.1277","0.1305","","","","","","1.041","","","","has coordinates","268464","2021-09-04","02:03:16",""
"8000534","10.2354","0.0001","13.1008","0.0001","15.8109","0.0002","91.429","0.001","101.553","0.001","103.772","0.001","2011.56","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0242","0.0229","","","0.0608","0.0615","","","","","","1.027","","","","has coordinates","268465","2021-09-04","02:03:40",""
"8000535","30.414","0.0008","4.196","0.0001","14.4536","0.0003","90","","95.248","0.002","90","","1836.8","0.08","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Cu I N3 O0.5 -","- C8 H6 Cu I N3 O0.5 -","- C64 H48 Cu8 I8 N24 O4 -","8","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","0.71073","MoKα","","0.0268","0.0235","","","0.0613","0.0634","","","","","","1.049","","","","has coordinates","268466","2021-09-04","02:04:03",""
"8000536","10.3279","0.0004","13.1429","0.0003","15.9454","0.0002","91.932","0.002","101.499","0.002","103.064","0.002","2059.02","0.1","330","2","330","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0624","0.0418","","","0.0923","0.1233","","","","","","1.142","","","","has coordinates","268467","2021-09-04","02:04:26",""
"8000537","10.253","0.0001","13.107","0.0001","15.8382","0.0001","91.541","0.001","101.537","0.001","103.642","0.001","2020.46","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0248","0.0232","","","0.0557","0.0564","","","","","","1.051","","","","has coordinates","268468","2021-09-04","02:04:44",""
"8000538","30.414","0.0008","4.196","0.0001","14.4536","0.0003","90","","95.248","0.002","90","","1836.8","0.08","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Cu I N3 O0.5 -","- C8 H6 Cu I N3 O0.5 -","- C64 H48 Cu8 I8 N24 O4 -","8","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","0.71073","MoKα","","0.0208","0.02","","","0.0535","0.0539","","","","","","1.029","","","","has coordinates","268469","2021-09-04","02:05:08",""
"8000539","10.337","0.0006","13.1443","0.0006","15.9625","0.0003","91.989","0.003","101.507","0.004","102.945","0.004","2064.09","0.16","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.1222","0.0808","","","0.1997","0.2633","","","","","","1.156","","","","has coordinates","268470","2021-09-04","02:05:39",""
"8000540","10.2702","0.0001","13.1195","0.0001","15.8628","0.0001","91.637","0.001","101.545","0.001","103.513","0.001","2029.76","0.03","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0267","0.0243","","","0.0582","0.0593","","","","","","1.048","","","","has coordinates","268471","2021-09-04","02:05:59",""
"8000541","10.3022","0.0002","13.1267","0.0002","15.9106","0.0002","91.787","0.001","101.542","0.001","103.293","0.002","2044.93","0.06","270","2","270","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0409","0.034","","","0.0845","0.0918","","","","","","1.116","","","","has coordinates","268472","2021-09-04","02:06:17",""
"8000542","10.2909","0.0001","13.1301","0.0001","15.8935","0.0002","91.716","0.001","101.577","0.001","103.369","0.001","2040.26","0.04","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0299","0.0266","","","0.0618","0.0631","","","","","","1.043","","","","has coordinates","268473","2021-09-04","02:06:36",""
"8000543","10.3155","0.0003","13.136","0.0002","15.932","0.0002","91.851","0.001","101.507","0.002","103.186","0.002","2052.83","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cu4 I4 N8 O2 -","- C36 H28 Cu4 I4 N8 O2 -","- C72 H56 Cu8 I8 N16 O4 -","2","1","","Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu","Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.","The journal of physical chemistry letters","2021","12","34","8237","8245","10.1021/acs.jpclett.1c02426","","","1.54178","CuKα","","0.0522","0.0365","","","0.0786","0.1036","","","","","","1.134","","","","has coordinates","268474","2021-09-04","02:06:54",""
"8000544","17.7247","0.001","7.665","0.0004","9.7505","0.0005","90","","90","","90","","1324.7","0.12","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- F4 H2 K2 O12 S3 Zn3 -","- F4 H2 K2 O12 S3 Zn3 -","- F16 H8 K8 O48 S12 Zn12 -","4","0.5","","Zhou, Yang; Zhang, Xingyu; Xiong, Zheyao; Long, Xifa; Li, Yanqiang; Chen, Yangxin; Chen, Xin; Zhao, Sangen; Lin, Zheshuai; Luo, Junhua","Non-π-Conjugated Deep-Ultraviolet Nonlinear Optical Crystal K<sub>2</sub>Zn<sub>3</sub>(SO<sub>4</sub>)(HSO<sub>4</sub>)<sub>2</sub>F<sub>4</sub>.","The journal of physical chemistry letters","2021","12","34","8280","8284","10.1021/acs.jpclett.1c01533","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","268475","2021-09-04","02:07:17",""
"8000545","9.555","0.0001","15.6096","0.0001","32.3131","0.0003","99.959","0.001","91.493","0.001","92.824","0.001","4738.17","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Br4 Mn N2 -","- C42 H76 Br4 Mn N2 -","- C168 H304 Br16 Mn4 N8 -","4","2","","Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi","Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids.","The journal of physical chemistry letters","2021","12","36","8692","8698","10.1021/acs.jpclett.1c02686","","x-ray","1.54184","CuKα","","0.0518","0.0432","","","0.105","0.1092","","","","","","1.056","","","","has coordinates","269531","2021-10-04","01:43:45",""
"8000546","9.2521","0.0001","17.3068","0.0002","30.8717","0.0003","78.402","0.001","88.41","0.001","76.36","0.001","4704.8","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H78 Br4 Mn N4 -","- C40 H78 Br4 Mn N4 -","- C160 H312 Br16 Mn4 N16 -","4","2","","Zhang, Shuai; Zhao, Yifei; Zhou, Yayun; Li, Man; Wang, Wei; Ming, Hong; Jing, Xiping; Ye, Shi","Dipole-Orientation-Dependent Förster Resonance Energy Transfer from Aromatic Head Groups to MnBr<sub>4</sub><sup>2-</sup> Blocks in Organic-Inorganic Hybrids.","The journal of physical chemistry letters","2021","12","36","8692","8698","10.1021/acs.jpclett.1c02686","","x-ray","1.54184","CuKα","","0.0485","0.0445","","","0.1251","0.1281","","","","","","1.076","","","","has coordinates","269532","2021-10-04","01:44:10",""
"8000547","8.9169","0.0019","13.042","0.003","17.248","0.004","90","","94.284","0.008","90","","2000.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing","Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.","The journal of physical chemistry letters","2021","12","38","9233","9238","10.1021/acs.jpclett.1c02726","","","0.71076","MoKα","","0.051","0.0463","","","0.1227","0.1263","","","","","","1.154","","","","has coordinates","269533","2021-10-04","01:44:42",""
"8000548","5.0705","0.0007","37.539","0.005","10.7938","0.0016","90","","92.192","0.005","90","","2053","0.5","98","2","98","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F3 I3 N -","- C20 H10 F3 I3 N -","- C80 H40 F12 I12 N4 -","4","1","","Du, Sijia; Ma, Suqian; Xu, Bin; Tian, Wenjing","Optical Waveguide and Photoluminescent Polarization in Organic Cocrystal Polymorphs.","The journal of physical chemistry letters","2021","12","38","9233","9238","10.1021/acs.jpclett.1c02726","","","0.71076","MoKα","","0.0723","0.0417","","","0.0824","0.095","","","","","","1.113","","","","has coordinates","269534","2021-10-04","01:45:08",""
"8000549","10.7291","0.0002","12.2843","0.0003","19.3087","0.0004","90","","93.931","0.002","90","","2538.89","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C70 H50 N4 O4 -","- C70 H50 N4 O4 -","- C140 H100 N8 O8 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71073","MoKα","","0.0665","0.0452","","","0.1068","0.116","","","","","","1.043","","","","has coordinates","269535","2021-10-04","01:45:36",""
"8000550","8.6191","0.0006","11.0586","0.0009","12.8995","0.0009","96.722","0.007","92.205","0.007","90.967","0.006","1219.88","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 N2 O2 -","- C35 H26 N2 O2 -","- C70 H52 N4 O4 -","2","1","","Sakamaki, Daisuke; Tanaka, Shunya; Tanaka, Katsuki; Takino, Mayu; Gon, Masayuki; Tanaka, Kazuo; Hirose, Takashi; Hirobe, Daichi; Yamamoto, Hiroshi M.; Fujiwara, Hideki","Double Heterohelicenes Composed of Benzo[<i>b</i>]- and Dibenzo[<i>b</i>,<i>i</i>]phenoxazine: A Comprehensive Comparison of Their Electronic and Chiroptical Properties.","The journal of physical chemistry letters","2021","12","38","9283","9292","10.1021/acs.jpclett.1c02896","","","0.71075","MoKα","","0.0692","0.0442","","","0.11","0.1196","","","","","","1.053","","","","has coordinates","269536","2021-10-04","01:46:10",""
"8000551","13.117","0.003","24.758","0.004","37.628","0.007","90","","90","","90","","12220","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C92 H64 Ag6 N28 O31 Yb2 -","- C92 H64 Ag6 N28 O31 Yb2 -","- C368 H256 Ag24 N112 O124 Yb8 -","4","1","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.123","0.095","","","0.2356","0.254","","","","","","1.089","","","","has coordinates,has disorder","270298","2021-11-04","02:02:25",""
"8000552","22.961","0.003","14.1072","0.0016","18.6968","0.0019","90","","103.936","0.007","90","","5877.9","1.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Au3 N16 O8 S6 Yb -","- C50 H38 Au3 N16 O8 S6 Yb -","- C200 H152 Au12 N64 O32 S24 Yb4 -","4","0.5","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71075","MoKα","","0.0817","0.067","","","0.0771","0.0795","","","","","","1.388","","","","has coordinates","270298","2021-11-04","02:02:26",""
"8000553","53.198","0.004","12.3749","0.0009","24.9475","0.0018","90","","90.362","0.003","90","","16423","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C139.67 H96 Cd5.33 N43.67 O34 Yb3 -","- C139.667 H96 Cd5.3334 N43.6668 O34 Yb3 -","- C558.667 H384 Cd21.3336 N174.667 O136 Yb12 -","4","0.5","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0645","0.0471","","","0.1294","0.142","","","","","","1.033","","","","has coordinates,has disorder","270298","2021-11-04","02:02:26",""
"8000554","13.8229","0.001","25.6413","0.0019","28.239","0.002","90","","90","","90","","10008.9","1.3","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H44 Co N14 O14 Yb -","- C46 H44 Co N14 O14 Yb -","- C368 H352 Co8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0318","0.0235","","","0.0484","0.0506","","","","","","1.063","","","","has coordinates,has disorder","270298","2021-11-04","02:02:26",""
"8000555","13.8789","0.0014","25.716","0.003","28.221","0.003","90","","90","","90","","10072.4","1.9","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H44 Ir N14 O14 Yb -","- C46 H44 Ir N14 O14 Yb -","- C368 H352 Ir8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0862","0.0703","","","0.1238","0.1303","","","","","","1.134","","","","has coordinates,has disorder","270298","2021-11-04","02:02:26",""
"8000556","13.826","0.0007","25.726","0.0012","28.263","0.0013","90","","90","","90","","10052.8","0.8","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H44 Fe N14 O14 Yb -","- C46 H44 Fe N14 O14 Yb -","- C368 H352 Fe8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0308","0.0248","","","0.05","0.0516","","","","","","1.071","","","","has coordinates,has disorder","270298","2021-11-04","02:02:27",""
"8000557","13.9366","0.0011","25.744","0.002","28.199","0.003","90","","90","","90","","10117.3","1.6","100","2","100","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C46 H32 Cr N14 O14 Yb -","- C46 H32 Cr N14 O14 Yb -","- C368 H256 Cr8 N112 O112 Yb8 -","8","0.25","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.0696","0.0529","","","0.1145","0.1212","","","","","","1.036","","","","has coordinates,has disorder","270298","2021-11-04","02:02:27",""
"8000558","5.8131","0.00005","15.6887","0.0002","5.2854","0.00008","90","","92.282","0.0006","90","","481.646","0.01","295","","295.03","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Cs Pb I2 Br","Cs Pb I2 Br","","- Br Cs I2 Pb -","- Br Cs I2 Pb -","- Br2 Cs2 I4 Pb2 -","2","0.5","","Yue, Yaochang; Zhou, Jiyu; Cheng, Qian; Zhang, Xuning; Wang, Boxin; Li, Yanxun; Li, Shilin; Cao, Ruiqi; Wang, Kaiyuan; Wang, Hui; Zhou, Huiqiong; Zhang, Yuan","Peculiar Steric Hindrance Assists Monoclinic Phase Formation toward High-Quality All-Inorganic Perovskites.","The journal of physical chemistry letters","2021","12","45","11228","11237","10.1021/acs.jpclett.1c03021","powder diffraction","","1.5405","CuKα","","","","","","","","","7.3375","1.2232","","","","","","","has coordinates","271114","2021-12-04","03:03:48",""
"8000559","23.605","0.007","9.002","0.002","21.707","0.006","90","","90","","90","","4613","2","425","2","425","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C4 H10 I3 N O2 Pb -","- C4 H10 I3 N O2 Pb -","- C48 H120 I36 N12 O24 Pb12 -","12","0.75","","Xie, Guanying; Wang, Lei; Ju, Dianxing; Yao, Changlin; Wang, Xinyuan; Song, Shuhong; Qu, Yaqian; Li, Huimin; Tao, Xutang","Thermochromism Perovskite (COOH(CH<sub>2</sub>)<sub>3</sub>NH<sub>3</sub>)<sub>2</sub>PbI<sub>4</sub> Crystals: Single-Crystal to Single-Crystal Phase Transition and Excitation-Wavelength-Dependent Emission.","The journal of physical chemistry letters","2021","","","214","221","10.1021/acs.jpclett.1c03458","","","1.34139","GaKα","","0.2129","0.1384","","","0.318","0.3585","","","","","","1.2","","","","has coordinates,has disorder","271784","2022-01-04","02:26:25",""
"8000560","15.3534","0.0005","11.9467","0.0006","17.3788","0.0007","90","","103.369","0.001","90","","3101.3","0.2","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br6 In N9 O -","- C21 H26 Br6 In N9 O -","- C84 H104 Br24 In4 N36 O4 -","4","1","","Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia","Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.","The journal of physical chemistry letters","2021","","","198","207","10.1021/acs.jpclett.1c03649","","","0.71073","MoKα","","0.0358","0.0244","","","0.0538","0.0576","","","","","","1.02","","","","has coordinates","271785","2022-01-04","02:26:51",""
"8000561","10.3309","0.0006","15.6212","0.001","14.2713","0.0009","90","","108.667","0.002","90","","2182","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Br5 N6 Sb -","- C14 H16 Br5 N6 Sb -","- C56 H64 Br20 N24 Sb4 -","4","1","","Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia","Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.","The journal of physical chemistry letters","2021","","","198","207","10.1021/acs.jpclett.1c03649","","","0.71073","MoKα","","0.0271","0.0212","","","0.0492","0.0508","","","","","","1.048","","","","has coordinates","271786","2022-01-04","02:27:17",""
"8000562","14.9918","0.0004","11.8909","0.0004","17.0091","0.0005","90","","105.138","0.001","90","","2926.93","0.15","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl6 In N9 O -","- C21 H26 Cl6 In N9 O -","- C84 H104 Cl24 In4 N36 O4 -","4","1","","Lin, Jiawei; Liu, Kunjie; Ruan, Hang; Sun, Niu; Chen, Xin; Zhao, Jing; Guo, Zhongnan; Liu, Quanlin; Yuan, Wenxia","Zero-Dimensional Lead-Free Halide with Indirect Optical Gap and Enhanced Photoluminescence by Sb Doping.","The journal of physical chemistry letters","2021","","","198","207","10.1021/acs.jpclett.1c03649","","x-ray","0.71073","MoKα","","0.0295","0.0284","","","0.0731","0.0743","","","","","","1.092","","","","has coordinates","271787","2022-01-04","02:27:43",""
"8000563","6.6191","0.0002","3.797","0.0001","19.903","0.0005","90","","94.592","0.003","90","","498.61","0.02","170","0.11","170","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N2 O2 -","- C14 H8 N2 O2 -","- C28 H16 N4 O4 -","2","0.5","","Wang, Long; Cai, Wanlin; Sun, Jing; Wu, Yuling; Zhang, Bin; Tian, Xiangbin; Guo, Shaoting; Liang, WanZhen; Fu, Hongbing; Yao, Jiannian","H-Type-like Aggregation-Accelerated Singlet Fission Process in Dipyrrolonaphthyridinedione Thin Film: The Role of Charge Transfer/Excimer Mixed Intermediate State.","The journal of physical chemistry letters","2021","12","51","12276","12282","10.1021/acs.jpclett.1c03265","","x-ray","1.54184","CuKα","","0.0403","0.037","","","0.0929","0.0951","","","","","","1.117","","","","has coordinates","271788","2022-01-04","02:28:21",""
"8104546","21.3992","0.0017","5.9311","0.0004","5.2923","0.0004","90","","90","","90","","671.7","0.09","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","<i>meta</i>-bromonitrobenzene","3-bromonitrobenzene","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C24 H16 Br4 N4 O8 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 3-bromonitrobenzene at 200 K, C6H4BrNO2 – temperature effects on cell constants","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1131","1133","10.1515/ncrs-2021-0226","","","0.71073","MoKα","","0.0364","0.0284","","","0.0681","0.0708","","","","","","1.089","","","","has coordinates","272834","2022-02-07","12:30:24",""
"8104547","4.6967","0.0007","10.7175","0.0016","12.945","0.002","90","","94.827","0.008","90","","649.3","0.17","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C28 H26 N2 O10 -","2","1","","Yoo, Miri; Koh, Dongsoo","Crystal structure of (E)-ethyl 2-((4-oxo-4H-chromen-3-yl)methyleneaminooxy)acetate, C14H13NO5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1135","1137","10.1515/ncrs-2021-0247","","","0.71073","MoKα","","0.1393","0.0577","","","0.1038","0.1302","","","","","","1.013","","","","has coordinates","272836","2022-02-07","12:38:27",""
"8104548","7.8016","0.0007","13.1609","0.001","30.536","0.002","90","","90","","90","","3135.3","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 F N O3 -","- C36 H52 F N O3 -","- C144 H208 F4 N4 O12 -","4","1","","Zhang, Mei; Meng, Qing-Guo; Hou, Gui-Ge; Jiang, Sheng; Jin, Yong-Sheng; Gao, Yue","Crystal structure of (8R,10R,14R, Z)-2-((3–Fluoropyridin-4-yl) methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6, 6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a] phenanthren-3-one, C36H52FNO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1139","1142","10.1515/ncrs-2021-0248","","","0.71073","MoKα","","0.0962","0.0657","","","0.13","0.1435","","","","","","0.982","","","","has coordinates","272837","2022-02-07","12:41:58",""
"8104549","22.743","0.004","8.0434","0.0015","8.9388","0.0017","90","","94.159","0.003","90","","1630.9","0.5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 Cu N2 O2 -","- C17 H14 Cl2 Cu N2 O2 -","- C68 H56 Cl8 Cu4 N8 O8 -","4","0.5","","Wei, Baiying; Cao, Chenzhong","Crystal structure of [6,6′-((1E,1′E)-(propane-1,3- diylbis(azaneylylidene))bis(methaneylylidene)) bis(3-chlorophenol)-κ 4 N,N′,O,O′] copper(II), C17H14Cl2CuN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1143","1144","10.1515/ncrs-2021-0249","","","0.71073","MoKα","","0.0493","0.0376","","","0.0932","0.0997","","","","","","1.083","","","","has coordinates,has disorder","272869","2022-02-09","09:11:08",""
"8104550","23.747","0.0019","5.4355","0.0004","15.3336","0.0011","90","","127.291","0.002","90","","1574.6","0.2","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C48 H56 Br8 N16 O16 -","8","1","","Cui, Mengbing; Zeng, Yan; Li, Yong; Chen, Heng","The crystal structure of 6-amino-2-carboxypyridin-1-ium bromide, C6H7BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1145","1146","10.1515/ncrs-2021-0251","","","0.71073","MoKα","","0.0461","0.0292","","","0.0696","0.0756","","","","","","1.092","","","","has coordinates","272870","2022-02-09","09:17:48",""
"8104551","19.5909","0.0011","10.8023","0.0006","14.5722","0.0008","90","","112.032","0.001","90","","2858.7","0.3","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Cl N4 Na Ni2 O8 -","- C24 H36 Cl N4 Na Ni2 O8 -","- C96 H144 Cl4 N16 Na4 Ni8 O32 -","4","0.5","","Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M.M.; Tiekink, Edward R.T.; Roy, Tapashi Ghosh","Redetermination of the crystal structure of bis[N,N′-ethylenebis(acetylacetoniminato)nickel(II)] sodium perchlorate, C24H36ClN4NaNi2O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1147","1150","10.1515/ncrs-2021-0254","","","0.71075","MoKα","","0.0269","0.026","","","0.0695","0.0701","","","","","","1.053","","","","has coordinates","272871","2022-02-09","09:49:24",""
"8104552","9.5931","0.0016","17.332","0.003","9.8989","0.0014","90","","94.902","0.005","90","","1639.8","0.5","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 N2 O5 -","- C7 H6 N2 O5 -","- C56 H48 N16 O40 -","8","2","","Jiayuan, He; Yunzhang, Liu; Kaiyue, Zhang; Lizhen, Chen; Jianlong, Wang","The crystal structure of 3-methyl-2,6-dinitrophenol, C7H6N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1151","1153","10.1515/ncrs-2021-0255","","","0.71073","MoKα","","0.1109","0.0619","","","0.1502","0.1784","","","","","","1.029","","","","has coordinates","272872","2022-02-09","09:53:37",""
"8104553","7.8944","0.0004","8.0678","0.0005","12.6285","0.0009","74.627","0.006","78.654","0.005","63.569","0.005","691.58","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H9 Cl N2 O2 -","- C17 H9 Cl N2 O2 -","- C34 H18 Cl2 N4 O4 -","2","1","","Zhang, Wei; Zhang, Yu; Feng, Song-Hao; Wang, Jing-Jing","The crystal structure of 5-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1155","1156","10.1515/ncrs-2021-0256","","x-ray","1.54184","CuKα","","0.0447","0.0431","","","0.1292","0.1309","","","","","","1.074","","","","has coordinates","272873","2022-02-09","09:59:24",""
"8104554","7.7951","0.0003","9.3511","0.0004","11.3352","0.0004","93.345","0.003","105.499","0.004","104.913","0.004","762.19","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Co N2 O20 -","- C28 H28 Co N2 O20 -","- C28 H28 Co N2 O20 -","1","0.5","","Du, Xigang","Crystal structure of trans-tetraaqua-bis{2-carboxy-4-((5-carboxypyridin-3-yl)oxy)benzoato-κ1 N}cobalt(II) dihydrate C28H28O20N2Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1157","1159","10.1515/ncrs-2021-0257","","x-ray","0.71073","MoKα","","0.0378","0.0339","","","0.0781","0.0798","","","","","","1.053","","","","has coordinates","272874","2022-02-09","10:13:32",""
"8104555","24.193","0.004","5.8614","0.001","13.873","0.003","90","","93.168","0.003","90","","1964.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br O2 -","- C23 H23 Br O2 -","- C92 H92 Br4 O8 -","4","1","","Xu, Xue-Li; Li, Jihong","Crystal structure of 3-allyl-4-(2-bromoethyl)-5-(4-methoxyphenyl)-2-(p-tolyl)furan, C23H23BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1161","1163","10.1515/ncrs-2021-0258","","","0.71073","MoKα","","0.0458","0.0316","","","0.0864","0.0915","","","","","","1.017","","","","has coordinates","272875","2022-02-09","10:17:12",""
"8104556","11.3366","0.0011","11.0253","0.0011","23.716","0.002","90","","100.839","0.002","90","","2911.4","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Cl2 N3 O10 Ti -","- C28 H27 Cl2 N3 O10 Ti -","- C112 H108 Cl8 N12 O40 Ti4 -","4","1","","Li, Shanjia; Wang, Peng; Ji, Mingyu; Yang, Mingjun; Pu, Xiuying; Zhao, Tiankun","The crystal structure of 6,6′-(((2-(dimethylamino)ethyl)azanediyl)bis(methylene))bis(benzo[d][1,3]dioxol-5-ol ato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)-titanium(IV)-dichloromethane(1/1), C27H25N3O10Ti","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1165","1167","10.1515/ncrs-2021-0260","","x-ray","0.71073","MoKα","","0.1596","0.0615","","","0.1155","0.1411","","","","","","0.901","","","","has coordinates,has disorder","272876","2022-02-09","10:20:07",""
"8104557","12.5131","0.0007","16.4675","0.0009","8.1488","0.0004","90","","107.361","0.005","90","","1602.64","0.15","170","0.1","170","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N10 O6 -","- C10 H16 N10 O6 -","- C40 H64 N40 O24 -","4","0.5","","Jin, Ze-Sen; Liu, E.; Liu, Xiao-Jing; Li, Zhuang-Yu; Jian, Fang-fang; Liang, Tongling","Crystal structure of (((1E,1′E)-1,2-phenylenebis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(aminomethaniminium) dinitrate C10H16N10O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1169","1170","10.1515/ncrs-2021-0263","","x-ray","0.71073","MoKα","","0.0452","0.038","","","0.1138","0.118","","","","","","1.108","","","","has coordinates","272877","2022-02-09","10:24:57",""
"8104558","14.7476","0.0015","19.6335","0.0019","10.8116","0.0011","90","","104.334","0.002","90","","3033","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 N8 Ni O8 -","- C28 H34 N8 Ni O8 -","- C112 H136 N32 Ni4 O32 -","4","1","","Xi, Fei; Gao, Yan-Hong; Tang, Bo; Ge, Hong-Guang; Wang, Qin; Lu, Jiu-Fu","Crystal structure of catena-poly[triaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ 1 O)nickel(II)]N,N′-dimethylformamide (1/1), C28H35N8O8Ni","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1171","1173","10.1515/ncrs-2021-0264","","","0.71073","MoKα","","0.1098","0.0548","","","0.0829","0.0961","","","","","","1.025","","","","has coordinates","272878","2022-02-09","10:28:15",""
"8104559","8.593","0.0004","12.0814","0.0005","12.243","0.0005","69.805","0.002","75.282","0.001","86.733","0.002","1153.07","0.09","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cl4 N4 O -","- C19 H24 Cl4 N4 O -","- C38 H48 Cl8 N8 O2 -","2","1","","Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng","The crystal structure of 3,3′-[1,4-phenylenebis(methylene)]bis(1-ethenyl-1H-imidazol-3-ium) dichloride – dichloromethane – water (1/1/1), C19H24Cl4N4O1","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1175","1177","10.1515/ncrs-2021-0266","","","0.71073","MoKα","","0.0507","0.0411","","","0.0981","0.1053","","","","","","1.028","","","","has coordinates,has disorder","272879","2022-02-09","10:31:33",""
"8104560","25.252","0.003","8.3297","0.0009","23.268","0.002","90","","116.271","0.001","90","","4388.7","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 F12 N4 P2 -","- C13 H22 F12 N4 P2 -","- C104 H176 F96 N32 P16 -","8","2","","Liu, Xin-Ting; Nie, Xu-Liang; Chen, Shi-Shun; Wu, Su-Qin; Xiong, Wan-Ming","Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C13H22F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1179","1182","10.1515/ncrs-2021-0269","","","0.71073","MoKα","","0.1032","0.0661","","","0.1859","0.2191","","","","","","1.045","","","","has coordinates,has disorder","272880","2022-02-09","10:34:28",""
"8104561","13.4238","0.0001","18.2079","0.0002","5.7617","0.0001","90","","95.506","0.001","90","","1401.77","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl4 Sn -","- C12 H8 Cl4 Sn -","- C48 H32 Cl16 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)tin(IV), C12H8Cl4Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1183","1185","10.1515/ncrs-2021-0271","","","1.54184","CuKα","","0.0274","0.0272","","","0.0795","0.0798","","","","","","1.081","","","","has coordinates","272881","2022-02-09","10:37:08",""
"8104562","10.132","0.002","10.654","0.002","11.73","0.002","90.31","0.03","102.38","0.03","104.81","0.03","1193.2","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H12 O -","- C18 H12 O -","- C72 H48 O4 -","4","2","","Ran, Zhang; Hui, Wang; Bao-Xi, Miao; Li-Fang, Zhang","Synthesis and crystal structure of 4-acetylpyrene, C18H12O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1187","1190","10.1515/ncrs-2021-0272","","","0.71073","MoKα","","0.0529","0.0403","","","0.1004","0.1037","","","","","","0.978","","","","has coordinates","272882","2022-02-09","10:40:28",""
"8104563","11.0474","0.0003","6.0853","0.0002","13.9881","0.0004","90","","104.271","0.002","90","","911.36","0.05","100","2","99.94","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C40 H48 N4 O8 -","2","1","","Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.","Crystal structure of 2,2′-(butane-1,4-diylbis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol), C20H24N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1191","1193","10.1515/ncrs-2021-0273","","","1.54184","CuKα","","0.0333","0.029","","","0.0705","0.0728","","","","","","1.06","","","","has coordinates","272883","2022-02-09","10:44:25",""
"8104564","11.064","0.003","11.538","0.003","12.257","0.003","107.146","0.003","96.968","0.003","117.85","0.003","1258.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H21 N3 O S2 Sn -","- C27 H21 N3 O S2 Sn -","- C54 H42 N6 O2 S4 Sn2 -","2","1","","Sun, Junshan","The crystal structure of (E)-2-(((5-((triphenylstannyl)thio)-1,3,4-thiadiazol-2-yl)imino)methyl)phenol, C27H21N3OS2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1195","1197","10.1515/ncrs-2021-0275","","","0.71073","MoKα","","0.0453","0.0316","","","0.0617","0.0664","","","","","","1.061","","","","has coordinates","273048","2022-02-21","09:14:48",""
"8104565","9.469","0.0006","12.9374","0.0006","13.2303","0.0007","63.395","0.005","74.291","0.005","69.113","0.005","1341.9","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N3 O8 Pb -","- C27 H29 N3 O8 Pb -","- C54 H58 N6 O16 Pb2 -","2","1","","Tai, Xi-Shi; Liang, Lei; Li, Xiang-Tao; Cao, Shu-Hua; Wang, Li-Hua","Crystal structure of diaqua-bis(μ2-6-phenylpyridine-2-carboxylate-κ3N,O:O)-bis(6-phenylpyridine-2-carboxylato-κ2N,O)lead(II) – N,N-dimethylformamide – water (1/2/4), C54H58N6O16Pb2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1199","1201","10.1515/ncrs-2021-0277","","x-ray","0.71073","MoKα","","0.0333","0.0284","","","0.0464","0.0484","","","","","","0.99","","","","has coordinates","273049","2022-02-21","09:27:15",""
"8104566","5.5523","0.0007","12.761","0.0017","15.374","0.002","90","","90","","90","","1089.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 4-acetoxy-3-methoxybenzoate","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Xiao, Pan-Lei; Song, Xiu-Ying; Yang, Chen-Yu; Nie, Xu-Liang; Wang, Yi-Hua","Crystal structure of methyl 4-acetoxy-3-methoxybenzoate, C11H12O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1203","1205","10.1515/ncrs-2021-0278","","","0.71073","MoKα","","0.0309","0.0273","","","0.0749","0.0787","","","","","","1.03","","","","has coordinates","273050","2022-02-21","09:33:59",""
"8104567","19.3063","0.0004","5.832","0.0001","14.7996","0.0003","90","","92.715","0.001","90","","1664.48","0.06","100","2","100.07","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Orang-o, Daniel M.; Onani, Martin O.; Tarus, Paul K.; Lutta, Samuel T.; Lalancette, Roger A.","Crystal structure of 2,2′-(propane-1,3-dilylbis(azaneylylidene))bis(methanylylidene)bis(4-methylphenol), C19H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1207","1209","10.1515/ncrs-2021-0279","","","1.54178","CuKα","","0.0464","0.0423","","","0.1076","0.1102","","","","","","1.03","","","","has coordinates","273051","2022-02-21","09:39:34",""
"8104568","8.2912","0.0001","9.6221","0.0001","18.5616","0.0002","90","","90","","90","","1480.82","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl2 Sn -","- C14 H14 Cl2 Sn -","- C56 H56 Cl8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-methylphenyl-κC 1)tin(IV), C14H14Cl2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1211","1213","10.1515/ncrs-2021-0281","","","1.54184","CuKα","","0.0143","0.0142","","","0.0346","0.0347","","","","","","1.035","","","","has coordinates","273052","2022-02-21","09:44:06",""
"8104569","16.071","0.006","9.424","0.004","7.64","0.003","90","","101.861","0.005","90","","1132.4","0.8","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","methyl (E)-3-(4-acetoxyphenyl)acrylate","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Gu, Jia; Song, Xiu-Ying; Wang, Gui-Shu; Peng, Jun; Nie, Xu-Liang","Crystal structure of methyl (E)-3-(4-acetoxyphenyl)acrylate, C12H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1215","1217","10.1515/ncrs-2021-0282","","","0.71073","MoKα","","0.0447","0.0366","","","0.0947","0.1043","","","","","","1.049","","","","has coordinates","273053","2022-02-21","09:50:49",""
"8104570","17.2971","0.0003","14.4409","0.0003","9.5617","0.0002","90","","90.58","0.002","90","","2388.25","0.08","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cu0.5 N O2 -","- C14 H11 Cu0.5 N O2 -","- C112 H88 Cu4 N8 O16 -","8","1","","Yang, Fei; Liu, Pengju; Guo, Libing; Xian, Dong","The crystal structure of bis(benzoato-κ2 O,O′)-(2,9-dimethyl-1,10-phenanthroline-κ2 N,N′)-copper(II), C28H22CuN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1219","1221","10.1515/ncrs-2021-0283","","x-ray","1.54184","CuKα","","0.0567","0.0536","","","0.1365","0.1406","","","","","","1.083","","","","has coordinates","273054","2022-02-21","09:54:55",""
"8104571","10.4368","0.0001","10.4368","0.0001","61.5166","0.0011","90","","90","","90","","6700.81","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C37 H56 N O4.5 -","- C37 H56 N O4.5 -","- C296 H448 N8 O36 -","8","1","","Luo, Qin; Meng, Qing-Guo; Hou, Gui-Ge; Jiang, Sheng; Jin, Yong-Sheng; Gao, Yue","Crystal structure of (8R,10R,14R,Z)-12-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one–water (2/1), C37H56NO4.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1223","1226","10.1515/ncrs-2021-0284","","x-ray","1.54178","CuKα","","0.076","0.0557","","","0.1256","0.135","","","","","","1.121","","","","has coordinates,has disorder","273055","2022-02-21","09:59:36",""
"8104572","12.9848","0.0002","18.9911","0.0002","6.055","0.0001","90","","99.136","0.001","90","","1474.19","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 Sn -","- C14 H14 Br2 Sn -","- C56 H56 Br8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","Crystal structure of dimethyl-bis(4-bromophenyl-κC 1)tin(IV), C14H14Br2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1227","1229","10.1515/ncrs-2021-0287","","","1.54184","CuKα","","0.0201","0.0193","","","0.0483","0.049","","","","","","1.058","","","","has coordinates","273056","2022-02-21","10:02:55",""
"8104573","7.609","0.004","13.938","0.006","19.19","0.009","77.599","0.007","89.846","0.007","79.841","0.007","1955.2","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H54 Cl2 F24 O16 Sn8 -","- C58 H54 Cl2 F24 O16 Sn8 -","- C58 H54 Cl2 F24 O16 Sn8 -","1","0.5","","Sun, Junshan","The crystal structure of the cocrystal di-μ2-chlorido-octamethyl-di-μ3-oxido-bis(2,3,4,5-tetrafluorobenzoato-κ2 O,O′)tetratin(IV) ─ octamethyl-di-μ3-oxido-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O′)-bis(μ2-2,3,4,5-tetrafluorobenzoato-κ2 O:O;O′)tetratin(IV) C58H54Cl2F24O16Sn8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1231","1233","10.1515/ncrs-2021-0288","","","0.71073","MoKα","","0.1019","0.0578","","","0.1418","0.166","","","","","","1.013","","","","has coordinates","273057","2022-02-21","10:05:09",""
"8104574","19.762","0.003","24.69","0.004","12.106","0.002","90","","113.696","0.002","90","","5408.8","1.5","296","2","296.15","","","","","","","","","7","C 1 c 1","C -2yc","9","","3-iodo-N-(2-methanesulfonyl- 1,1-dmethylethyl)-N'-(2-methyl-4-(1,2,2,2-tetrafluoro-1- trifluoromethylethyl)phenyl)phthalamide","","- C184 H176 F56 I8 N16 O32 S8 -","- C184 H176 F56 I8 N16 O32 S8 -","- C184 H176 F56 I8 N16 O32 S8 -","1","0.25","","Luo, Juan; Wang, Jie; Qiu, Gao-Yan; Xiong, Wan-Ming; Peng, Da-Yong","Crystal structure of 3-iodo-N 2-(2-methyl-1-(methylsulfonyl)propan-2-yl)-N 1-(2-methyl-4-(perfluoropropan-2-yl)phenyl)phthalamide, C23H22F7I1N2O4S1","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1235","1238","10.1515/ncrs-2021-0289","","","0.71073","MoKα","","0.0582","0.0488","","","0.1313","0.1411","","","","","","1.043","","","","has coordinates,has disorder","273058","2022-02-21","10:09:23",""
"8104575","11.7627","0.0007","11.8731","0.0009","11.924","0.0007","76.952","0.003","85.718","0.006","60.534","0.003","1411.16","0.17","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Br Cl2 N O2 S -","- C31 H26 Br Cl2 N O2 S -","- C62 H52 Br2 Cl4 N2 O4 S2 -","2","1","","Zhu, Lei; Wang, Jiao; Zhao, Jingzhe; Miao, Shaobin","Crystal structure of 1-(2-(4-bromophenyl)-2,3-dihydro-1H-benzo[e]indol-1-yl)-naphthalen-2-ol – dichloromethane – dimethyl sulfoxide (1/1/1), C28H18BrNO·CH2Cl2·C2H6SO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1239","1241","10.1515/ncrs-2021-0290","","","0.71073","MoKα","","0.0524","0.0497","","","0.134","0.1365","","","","","","1.044","","","","has coordinates","273059","2022-02-21","10:12:33",""
"8104576","8.657","0.002","15.233","0.004","11.956","0.003","90","","102.737","0.002","90","","1537.9","0.7","93","2","93","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H48 Cl2 N4 Ni O10 S2 -","- C20 H48 Cl2 N4 Ni O10 S2 -","- C40 H96 Cl4 N8 Ni2 O20 S4 -","2","0.5","","Rabi, Saswata; Dey, Lucky; Palit, Debashis; Dey, Benu Kumar; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Crystal structure of [meso-5,7,7,12,14,14,-hexamethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) diperchlorate – dimethylsulphoxide (1/2), C20H48Cl2N4NiO10S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1243","1245","10.1515/ncrs-2021-0291","","","0.71075","MoKα","","0.0251","0.0237","","","0.0648","0.0655","","","","","","1.061","","","","has coordinates","273060","2022-02-21","10:17:03",""
"8104577","16.658","0.002","10.398","0.003","17.284","0.002","90","","116.928","0.003","90","","2669.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N6 Pd S4 -","- C26 H18 N6 Pd S4 -","- C104 H72 N24 Pd4 S16 -","4","0.5","","Liu, Xue-Guo; Pan, Hui-Yan","Crystal structure of 1,1′-(1,3-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S) palladium(II), C26H18N6PdS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1247","1249","10.1515/ncrs-2021-0292","","","0.71073","MoKα","","0.0372","0.033","","","0.0892","0.0912","","","","","","1.026","","","","has coordinates","273061","2022-02-21","10:22:04",""
"8104578","11.2454","0.0006","13.596","0.0007","14.0076","0.0008","79.019","0.005","71.729","0.005","76.126","0.005","1958.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cu N2 O4 -","- C24 H16 Cu N2 O4 -","- C96 H64 Cu4 N8 O16 -","4","2","","Wang Li-Hua; Liang Lei; Li Xiang-Tao; Cao Shu-Hua; Tai Xi-Shi","The crystal structure of bis(6-phenylpyridine-2-carboxylato-k2 N,O)copper(II), C24H16N2O4Cu","Zeitschrift fur Kristallographie - New Crystal Structures","2021","236","","1251","1253","10.1515/ncrs-2021-0293","","x-ray","0.71073","MoKα","","0.0582","0.0438","","","0.0933","0.103","","","","","","1.053","","","","has coordinates","273062","2022-02-21","10:37:39",""
"8104579","10.8019","0.0001","14.6976","0.0001","13.6266","0.0001","90","","90.983","0.001","90","","2163.07","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 As2 Cl4 O2 Sn -","- C48 H38 As2 Cl4 O2 Sn -","- C96 H76 As4 Cl8 O4 Sn2 -","2","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-chlorophenyl-κC)-bis(triphenylarsine oxide-κO)tin(IV), C48H38As2Cl4O2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1255","1257","10.1515/ncrs-2021-0294","","","1.54184","CuKα","","0.0206","0.0199","","","0.0509","0.0514","","","","","","1.047","","","","has coordinates","273063","2022-02-21","10:40:59",""
"8104580","10.9817","0.0006","23.833","0.0015","9.7379","0.0007","90","","94.705","0.005","90","","2540.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2.2.2-cryptand)-potassium cyclopentadienide","(4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ^8^N~2~,O~6~) potassium cyclopentadienide","","- C23 H41 K N2 O6 -","- C23 H41 K N2 O6 -","- C92 H164 K4 N8 O24 -","4","1","","Fischer, Christina; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane-κ 8 N 2, O 6) potassium cyclopentadienide, [K([2.2.2]crypt)]Cp, C23H41KN2O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1259","1261","10.1515/ncrs-2021-0296","","","0.71073","MoKα","","0.0583","0.0327","","","0.0642","0.0682","","","","","","0.866","","","","has coordinates","273064","2022-02-21","10:43:41",""
"8104581","10.0269","0.0007","14.1702","0.001","20.075","0.0014","90","","100.298","0.001","90","","2806.4","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Hydroxypyridine-3-carboxylic acid manganese(II)","","- C27 H28 Mn N4 O9 -","- C27 H28 Mn N4 O9 -","- C108 H112 Mn4 N16 O36 -","4","1","","Men, Xiaoxia; Zhang, Zhongyu; Li, Xiaoli; Sun, Weiqin","The crystal structure of bis(2-oxidopyridin-1-ium-3-carboxylato-κ2 O,O′)-(phenantroline-κ2 N,N′)manganese(II) - methanol (1/3), C27H28N4O9Mn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1263","1265","10.1515/ncrs-2021-0297","","","0.71073","MoKα","","0.0752","0.0403","","","0.0847","0.0985","","","","","","0.999","","","","has coordinates","273065","2022-02-21","10:46:07",""
"8104582","10.9372","0.0001","23.1045","0.0001","11.1856","0.0001","90","","106.942","0.001","90","","2703.91","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br2 Cl3 N2 Sn -","- C25 H23 Br2 Cl3 N2 Sn -","- C100 H92 Br8 Cl12 N8 Sn4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of 4-(dimethylamino)pyridinium dibromido-tris(4-chlorophenyl-κC)stannate(IV), C25H23Br2Cl3N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1267","1269","10.1515/ncrs-2021-0298","","","1.54184","CuKα","","0.0172","0.0167","","","0.039","0.0393","","","","","","1.066","","","","has coordinates","273086","2022-02-22","09:30:00",""
"8104583","8.7887","0.0004","11.2517","0.0006","13.7609","0.0007","74.962","0.004","81.084","0.004","71.259","0.004","1240.68","0.11","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C27 H20 Cl2 F2 N2 O3 S -","- C27 H20 Cl2 F2 N2 O3 S -","- C54 H40 Cl4 F4 N4 O6 S2 -","2","1","","Gao, Zhong-Fei; Wang, Lei; Hou, Gui-Ge; Wang, Chun-Hua","Crystal structure of (3E,5E)-1-(4-cyanobenzenesulfonyl)-3,5-bis(3-fluorobenzylidene)piperidin-4-one-dichloromethane (1/1), C27H20Cl2F2N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1271","1274","10.1515/ncrs-2021-0299","","","0.71073","MoKα","","0.0762","0.0582","","","0.1383","0.1543","","","","","","1.026","","","","has coordinates,has disorder","273087","2022-02-22","09:32:44",""
"8104584","7.8831","0.0004","11.9591","0.0007","13.3258","0.0007","69.072","0.005","88.556","0.004","73.73","0.005","1122.48","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 F5 N O3 S -","- C26 H18 F5 N O3 S -","- C52 H36 F10 N2 O6 S2 -","2","1","","Gao, Zhong-Fei; Wang, Lei; Hou, Gui-Ge; Zhang, Xiao-Fan","Crystal structure of (3E,5E)-3,5-bis(4-fluorobenzylidene)-1-((4-trifluoromethyl)benzenesulfonyl)piperidin-4-one, C26H18F5NO3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1275","1278","10.1515/ncrs-2021-0300","","","0.71073","MoKα","","0.0674","0.0507","","","0.1097","0.1216","","","","","","1.041","","","","has coordinates","273088","2022-02-22","09:36:13",""
"8104585","12.114","0.007","12.254","0.008","13.186","0.008","71.659","0.01","84.744","0.01","89.725","0.01","1850","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl N2 O Pt -","- C19 H17 Cl N2 O Pt -","- C76 H68 Cl4 N8 O4 Pt4 -","4","2","","Khan, Arshad; Usman, Rabia; Refat, Moamen S.; Alosaimi, Abeer M.; Alghamdi, Mohammed T.; Rahman, Faiz-Ur","Crystal structure of chlorido-(4-methyl-2-((phenylimino)methyl)phenolato-κ2 N,O)-(pyridine-κ1 N)platinum(II), C19H17ClN2OPt","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1279","1281","10.1515/ncrs-2021-0301","","","0.71073","MoKα","","0.0775","0.0511","","","0.1446","0.1644","","","","","","1.028","","","","has coordinates","273089","2022-02-22","09:38:40",""
"8104586","11.6061","0.0002","19.7791","0.0004","11.1982","0.0003","90","","116.278","0.003","90","","2304.98","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl O2 P -","- C26 H28 Cl O2 P -","- C104 H112 Cl4 O8 P4 -","4","1","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (4-methylbenzyl)(triphenyl)phosphonium chloride dihydrate, C26H28ClO2P","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1283","1285","10.1515/ncrs-2021-0305","","","1.54184","CuKα","","0.0417","0.0373","","","0.1001","0.1034","","","","","","1.042","","","","has coordinates","273090","2022-02-22","09:41:49",""
"8104587","9.0071","0.0018","9.4931","0.0019","13.642","0.003","90","","90","","90","","1166.5","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag Cl N2 -","- C12 H12 Ag Cl N2 -","- C48 H48 Ag4 Cl4 N8 -","4","1","","Fang, Jianghua; Hu, Minjie; Li, Ying; Xu, Weihong","The crystal structure of poly[μ2-chlorido-(μ2-1,2-bis(4-pyridyl)ethane-κ 2 N:N′silver(I)], C12H12AgClN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1287","1289","10.1515/ncrs-2021-0307","","","0.71073","MoKα","","0.0163","0.016","","","0.0369","0.037","","","","","","1.1","","","","has coordinates","273091","2022-02-22","09:44:43",""
"8104588","11.1387","0.0015","10.3933","0.0014","12.2891","0.0017","90","","105.319","0.002","90","","1372.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cd N4 O6 -","- C11 H15 Cd N4 O6 -","- C44 H60 Cd4 N16 O24 -","4","1","","Long, Yuhong; Hu, Xiaoyu; Ran, Jingwen","Crystal structure of poly[(μ 4-benzene-1,2,4,5-tetracarboxylato)-bis(μ 2-adipohydrazide)dicadmium], C11H15N4O6Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1291","1293","10.1515/ncrs-2021-0309","","","0.71073","MoKα","","0.0467","0.0286","","","0.0436","0.0477","","","","","","1.027","","","","has coordinates","273092","2022-02-22","09:47:54",""
"8104589","19.9676","0.0019","8.4674","0.0007","12.4082","0.001","90","","90","","90","","2097.9","0.3","173","2","173","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","<i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide hydrate","","- C20 H28 N6 O3 -","- C20 H28 N6 O3 -","- C80 H112 N24 O12 -","4","0.5","","Setshedi, Itumeleng B.; Lemmerer, Andreas; Smith, Mark G.","The crystal structure of (E)-N′-(butan-2-ylidene)isonicotinohydrazide 0.5 hydrate C10H13N3O·0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1295","1296","10.1515/ncrs-2021-0311","","x-ray","0.71073","MoKα","","0.0307","0.0299","","","0.0839","0.0849","","","","","","1.073","","","","has coordinates","273093","2022-02-22","09:52:39",""
"8104590","29.3891","0.0018","10.326","0.0005","19.9101","0.0011","90","","106.837","0.006","90","","5783.1","0.6","199.99","0.1","199.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O5 Zn -","- C34 H26 N4 O5 Zn -","- C272 H208 N32 O40 Zn8 -","8","1","","Wang, Li-Hua; Wang, Zi-Jian; Ouyang, Jian; Tai, Xi-Shi","The crystal structure of bis(6-phenylpyridine-2-carboxylate-κ2 N,O)-(2,2′-bipyridine-κ2 N,N′)zinc(II) monohydrate, C34H26N4O5Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1297","1299","10.1515/ncrs-2021-0312","","x-ray","0.71073","MoKα","","0.0434","0.0334","","","0.0715","0.0759","","","","","","1.07","","","","has coordinates","273094","2022-02-22","09:55:33",""
"8104591","10.3707","0.0002","12.0232","0.0002","15.7744","0.0003","90","","90.907","0.001","90","","1966.65","0.06","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>R</i>^*^,2<i>S</i>^*^)-1,2-bis(2-fluorophenyl)- 3,8-dimethoxyacenaphthene-1,2-diol","","- C26 H20 F2 O4 -","- C26 H20 F2 O4 -","- C104 H80 F8 O16 -","4","1","","Iitsuka, Hiroaki; Li, Kun; Kobayashi, Miyuki; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko","The crystal structure of (1R *,2S *)-1,2-bis(2-fluorophenyl)-3,8-dimethoxyacenaphthene-1,2-diol, C26H20F2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1301","1304","10.1515/ncrs-2021-0314","","x-ray","1.54187","CuKα","","0.0385","0.0371","","","0.1001","0.1013","","","","","","1.055","","","","has coordinates,has disorder","273095","2022-02-22","10:00:14",""
"8104592","9.0684","0.0006","21.549","0.001","9.1728","0.0007","90","","118.101","0.01","90","","1581.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Ag N6 O3 -","- C13 H15 Ag N6 O3 -","- C52 H60 Ag4 N24 O12 -","4","1","","Chen, Yan","Crystal structure of catena-poly[(μ2-1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzotriazole-κ2N:N′)-(nitrato-κ2O,O′)silver (I)], C13H15Ag1N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1305","1307","10.1515/ncrs-2021-0316","","x-ray","0.71073","MoKα","","0.0708","0.0425","","","0.0727","0.0877","","","","","","1.041","","","","has coordinates","273096","2022-02-22","10:03:10",""
"8104593","10.638","0.0005","10.6639","0.0005","26.5443","0.0015","90","","90","","90","","3011.3","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Co N4 O5 -","- C36 H26 Co N4 O5 -","- C144 H104 Co4 N16 O20 -","4","1","","Tai, Xi-Shi; Wang, Zi-Jian; Ouyang, Jian; Li, Yun-Fei; Zhang, Wei; Jia, Wen-Lei; Wang, Li-Hua","The crystal structure of [(phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)cobalt(II)]monohydrate, C36H26N4O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1309","1311","10.1515/ncrs-2021-0319","","x-ray","0.71073","MoKα","","0.0387","0.033","","","0.0652","0.0681","","","","","","1.044","","","","has coordinates","273097","2022-02-22","10:05:40",""
"8104594","14.603","0.002","24.059","0.004","10.138","0.0016","90","","93.141","0.003","90","","3556.5","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-N'-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene] hydrazine-1-carbohydrazonamide","","- C17 H17 Cl2 N5 -","- C17 H17 Cl2 N5 -","- C136 H136 Cl16 N40 -","8","2","","Atioğlu, Zeliha","Crystal structure of (1E)- N′-[(1E)-1-(4-chlorophenyl)ethylidene]-2-[1-(4-chlorophenyl)ethylidene]hydrazine-1-carbohydrazonamide, C 17 H 17 Cl 2 N 5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1313","1316","10.1515/ncrs-2021-0322","","","0.71073","MoKα","","0.1068","0.0512","","","0.1162","0.1416","","","","","","1.008","","","","has coordinates,has disorder","273098","2022-02-22","10:08:51",""
"8104595","9.072","0.003","5.882","0.002","21.258","0.007","90","","100.351","0.004","90","","1115.9","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-2-((tert-butylimino)methyl)-4-chlorophenol","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C44 H56 Cl4 N4 O4 -","4","1","","Yuan, Lin; Li, Yuan-Da; Fan, Xu; Li, Zhong-Yan","The crystal structure of (E)-2-((tert-butylimino)methyl)-4-chlorophenol, C11H14ClNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1317","1318","10.1515/ncrs-2021-0323","","","0.71073","MoKα","","0.0447","0.0391","","","0.1096","0.1167","","","","","","1.029","","","","has coordinates","273099","2022-02-22","10:11:29",""
"8104596","8.399","0.0014","8.399","0.0014","9.6208","0.0017","90","","90","","120","","587.76","0.17","300.15","","300.15","","","","","","","","","6","P 3 1 c","P 3 -2c","159","","all-<i>cis</i> -2,4,6-trihydroxycyclohexane-1,3,5-triaminium chloride sulfate","","- C6 H18 Cl N3 O7 S -","- C6 H18 Cl N3 O7 S -","- C12 H36 Cl2 N6 O14 S2 -","2","0.333333","","Velcheva, Vyara; Hegetschweiler, Kaspar; Gencheva, Galina","Crystal structure of all-cis-2,4,6-trihydroxycyclohexane- 1,3,5-triaminium chloride sulfate, C6H18ClN3O7S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1319","1321","10.1515/ncrs-2021-0324","","","0.71073","MoKα","","0.0595","0.0497","","","0.1336","0.1404","","","","","","1.127","","","","has coordinates","273100","2022-02-22","10:13:48",""
"8104597","8.3295","0.0001","10.5647","0.0001","12.0078","0.0001","90","","96.612","0.001","90","","1049.64","0.018","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 Cl2 O2 S2 Sn -","- C18 H26 Cl2 O2 S2 Sn -","- C36 H52 Cl4 O4 S4 Sn2 -","2","0.5","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(dimethyl sulfoxide-κO)bis(4-methylphenyl-κC 1)tin(IV), C18H26Cl2O2S2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1323","1325","10.1515/ncrs-2021-0325","","","1.54184","CuKα","","0.0178","0.0174","","","0.0451","0.0455","","","","","","1.111","","","","has coordinates","273101","2022-02-22","10:17:06",""
"8104598","10.0393","0.0001","14.449","0.0002","14.1502","0.0002","90","","92.846","0.001","90","","2050.07","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 Sn -","- C22 H16 Cl4 N2 Sn -","- C88 H64 Cl16 N8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-chlorophenyl-κC 1)(2,2′-bipyridyl-κ 2 N,N′)tin(IV), C22H16Cl4N2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1327","1329","10.1515/ncrs-2021-0326","","","1.54184","CuKα","","0.0234","0.0224","","","0.0584","0.059","","","","","","1.024","","","","has coordinates","273102","2022-02-22","10:20:13",""
"8104599","14.48","0.02","3.956","0.006","13.765","0.019","90","","99.266","0.015","90","","778.2","1.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-5-bromo-2-hydroxybenzaldehyde oxime","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Yuan, Lin; Zhu, Hong-Yu; Kuang, Jin-Hao; Li, Zhong-Yan","Redetermination of the crystal structure of (E)-5-bromo-2-hydroxybenzaldehyde oxime, C 7 H 6 BrNO 2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1331","1332","10.1515/ncrs-2021-0327","","","0.71073","MoKα","","0.0265","0.0236","","","0.057","0.0584","","","","","","1.034","","","","has coordinates","273103","2022-02-22","10:24:46",""
"8104600","14.187","0.015","10.585","0.011","11.952","0.013","90","","113.851","0.016","90","","1642","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2E)-1-(diaminomethylidene)-2-[(4-methylphenyl)methylidene]hydrazin-1-ium 4-methylbenzoic acid","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C68 H80 N16 O8 -","4","1","","Atioğlu, Zeliha; Kekeçmuhammed, Hüseyin","The crystal structure of (E)-amino(2-(4-methylbenzylidene)hydrazineyl)methaniminium 4-methylbenzoate, C9H13N4 + C8H7O2 −","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1333","1335","10.1515/ncrs-2021-0330","","","0.71073","MoKα","","0.0728","0.0479","","","0.1226","0.1408","","","","","","1.026","","","","has coordinates","273104","2022-02-22","10:31:48",""
"8104601","7.4339","0.0012","8.2564","0.0014","12.184","0.002","108.804","0.006","93.672","0.005","94.373","0.006","702.7","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C30 H32 Cl2 N2 O4 -","2","1","","Deng, Zu-Shuai; Luo, Peng; Pan, Wei-Gao","Crystal structure of 2-chloro-3-(isopentylamino)naphthalene-1,4-dione, C 15 H 16 ClNO 2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1337","1339","10.1515/ncrs-2021-0333","","","0.71073","MoKα","","0.1033","0.065","","","0.1719","0.1974","","","","","","1.02","","","","has coordinates","273105","2022-02-22","10:35:24",""
"8104602","12.467","0.003","39.168","0.008","7.6005","0.0016","90","","90","","90","","3711.4","1.4","296.15","","296.15","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H42 O17 -","- C38 H42 O17 -","- C152 H168 O68 -","4","1","","Liu, Juan; Chen, Sai; Li, Honglei","The crystal structure of bis(2-acetyl-5-methoxyphenyl)carbonate 1.5 hydrate, C19H18O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1341","1343","10.1515/ncrs-2021-0336","","","0.71073","MoKα","","0.0626","0.044","","","0.0965","0.1054","","","","","","1.021","","","","has coordinates","273106","2022-02-22","10:38:19",""
"8104603","7.5223","0.0006","8.0977","0.0008","11.7739","0.0011","76.41","0.008","75.495","0.008","75.902","0.008","661.76","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O4 Zn -","- C16 H13 N O4 Zn -","- C32 H26 N2 O8 Zn2 -","2","1","","Chen, Hai-Lin; Yao, Dong-Mei; Wang, Yan-Ping; Lao, Ya-Xin","The crystal structure of poly[(μ 4-4,4′-(azanediylbis(methylene))dibenzoato-κ 4 O:N:O′:Oʺ)zinc(II)], C16H13NO4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1345","1346","10.1515/ncrs-2021-0337","","","0.71073","MoKα","","0.0745","0.0532","","","0.0938","0.1041","","","","","","1.073","","","","has coordinates","273107","2022-02-22","10:41:17",""
"8104604","8.9812","0.0005","6.5212","0.0003","10.6167","0.0006","90","","100.12","0.006","90","","612.13","0.06","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 Mn Mo N2 O4 -","- C12 H8 Mn Mo N2 O4 -","- C24 H16 Mn2 Mo2 N4 O8 -","2","0.5","","Ze-Hai, Qiu; Zhu-Sen, Zhang; Wu-Hua, Chen","The crystal structure of catena-poly[(1,10-phenanthroline-k2 N,N′)-(μ3-tetraoxidomoybdato(VI)-k3 O:O′:O″)manganese(II)] C12H8N2O4MoMn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1347","1349","10.1515/ncrs-2021-0338","","x-ray","0.71073","MoKα","","0.0454","0.0391","","","0.0747","0.0783","","","","","","1.062","","","","has coordinates","273108","2022-02-22","10:50:21",""
"8104605","8.5356","0.0004","27.9494","0.0015","10.3796","0.0006","90","","92.386","0.004","90","","2474.1","0.2","289.1","0.2","289.1","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Ag N4 O8 S -","- C23 H23 Ag N4 O8 S -","- C92 H92 Ag4 N16 O32 S4 -","4","1","","Li, Zhao-Hao; Xie, Gui-Xian; Li, Chen-Yang; Dou, Xiao-Ru","Crystal structure of catena-poly[(4-hydroxyl-5-(methoylcarbonyl)thiophene-2-carboxylato-κ1 O)-(μ2-piperazine-1,4-diylbis(pyridin-4-ylmethanone)-κ2 N:N′)silver(I)] monohydrate, C23H23AgN4O8S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1351","1353","10.1515/ncrs-2021-0339","","x-ray","0.71073","MoKα","","0.0438","0.0347","","","0.0708","0.0744","","","","","","1.076","","","","has coordinates","273109","2022-02-22","10:53:20",""
"8104606","12.6011","0.001","16.5997","0.0008","12.9206","0.0012","90","","119.006","0.011","90","","2363.7","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-{(E) [3-bromopropyl)imino]}-5-bromo phenol-oxovanadium(IV)","","- C20 H20 Br4 N2 O3 V -","- C20 H20 Br4 N2 O3 V -","- C80 H80 Br16 N8 O12 V4 -","4","1","","Wei, Wei; Xia, Juan; Zhang, Wei-Ya; Zhang, Heng-Qiang; Fang, Fu-Jian; Xin, Yang; Zheng, Xiu-Jun","Crystal structure of bis(4-bromo-2-(((3-bromopropyl)imino)methyl)phenolato-κ2N,O)-oxido-vanadium(IV), C20H20Br4N2O3V","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1355","1357","10.1515/ncrs-2021-0340","","","0.71073","MoKα","","0.0914","0.0518","","","0.093","0.1062","","","","","","1.04","","","","has coordinates,has disorder","273154","2022-02-25","08:14:44",""
"8104607","6.4154","0.0001","7.8782","0.0002","17.1555","0.0004","90","","91.021","0.002","90","","866.93","0.03","149.99","0.1","149.99","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C38 H44 O14 -","2","1","","Xu, Xin-Ke; Li, Can-Jie; Tan, Jin-Lin; Zhao, Hai-Yue; Lin, Qiang; Li, Yao-Lan; Zhang, Yu-Bo; Wang, Guo-Cai","The crystal structure of (2a′S,2a1′S,3R,5a′S,7′R)-5-(furan-3-yl)-2a′,2a1′-dihydroxy-7′-methyldecahydro-2H-spiro[furan-3,6′-naphtho[1,8-bc]furan]-2,2′(2a′H)-dione, C19H22O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1359","1361","10.1515/ncrs-2021-0342","","x-ray","1.54184","CuKα","","0.0328","0.0326","","","0.102","0.1028","","","","","","0.926","","","","has coordinates","273155","2022-02-25","08:35:45",""
"8104608","14.3975","0.0012","7.5773","0.0007","12.25","0.001","90","","90","","90","","1336.4","0.2","150","2","149.99","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H4 Br N O2 -","- C6 H4 Br N O2 -","- C48 H32 Br8 N8 O16 -","8","2","","Huang, Guang","The crystal structure of 3-bromopicolinic acid, C6H4BrNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1363","1365","10.1515/ncrs-2021-0343","","","0.71073","MoKα","","0.0387","0.0281","","","0.0505","0.0536","","","","","","1.044","","","","has coordinates","273156","2022-02-25","08:39:32",""
"8104609","8.2661","0.0005","9.1519","0.0006","9.4673","0.0006","70.473","0.001","80.77","0.001","83.34","0.001","664.77","0.07","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N6 Pt S4 -","- C26 H18 N6 Pt S4 -","- C26 H18 N6 Pt S4 -","1","0.5","","Yan, Wei-Hong; Zeng, Xian-Cai","Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S,S) platinum(II), C26H18N6PtS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1367","1369","10.1515/ncrs-2021-0345","","","0.71073","MoKα","","0.0496","0.0477","","","0.1155","0.1168","","","","","","0.8995","","","","has coordinates","273157","2022-02-25","08:43:37",""
"8104610","8.347","0.0002","9.6701","0.0002","12.9523","0.0003","102.413","0.002","103.199","0.002","97.753","0.002","975.26","0.04","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 N O10 S -","- C20 H19 N O10 S -","- C40 H38 N2 O20 S2 -","2","1","","Chen, Hai-Lin; Huang, Xiu-Xiang; Yao, Dong-Mei; Wang, Yan-Ping; Lu, Xiao-Bing","Synthesis and crystal structure of 5-(8-((3-carboxyazetidin-1-ium-1-yl)methyl)-7-hydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzenesulfonate monohydrate, C20H19NO10S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1371","1373","10.1515/ncrs-2021-0346","","x-ray","1.54184","CuKα","","0.0486","0.0439","","","0.1216","0.1244","","","","","","1.119","","","","has coordinates,has disorder","273219","2022-03-03","09:41:54",""
"8104611","7.3026","0.0004","7.4618","0.0004","7.8746","0.0004","81.542","0.003","89.459","0.003","61.718","0.003","372.86","0.04","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H7 Br N2 O2 -","- C6 H7 Br N2 O2 -","- C12 H14 Br2 N4 O4 -","2","1","","Du, Chao-Jun; Niu, De-Long; Yan, Zhen-Li; Zheng, Shi-Li; Zeng, Yan","The crystal structure of 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1375","1376","10.1515/ncrs-2021-0352","","","0.71073","MoKα","","0.0256","0.0209","","","0.0459","0.0473","","","","","","1.033","","","","has coordinates","273220","2022-03-03","09:45:13",""
"8104612","4.9681","0.0004","32.634","0.004","6.2373","0.001","90","","96.244","0.01","90","","1005.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10.5 N2 O2.5 -","- C11 H10.5 N2 O2.5 -","- C44 H42 N8 O10 -","4","1","","Wang, Li-Hua; Tai, Xi-Shi","The crystal structure of (2-hydroxy-5-methyl-phenyl)-(1H-pyrazol-4-yl)-methanone hemihydrate, C11H10.5N2O2.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1377","1378","10.1515/ncrs-2021-0353","","","0.71073","MoKα","","0.1161","0.0595","","","0.0879","0.1112","","","","","","1.051","","","","has coordinates","273221","2022-03-03","09:50:34",""
"8104613","13.3069","0.0009","9.9041","0.0006","8.158","0.0005","90","","106.374","0.007","90","","1031.56","0.12","200","0.1","200","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cd O12 -","- C18 H22 Cd O12 -","- C36 H44 Cd2 O24 -","2","0.5","","Tai, Xi-Shi; Wang, Li-Hua","Crystal structure of tetraaqua-(2-(4-formylphenoxy)acetato-k1 O)cadmium(II), C18H22O12Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1379","1380","10.1515/ncrs-2021-0356","","x-ray","0.71073","MoKα","","0.0262","0.0216","","","0.0492","0.0522","","","","","","1.045","","","","has coordinates","273222","2022-03-03","09:53:08",""
"8104614","6.983","0.005","8.472","0.006","12.113","0.007","88.009","0.011","73.45","0.03","81.793","0.009","679.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl0 N2 O4 -","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","1","0.5","","Yang, Shuai; Dong, Jin-Ling; Chen, Jin-Ming","Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1381","1382","10.1515/ncrs-2021-0358","","","0.71073","MoKα","","0.0676","0.0566","","","0.1737","0.1875","","","","","","1.083","","","","has coordinates","273223","2022-03-03","09:55:11",""
"8104615","7.4495","0.0006","16.5328","0.0013","12.8519","0.001","90","","91.329","0.001","90","","1582.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl F N2 O2.5 -","- C17 H16 Cl F N2 O2.5 -","- C68 H64 Cl4 F4 N8 O10 -","4","1","","Bao, Xiaobo; Tian, Chongchong","Crystal structure of (E)-N′-(1-(3-chloro-4-fluorophenyl)ethylidene)-4-hydroxy – tetrahydrofuran (2/1), C17H16ClFN2O2.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1383","1384","10.1515/ncrs-2021-0357","","","0.71073","MoKα","","0.0644","0.0508","","","0.1371","0.1461","","","","","","1.09","","","","has coordinates,has disorder","273224","2022-03-03","09:59:05",""
"8104616","12.5772","0.0002","17.3473","0.0003","18.8445","0.0003","90","","90","","90","","4111.5","0.12","289.32","0.1","289.32","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Cu I N3 O7 -","- C19 H16 Cu I N3 O7 -","- C152 H128 Cu8 I8 N24 O56 -","8","1","","Lv, Benlian","Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 O,N,O′)-(1,10-phenanothroline-κ2 N,N′)copper(II)] dihydrate, C19H16O7N3CuI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","891","893","10.1515/ncrs-2021-0119","","x-ray","0.71073","MoKα","","0.0341","0.031","","","0.0759","0.0775","","","","","","1.08","","","","has coordinates","273225","2022-03-03","10:02:30",""
"8104617","10.3214","0.0011","21.81","0.002","10.9371","0.0011","90","","108.083","0.003","90","","2340.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Mo8 N8 O26 -","- C24 H44 Mo8 N8 O26 -","- C48 H88 Mo16 N16 O52 -","2","0.5","","Yang, Bingchuan; Lv, Xueyan; Liu, Rutao","The crystal structure of tetrakis(1-isopropyl-1H-imidazolium) octamolybdate, C24H44Mo8N8O26","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","895","897","10.1515/ncrs-2021-0128","","","0.71073","MoKα","","0.0593","0.0423","","","0.0844","0.0893","","","","","","1.116","","","","has coordinates","273226","2022-03-03","10:05:24",""
"8104618","17.9344","0.0003","18.2722","0.0003","9.5619","0.0002","90","","90","","90","","3133.44","0.1","293.28","0.1","293.28","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C30 H25 Cd N11 O8 -","- C30 H25 Cd N11 O8 -","- C120 H100 Cd4 N44 O32 -","4","0.5","","Yin, Wei-Dong; Liu, Qian-Long; Zhao, Ya-Jing; Gong, Xiao-Ru; Li, Gui-Lian","Crystal structure of catena-poly[bis(µ2-3,5-bis(1-imidazolyl)pyridine-κ2 N:N′)-(µ2-3-nitrophthalato-k3 O,O′:O″)cadmium(II)] dihydrate, C30H25N11O8Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","899","902","10.1515/ncrs-2021-0133","","x-ray","0.71073","MoKα","","0.0416","0.0345","","","0.0683","0.0707","","","","","","1.107","","","","has coordinates,has disorder","273227","2022-03-03","10:08:58",""
"8104619","5.1342","0.001","9.6478","0.0018","27.192","0.005","90","","95.42","","90","","1340.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C60 H52 F8 N4 O16 -","4","1","","Yong-Hua, Zhang; Wen, Meng-Yao; Yan, Ke","The crystal structure of diaqua-bis(2-(3-(1H-pyrazol-4-yl)-1H-1,2,4-triazol-5-yl)pyridine-κ2 N:N′)-bis(3,5-dicarboxybenzoato-κ1 O)cobalt(II), C38H30CoN12O14","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","903","905","10.1515/ncrs-2021-0136","","","0.71073","MoKα","","0.0524","0.0434","","","0.113","0.1197","","","","","","1.038","","","","has coordinates","273228","2022-03-03","10:14:10",""
"8104620","11.2329","0.0005","11.7535","0.0005","12.1109","0.0007","70.936","0.005","75.684","0.004","63.266","0.004","1340.14","0.13","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 N6 Ni O9 -","- C26 H26 N6 Ni O9 -","- C52 H52 N12 Ni2 O18 -","2","1","","Yu-Fang, Wang; Zhang, Shu-Qi","Crystal structure of the nickel(II) complex aqua-(2,6-di(pyrazin-2-yl)-4,4′-bipyridine-κ3 N,N′,N′′)-(phthalato-κ2 O,O′)nickel(II) tetrahydrate, C26H26N6O9Ni","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","907","909","10.1515/ncrs-2021-0141","","x-ray","0.71073","MoKα","","0.0363","0.0314","","","0.0721","0.0743","","","","","","1.05","","","","has coordinates","273229","2022-03-03","10:17:14",""
"8104621","7.8502","0.0004","7.9892","0.0004","34.9707","0.0019","90","","92.5","0.001","90","","2191.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F N3 O6 S -","- C21 H20 F N3 O6 S -","- C84 H80 F4 N12 O24 S4 -","4","1","","Gong, Yi-Xia; Geng, Yi-Ding; Zhou, Shu-Jing; Wang, Gui-Yan","The crystal structure of 1-[5-(2-fluorophenyl)-1-(pyridine-3-sulfonyl)-1H-pyrrol-3-yl]-N-methylmethanaminium 3-carboxyprop-2-enoate, C21H20FN3O6S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","911","913","10.1515/ncrs-2021-0146","","","0.71073","MoKα","","0.0624","0.0502","","","0.1279","0.1361","","","","","","1.043","","","","has coordinates,has disorder","273322","2022-03-04","09:20:41",""
"8104622","11.041","0.002","7.8592","0.0016","24.131","0.005","90","","95.26","0.03","90","","2085.1","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","0.5","","Cheng, Jie; Chen, Jue","The crystal structure of 1,2-bis(4-pyridyl)ethane - 4,4-dihydroxydiphenylmethane (1/1), C25H21N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","915","917","10.1515/ncrs-2021-0148","","","0.71073","MoKα","","0.086","0.0486","","","0.1196","0.1402","","","","","","1.002","","","","has coordinates","273323","2022-03-04","09:23:33",""
"8104623","10.3071","0.0003","13.4696","0.0004","16.1893","0.0004","81.467","0.002","77.726","0.002","82.055","0.002","2158.64","0.11","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl4 F6 N10 O12 -","- C34 H36 Cl4 F6 N10 O12 -","- C68 H72 Cl8 F12 N20 O24 -","2","1","","Jin, Ze-Sen; Liu, Xiao-jing; Liu, E.; Liang, Tongling; Jian, Fangfang","Crystal structure of bis(2-((E)-5-chloro-2-hydroxybenzylidene)hydrazineyl)methaniminium trifluoroacetate dihydrate, C34H36Cl4N10O12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","919","922","10.1515/ncrs-2021-0150","","x-ray","1.54184","CuKα","","0.0612","0.0539","","","0.1544","0.1609","","","","","","1.045","","","","has coordinates,has disorder","273324","2022-03-04","09:27:50",""
"8104624","5.1342","0.001","9.6478","0.0018","27.192","0.005","90","","95.42","","90","","1340.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid","","- C15 H13 F2 N O4 -","- C15 H13 F2 N O4 -","- C60 H52 F8 N4 O16 -","4","1","","Zhang, Chun-Yan; Nie, Xu-Liang; Huang, Guo-Ping; Xiong, Yuan-Zhen; Huang, Jian-Ping","Crystal structure of 1-cyclopropyl-7-ethoxy-6,8-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, C15H13F2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","923","925","10.1515/ncrs-2021-0151","","","0.71073","MoKα","","0.0524","0.0434","","","0.113","0.1197","","","","","","1.038","","","","has coordinates","273325","2022-03-04","09:31:30",""
"8104625","13.61","0.02","7.389","0.011","16.34","0.02","90","","113.91","0.02","90","","1502","4","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C72 H60 B4 N8 O8 -","4","1","","Ma, Qiang; Miao, Zong-Cheng","Crystal structure of methyl 3-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","927","928","10.1515/ncrs-2021-0152","","","0.71073","MoKα","","0.0939","0.0544","","","0.1407","0.1651","","","","","","1.023","","","","has coordinates","273326","2022-03-04","09:34:16",""
"8104626","7.0242","0.0011","25.375","0.004","7.6789","0.0013","90","","111.275","0.002","90","","1275.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cl N2 O3 -","- C14 H11 Cl N2 O3 -","- C56 H44 Cl4 N8 O12 -","4","1","","Liu, Jianlian; Hao, Hong; Du, Chaojun","Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-2-hydroxybenzohydrazide, C14H11ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","929","930","10.1515/ncrs-2021-0154","","","0.71073","MoKα","","0.0433","0.0349","","","0.1072","0.1123","","","","","","1.01","","","","has coordinates","273327","2022-03-04","09:37:16",""
"8104627","5.304","0.0011","9.2288","0.0018","10.1286","0.002","90","","100.173","0.003","90","","488","0.17","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","fluorophlogopite","","- Al1.4 F2 K Mg2.8 O10 Si2.8 -","- Al1.398 F2 K Mg2.802 O10 Si2.8 -","- Al2.796 F4 K2 Mg5.604 O20 Si5.6 -","2","0.25","","Aiqing, Chen; Lixue, Zhang","Crystal structure of Al-rich fluorophlogopite, K1.0(Mg2.8Al0.2)(Si2.8Al1.2)O10F2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","931","933","10.1515/ncrs-2021-0157","","","0.71073","MoKα","","0.0423","0.0387","","","0.1067","0.1086","","","","","","1.186","","","","has coordinates,has disorder","273328","2022-03-04","09:56:04",""
"8104628","10.2268","0.001","10.885","0.0009","12.1413","0.001","101.81","0.002","90.465","0.003","103.194","0.003","1285.9","0.2","199.95","","199.95","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 F6 I2 N3 Sb -","- C20 H22 F6 I2 N3 Sb -","- C40 H44 F12 I4 N6 Sb2 -","2","1","","Xu, Xingyu; Qiu, Ping","The crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium hexafluoridoantimonate(V), C20H22F6I2N3Sb","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","935","936","10.1515/ncrs-2021-0158","","","0.71073","MoKα","","0.034","0.0291","","","0.0695","0.0717","","","","","","1.094","","","","has coordinates","273329","2022-03-04","09:59:09",""
"8104629","28.2633","0.0007","12.4964","0.0003","9.1542","0.0003","90","","99.584","0.001","90","","3188.04","0.15","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Cl9 I3 N3 Sb2 -","- C15 H15 Cl9 I3 N3 Sb2 -","- C60 H60 Cl36 I12 N12 Sb8 -","4","0.5","","Ma, Yuxin; Hao, Munan; Sun, Ruijin; Jin, Shifeng; Zhao, Changchun","Crystal structure of tris(3-iodopyridin-1-ium) catena-poly[(hexachlorido-κ1 Cl)-(μ2-trichlorido-κ2 Cl:Cl)diantimony(III)], C15H15Cl9I3N3Sb2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","937","939","10.1515/ncrs-2021-0156","","","0.71073","MoKα","","0.0313","0.0274","","","0.0665","0.0687","","","","","","1.055","","","","has coordinates,has disorder","273330","2022-03-04","10:02:09",""
"8104630","23.976","0.003","7.769","0.0009","32.94","0.004","90","","95.17","0.01","90","","6110.8","1.3","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C288 H240 B16 N32 O32 -","16","2","","Song, Wenqi; Miao, Zongcheng","Crystal structure of methyl 2-(1H-naphtho[1,8-de][1.3.2]diazaborinin-2(3H-yl)benzoate C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","941","943","10.1515/ncrs-2021-0159","","","1.34139","GaKα","","0.0769","0.0525","","","0.1285","0.1415","","","","","","1.07","","","","has coordinates","273331","2022-03-04","10:08:00",""
"8104631","27.0291","0.0004","14.5593","0.0002","7.95172","0.0001","90","","90","","90","","3129.2","0.07","193","2","193","2","","","","","","","","3","P n a 21","P 2c -2n","33","1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl","","","- C40 H28 O8 -","- C40 H28 O8 -","- C160 H112 O32 -","4","1","","Kobayashi, Miyuki; Iida, Kikuko; Iitsuka, Hiroaki; Li, Kun; Yonezawa, Noriyuki; Okamoto, Akiko","The crystal structure of 1,8-bis(4-methoxybenzoyl)naphthalene-2,7-diyl dibenzoate, C40H28O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","945","947","10.1515/ncrs-2021-0160","","","1.54187","CuKα","","0.0289","0.0276","","","0.068","0.069","","","","","","1.047","","","","has coordinates","273332","2022-03-04","10:10:34",""
"8104632","11.9697","0.0003","10.0493","0.0003","27.8468","0.0007","90","","90","","90","","3349.61","0.16","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 B2 Br F4 N4 -","- C14 H15 B2 Br F4 N4 -","- C112 H120 B16 Br8 F32 N32 -","8","1","","He, Weifeng; Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan","Crystal structure of 2-bromo-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C14H15B2BrF4N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","949","952","10.1515/ncrs-2021-0163","","","0.71073","MoKα","","0.1073","0.0697","","","0.1453","0.1585","","","","","","1.097","","","","has coordinates,has disorder","273333","2022-03-04","10:15:12",""
"8104633","17.515","0.011","17.515","0.011","15.459","0.013","90","","90","","90","","4742","6","113.15","","113.15","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H9 Cl F N3 -","- C12 H9 Cl F N3 -","- C192 H144 Cl16 F16 N48 -","16","1","","Wu, Hui-Zhen; Min, Li-Jing; Han, Liang; Liu, Xing-Hai; Sun, Na-Bo","The crystal structure of (E)-3-chloro-2-(2-(2-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","953","955","10.1515/ncrs-2021-0164","","","0.71073","MoKα","","0.0589","0.053","","","0.1126","0.1161","","","","","","1.177","","","","has coordinates","273334","2022-03-04","10:17:28",""
"8104634","10.6637","0.0002","18.8249","0.0006","14.8626","0.0005","90","","93.853","0.003","90","","2976.82","0.15","291","0.4","291","0.4","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 Cu4 I4 N10 O22 -","- C46 H46 Cu4 I4 N10 O22 -","- C92 H92 Cu8 I8 N20 O44 -","2","0.5","","Lv, Benlian","Crystal structure of bis(µ2- 4-iodopyridine-2,6-dicarboxylato-κ3 O:N:O′)-bis(4-iodopyridine-2,6-dicarboxylato-κ3 O:N:O′)-bis(µ2-1-(4-pyridyl)piperazine-κ2 N:N′)-hexa-aqua-tetra-copper(II), C46H46Cu4I4N10O22","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","957","959","10.1515/ncrs-2021-0166","","x-ray","0.71073","MoKα","","0.0469","0.0361","","","0.0686","0.0726","","","","","","1.055","","","","has coordinates","273335","2022-03-04","10:19:53",""
"8104635","11.8592","0.0004","8.3925","0.0003","13.9503","0.0005","90","","102.81","0.003","90","","1353.89","0.08","291.19","0.1","291.19","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cd N4 O12 -","- C24 H28 Cd N4 O12 -","- C48 H56 Cd2 N8 O24 -","2","0.5","","Lv, Benlian; Ren, Yunli","Crystal structure of poly[diaqua-(μ 2-2,5-dihydroxyterephthalato-κ2 O:O′)(μ 2-bis(4-pyridylformyl)piperazine-κ2 N:N′)cadmium(II)] dihydrate, C24H28CdN4O12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","961","963","10.1515/ncrs-2021-0167","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0613","0.0633","","","","","","1.046","","","","has coordinates","273336","2022-03-04","10:22:18",""
"8104636","9.6671","0.0007","20.0783","0.0013","10.4225","0.0007","90","","107.365","0.001","90","","1930.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cd F4 N4 O5 -","- C17 H14 Cd F4 N4 O5 -","- C68 H56 Cd4 F16 N16 O20 -","4","1","","Guo, Yu-Mei; Tang, Bo; Ge, Hong-Guang; Huang, Pei; Lu, Jiu-Fu","Crystal structure of poly[aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ3-2,3,5,6-tetrafluoroterephthalato-κ3 O:O′:O′′)cadmium(II)], C17H14N4O5F4Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","965","967","10.1515/ncrs-2021-0168","","","0.71073","MoKα","","0.0295","0.025","","","0.0852","0.088","","","","","","1.005","","","","has coordinates","273337","2022-03-04","10:24:46",""
"8104637","12.3329","0.0002","12.9276","0.0002","12.1125","0.0001","90","","114.047","0.002","90","","1763.55","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O -","- C26 H16 N2 O -","- C104 H64 N8 O4 -","4","1","","Li, Chuan-Jun","Crystal structure of 6-(quinolin-8-yl)benzo[a]phenanthridin-5(6H)-one, C26H16N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","969","970","10.1515/ncrs-2021-0170","","x-ray","1.54184","CuKα","","0.0462","0.0416","","","0.1095","0.1137","","","","","","1.037","","","","has coordinates","273338","2022-03-04","10:27:26",""
"8104638","6.8","0.002","9.086","0.003","11.363","0.004","86.701","0.006","84.83","0.005","77.353","0.005","681.7","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","6-chloropyridine-2-carboxylic acid Copper (II)","","- C12 H8 Cl2 Cu N2 O5 -","- C12 H8 Cl2 Cu N2 O5 -","- C24 H16 Cl4 Cu2 N4 O10 -","2","1","","Zhang, Zhongyu; Tong, Mingqiong; Liu, Yanling","The crystal structure of aqua-bis(6-chloropicolinato-κ2 N,O)copper(II), C12H8Cl2N2O5Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","971","972","10.1515/ncrs-2021-0171","","","0.71073","MoKα","","0.0292","0.025","","","0.0632","0.0655","","","","","","1.063","","","","has coordinates","273339","2022-03-04","10:29:24",""
"8104639","8.5437","0.0016","17.852","0.004","9.3335","0.0013","90","","101.38","0.016","90","","1395.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H29 Ag2 N5 O9 S -","- C25 H29 Ag2 N5 O9 S -","- C50 H58 Ag4 N10 O18 S2 -","2","0.5","","Zhao, Han-Lin; Jiang, Jin-Ke; Jiang, Hui; Dong, Xian-Wu; Li, Xue","Crystal structure of catena-poly[diaqua-bis(μ2-4,4′-bipyridyl-κ2 N:N′) disilver(I)] 4-oxidopyridine-3-sulfonate trihydrate, C25H29Ag2N5O9S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","973","974","10.1515/ncrs-2021-0175","","","0.71073","MoKα","","0.0318","0.0271","","","0.0631","0.0653","","","","","","1.127","","","","has coordinates","273340","2022-03-04","10:32:05",""
"8104640","7.214","0.003","12.735","0.006","21.305","0.009","90","","90","","90","","1957.3","1.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H8 Br N3 -","- C10 H8 Br N3 -","- C80 H64 Br8 N24 -","8","1","","Khan, Arshad; Usman, Rabia; Khan, Amjad; Refat, Moamen S.; Alosaimi, Abeer M.; Bakare, Safyah B.; Alghamdi, Mohammed T.","The crystal structure of 4-(3-bromophenyl)pyrimidin-2-amine, C10H8BrN3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","975","976","10.1515/ncrs-2021-0176","","","0.71073","MoKα","","0.0637","0.0353","","","0.0754","0.0808","","","","","","0.882","","","","has coordinates","273341","2022-03-04","10:34:35",""
"8104641","7.651","0.0015","11.465","0.002","14.526","0.003","90","","90","","90","","1274.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Shi, Bei-Chen; Chen, Hao-Dong; Zhu, Xian-Dui; Zhang, Meng-Meng; Zhang, Zhi-Fei","Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C15H14N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","977","978","10.1515/ncrs-2021-0178","","","0.71073","MoKα","","0.0589","0.0422","","","0.1078","0.1199","","","","","","1.006","","","","has coordinates","273342","2022-03-04","10:38:13",""
"8104642","11.8292","0.001","11.0987","0.0008","11.648","0.001","90","","115.282","0.011","90","","1382.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F5 N O2 -","- C14 H12 F5 N O2 -","- C56 H48 F20 N4 O8 -","4","1","","Liu, Jianlian; Du, Chaojun; Hao, Hong","Crystal structure of 4-(2,2-difluoroethyl)-2,4-dimethyl-6-(trifluoromethyl)isoquinoline-1,3(2H,4H)-dione, C14H12F5NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","979","980","10.1515/ncrs-2021-0179","","","0.71073","MoKα","","0.1104","0.0913","","","0.1541","0.1609","","","","","","1.027","","","","has coordinates","273470","2022-03-07","07:38:44",""
"8104643","15.534","0.007","7.956","0.004","14.589","0.007","90","","119.094","0.008","90","","1575.5","1.3","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Dibromo-(1-methylimidazole)-(2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)\\ propionato-O)-zinc(II), C~11~H~16~Br~2~N~4~O~2~Zn","","- C11 H16 Br2 N4 O2 Zn -","- C11 H16 Br2 N4 O2 Zn -","- C44 H64 Br8 N16 O8 Zn4 -","4","1","","Liu, Pengju; Wang, Zongwei; Guo, Libing; Tang, Junming","Crystal structure of dibromido-(1-methyl-1H-imidazole-κ1 N)-(3-(3-methyl-1H-imidazol-3-ium-1-yl)propanoato-κ1 O)zinc(II), C11H16Br2N4O2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","981","983","10.1515/ncrs-2021-0180","","","0.71073","MoKα","","0.0365","0.0296","","","0.0669","0.0703","","","","","","1.03","","","","has coordinates","273471","2022-03-07","07:41:30",""
"8104644","27.4022","0.0015","14.0345","0.0007","17.0047","0.001","90","","116.009","0.003","90","","5877.3","0.6","100","2","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H30 Cl N3 O6 Ti -","- C33.5 H30 Cl N3 O6 Ti -","- C268 H240 Cl8 N24 O48 Ti8 -","8","1","","Zhao, Tiankun; Wang, Peng; Ji, Mingyu; Li, Shanjia; Yang, Mingjun; Pu, Xiuying","The crystal structure of 1,1′-(((2 (dimethylamino)ethyl)azanediyl)bis(methylene)) bis(naphthalen-2-olato-κ4 N,N′,O,O′)-(pyridine-2,6-dicarboxylato-N,O,O′)- titanium(IV) ─ dichloromethane (2/1), C33H29N3O6Ti","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","985","987","10.1515/ncrs-2021-0182","","","1.34138","GaKα","","0.0457","0.0369","","","0.1041","0.1125","","","","","","1.083","","","","has coordinates,has disorder","273472","2022-03-07","07:44:18",""
"8104645","8.181","0.0002","12.6195","0.0003","11.3811","0.0002","90","","90.258","0.002","90","","1174.97","0.05","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(theophyllinium) hexachloridostannate(IV)","","","- C14 H18 Cl6 N8 O4 Sn -","- C14 H18 Cl6 N8 O4 Sn -","- C28 H36 Cl12 N16 O8 Sn2 -","2","0.5","","Reiss, Guido J.; Wyshusek, Maik","The layered crystal structure of bis(theophyllinium) hexachloridostannate (IV), C14H18N8O8SnCl6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","989","992","10.1515/ncrs-2021-0185","","","0.71073","MoKα","","0.0451","0.0266","","","0.0507","0.062","","","","","","1.002","","","","has coordinates","273473","2022-03-07","07:47:06",""
"8104646","6.0324","0.0005","7.1692","0.0006","21.6655","0.0017","90","","97.022","0.003","90","","929.95","0.13","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 N2 O3 S -","- C8 H12 N2 O3 S -","- C32 H48 N8 O12 S4 -","4","1","","Zhu, Yanfang; Xu, Guiyang; Song, Wenqi; Miao, Zongcheng","The crystal structre of 3-(1-ethenyl-1H-imidazol-3-ium-3-yl)propane-1-sulfonate, C8H12N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","993","994","10.1515/ncrs-2021-0186","","","1.34139","GaKα","","0.0437","0.0409","","","0.1171","0.1201","","","","","","1.06","","","","has coordinates","273474","2022-03-07","07:51:04",""
"8104647","9.9846","0.0006","31.4308","0.0013","11.5739","0.0006","90","","110.712","0.007","90","","3397.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 N2 O9 -","- C39 H38 N2 O9 -","- C156 H152 N8 O36 -","4","1","","Li, Wu-Wu; Liu, Xiong-Li; Li, Xiao-Peng; Zheng, Hao-Nan; Weng, A-Tong; Feng, Ling-Ying; Liu, Lu","Synthesis and crystal structure of di-tert-butyl 1″-acetyl-2,2″,9′-trioxo-4a′,9a′-dihydro-1′H,3′H,9′H-dispiro[indoline-3,2′-xanthene-4′,3″-indoline]-1,3′-dicarboxylate, C39H38N2O9","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","995","997","10.1515/ncrs-2021-0187","","","0.71073","MoKα","","0.0911","0.0596","","","0.107","0.1221","","","","","","1.046","","","","has coordinates","273475","2022-03-07","07:54:32",""
"8104648","13.6888","0.0004","8.3775","0.0002","12.918","0.0003","90","","110.515","0.003","90","","1387.46","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H9 Cl N2 O2 -","- C17 H9 Cl N2 O2 -","- C68 H36 Cl4 N8 O8 -","4","1","","Yang, Fan; Yao, Lin; Zeng, Xu-Li","The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","999","1000","10.1515/ncrs-2021-0188","","x-ray","1.54184","CuKα","","0.0458","0.042","","","0.1168","0.1224","","","","","","1.049","","","","has coordinates","273476","2022-03-07","08:08:21",""
"8104649","6.249","0.0003","7.6343","0.0004","24.2376","0.0009","90","","90.914","0.004","90","","1156.15","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F -","- C15 H11 F -","- C60 H44 F4 -","4","1","","Liu, Jin-Bao","The crystal structure of 1-fluoro-4-(p-tolylethynyl)benzene, C15H11F","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1001","1002","10.1515/ncrs-2021-0190","","x-ray","1.54184","CuKα","","0.0749","0.0619","","","0.1654","0.1829","","","","","","1.063","","","","has coordinates","273477","2022-03-07","08:11:34",""
"8104650","11.5165","0.0011","5.4369","0.0005","14.4872","0.0014","90","","105.639","0.002","90","","873.52","0.14","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Br2 Cu N4 O2 -","- C18 H12 Br2 Cu N4 O2 -","- C36 H24 Br4 Cu2 N8 O4 -","2","0.5","","Jaćimović, Željko K.; Tomić, Zoran D.; Giester, Gerald; Libowitzky, Eugen; Ajanović, Atifa; Kosović, Milica","The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2 N,O] copper(II), C18H12Br2CuN4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1003","1005","10.1515/ncrs-2021-0191","","","0.71073","MoKα","","0.033","0.0232","","","0.0528","0.0559","","","","","","1.053","","","","has coordinates","273478","2022-03-07","08:14:34",""
"8104651","8.9067","0.0001","8.6975","0.0001","10.2398","0.0001","90","","103.754","0.001","90","","770.491","0.015","100","2","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~3~imidazolato-κ^3^N:N:N')(tetrahydrofuran-κ^1^O)lithium(Ι)]","","- C7 H11 Li N2 O -","- C7 H11 Li N2 O -","- C28 H44 Li4 N8 O4 -","4","1","","Zapf, Ludwig; Finze, Maik","The crystal structure of poly[(μ 3-imidazolato-κ 3 N:N:N′)(tetrahydrofuran- κ 1 O)lithium(I)], C7H11LiN2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1007","1009","10.1515/ncrs-2021-0192","","x-ray","1.54184","CuKα","","0.0357","0.0338","","","0.0908","0.0925","","","","","","1.071","","","","has coordinates","273479","2022-03-07","08:17:42",""
"8104652","7.507","0.002","8.0276","0.0018","23.653","0.006","93.062","0.008","97.015","0.009","99.478","0.008","1391.5","0.6","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N8 O7 -","- C25 H34 N8 O7 -","- C50 H68 N16 O14 -","2","1","","Zhou, Yi; Zhang, Min; Xiong, Ying","Crystal structure of N′,N′′′-((1E,1′E)-(propane-2,2-diylbis(1H-pyrrole-5,2diyl))bis(methaneylylidene))di(nicotinohydrazide) pentahydrate, C25H24N8O2·5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1011","1013","10.1515/ncrs-2021-0193","","","0.71073","MoKα","","0.0587","0.0473","","","0.1366","0.1477","","","","","","1.028","","","","has coordinates,has disorder","273480","2022-03-07","08:22:08",""
"8104653","8.3781","0.0015","13.97","0.003","12.904","0.002","90","","104.5","0.002","90","","1462.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V)","","- C9 H15 F6 N2 O2 P -","- C9 H15 F6 N2 O2 P -","- C36 H60 F24 N8 O8 P4 -","4","1","","Yuan, Kun; Xiong, Wan-Ming; Nie, Xu-Liang; Peng, Da-Yong; Chen, Jing","Crystal structure of 3-(2-ethoxy-2-oxoethyl)-1-ethyl-1H-imidazol-3-ium hexafluoridophos-phate(V), C9H15F6N2O2P","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1015","1017","10.1515/ncrs-2021-0194","","","0.71073","MoKα","","0.0863","0.0677","","","0.1713","0.1977","","","","","","0.988","","","","has coordinates,has disorder","273481","2022-03-07","08:25:15",""
"8104654","20.171","0.007","9.684","0.003","10.372","0.004","90","","90","","90","","2026","1.2","273","2","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H14 Cu N2 O4 S2 -","- C22 H14 Cu N2 O4 S2 -","- C88 H56 Cu4 N8 O16 S8 -","4","0.5","","Zhang, Zhongyu; Men, Xiaoxia; Han, Bing; Sun, Chunyan","Crystal structure of (1,10-phenanthroline-κ2 N,N′)-bis(3-thiophenecarboxylato-κ2 O,O′)copper(II), C22H14N2O4S2Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1019","1020","10.1515/ncrs-2021-0199","","","0.71073","MoKα","","0.0388","0.0334","","","0.0875","0.0908","","","","","","1.072","","","","has coordinates,has disorder","273482","2022-03-07","08:37:06",""
"8104655","9.83","0.0004","5.3338","0.0002","17.404","0.0008","90","","105.493","0.002","90","","879.36","0.06","150","2","150","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H16 I2 N4 O5 -","- C12 H16 I2 N4 O5 -","- C24 H32 I4 N8 O10 -","2","0.5","","Huang, Guang","The crystal structure of 2-amino-3-carboxypyridin-1-ium iodide hemihydrate, C6H8IN2O2.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1021","1022","10.1515/ncrs-2021-0204","","","0.71073","MoKα","","0.0168","0.0139","","","0.0298","0.0306","","","","","","1.103","","","","has coordinates","273483","2022-03-07","08:40:42",""
"8104656","4.0929","0.0004","12.9527","0.0011","14.4228","0.0012","70.171","0.008","87.229","0.008","87.567","0.008","718.16","0.12","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Wang, Lei; Meng, Qing-Guo; Hou, Gui-Ge","Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-2-yl)methylene)-tetralone, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1023","1025","10.1515/ncrs-2021-0207","","","0.71073","MoKα","","0.0673","0.0549","","","0.1381","0.1526","","","","","","1.041","","","","has coordinates","273484","2022-03-07","08:44:38",""
"8104657","9.4069","0.0006","11.7695","0.0008","15.0549","0.0011","82.7","0.002","76.682","0.002","77.364","0.002","1577.52","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Br0.5 N2 O3.75 Re -","- C15 H13 Br0.5 N2 O3.75 Re -","- C60 H52 Br2 N8 O15 Re4 -","4","2","","Moherane, Lehlohonolo; Alexander, Orbett T.; Visser, Hendrik G.; Manicum, Amanda-Lee E.","The crystal structure of [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ2 N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C30H26N4O9Re2Br","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1027","1029","10.1515/ncrs-2021-0210","","","0.71073","MoKα","","0.0329","0.0291","","","0.083","0.0868","","","","","","1.039","","","","has coordinates","273485","2022-03-07","08:47:54",""
"8104658","7.9214","0.0001","6.0808","0.0001","17.8091","0.0003","90","","90.592","0.002","90","","857.79","0.02","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N S -","- C10 H9 N S -","- C40 H36 N4 S4 -","4","1","","Zhai, Zhi-Wei; Yang, Shuang-Hua","The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1031","1033","10.1515/ncrs-2021-0213","","x-ray","1.54184","CuKα","","0.0392","0.0382","","","0.1044","0.1051","","","","","","1.06","","","","has coordinates","273486","2022-03-07","08:50:51",""
"8104659","6.0024","0.0005","19.474","0.002","8.3531","0.0008","90","","91.75","0.009","90","","975.94","0.16","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H16 F N3 O2 -","- C24 H16 F N3 O2 -","- C48 H32 F2 N6 O4 -","2","1","","Atioğlu, Zeliha; Karataş, Halis; Kökbudak, Zülbiye","The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1035","1037","10.1515/ncrs-2021-0216","","x-ray","0.71073","MoKα","","0.0631","0.0409","","","0.0733","0.0832","","","","","","1.01","","","","has coordinates","273487","2022-03-07","08:53:18",""
"8104660","13.505","0.005","14.226","0.005","13.405","0.005","90","","91.28","","90","","2574.8","1.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 N2 O3 P Rh -","- C25 H38 N2 O3 P Rh -","- C100 H152 N8 O12 P4 Rh4 -","4","1","","Alexander, Orbett T.; Venter, Johan","Crystal structure of monocarbonyl(N-nitroso-N-oxido-phenylamine-κ 2 O,O′)(tricyclohexylphosphine-κP)rhodium(I), C25H39N2O3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1039","1041","10.1515/ncrs-2021-0218","","","0.71073","MoKα","","0.0494","0.0399","","","0.0922","0.1026","","","","","","1.032","","","","has coordinates","273488","2022-03-07","09:11:22",""
"8104661","9.5965","0.0003","9.5965","0.0003","11.8821","0.0008","90","","90","","120","","947.65","0.08","223.15","","223.15","","","","","","","","","6","P -3","-P 3","147","","","","- C36 H36 F6 N12 Ni Si -","- C36 H36 F6 N12 Ni Si -","- C36 H36 F6 N12 Ni Si -","1","0.166667","","Xu, Xi-Ting; Dong, Tong-Min; Song, Wei; Zhong, Kai-Long","Crystal structure of poly[bis[μ 3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ 3 N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1043","1045","10.1515/ncrs-2021-0195","","","0.71073","MoKα","","0.0454","0.0437","","","0.1068","0.1076","","","","","","1.259","","","","has coordinates","273489","2022-03-07","09:17:50",""
"8104662","16.06","0.0002","5.3992","0.0001","19.8514","0.0002","90","","94.26","0.001","90","","1716.58","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N5 O -","- C19 H25 N5 O -","- C76 H100 N20 O4 -","4","2","","Li, Jun-Jie; Dong, Fang-Yun; Zou, Qi-Wen; Feng, Yin; Yang, Yu-Tao; Su, Kai-Xuan; Huang, Yong-Fu; Jiang, Xu-Hong; Cheng, Xing-An","The crystal structure of 13-(pyrazole-1-yl-4-carbonitrile)-matrine, C19H25N5O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1047","1049","10.1515/ncrs-2021-0197","","x-ray","1.54184","CuKα","","0.0393","0.035","","","0.0888","0.0908","","","","","","1.078","","","","has coordinates","273490","2022-03-07","09:22:04",""
"8104663","16.0076","0.001","7.7424","0.0004","17.3259","0.0011","90","","96.161","0.005","90","","2134.9","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F6 N O3 -","- C24 H21 F6 N O3 -","- C96 H84 F24 N4 O12 -","4","1","","Zhou, Xia; Sun, Zhong-Hao; Shan, Guang-Zhi; Meng, Qing-Guo","Crystal structure of 3,5-bis((E)-4-methoxy-2-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1051","1053","10.1515/ncrs-2021-0200","","","0.71073","MoKα","","0.0686","0.0563","","","0.1407","0.1517","","","","","","1.055","","","","has coordinates","273491","2022-03-07","09:26:31",""
"8104664","7.9495","0.0007","11.2494","0.0012","13.7829","0.0013","81.433","0.002","76.536","0.001","82.641","0.002","1179.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N4 O2 S2 -","- C26 H22 N4 O2 S2 -","- C52 H44 N8 O4 S4 -","2","1","","Xin, Nana; Zheng, Jun; He, Qingpeng","The crystal structure of N,N′-(Disulfanediyldi-2,1-phenylene)di(6′-methylpyridine)-2-carboxamide, C26H22N4O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1055","1057","10.1515/ncrs-2021-0206","","","0.71073","MoKα","","0.1145","0.0727","","","0.196","0.2189","","","","","","0.983","","","","has coordinates","273492","2022-03-07","09:32:02",""
"8104665","11.8614","0.001","7.9148","0.0006","16.7999","0.0016","90","","99.15","0.009","90","","1557.1","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C76 H56 F16 O8 -","4","1","","Meng, Qing-Guo; Zhao, Sheng-Nan; Sun, Zhong-Hao; Shan, Guang-Zhi; Meng, Qing-Guo","Crystal structure of (E)-7-fluoro-2-(4-methoxy-2-(trifluoromethyl)benzylidene)-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1059","1061","10.1515/ncrs-2021-0209","","","0.71073","MoKα","","0.0549","0.0446","","","0.1056","0.115","","","","","","1.032","","","","has coordinates","273493","2022-03-07","09:35:18",""
"8104666","10.805","0.007","20.984","0.013","7.034","0.004","90","","93.386","0.013","90","","1592","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F N O2 -","- C19 H16 F N O2 -","- C76 H64 F4 N4 O8 -","4","1","","Song, Hong-Yu; Liu, Shan; Zhang, Bo-Nan; Zhong, Qi-Di; Qi, Ya-Juan","Crystal structure of ethyl 1-(4-fluorophenyl)-4-phenyl-1H-pyrrole-3-carboxylate, C19H16FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1063","1064","10.1515/ncrs-2021-0219","","","0.71073","MoKα","","0.1612","0.0561","","","0.1001","0.1336","","","","","","0.956","","","","has coordinates","273494","2022-03-07","09:39:03",""
"8104667","11.201","0.002","12.699","0.003","12.8","0.004","100.3","0.09","103.18","0.09","106.77","0.06","1637.9","1.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl2 Co N6 O5 -","- C28 H44 Cl2 Co N6 O5 -","- C56 H88 Cl4 Co2 N12 O10 -","2","1","","Alexander, Orbett T.; Alberto, Roger; Roodt, Andreas","The crystal structure of cis-diaqua-bis (N-butyl-N-(pyridin-2-yl)pyridin-2-amine-κ 2 N,N′)cobalt(II)] dichloride trihydrate, C28H44Cl2N6O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1065","1068","10.1515/ncrs-2021-0221","","","0.71076","MoKα","","0.0479","0.0372","","","0.0846","0.089","","","","","","1.038","","","","has coordinates","273495","2022-03-07","09:42:29",""
"8104668","14.702","0.003","7.0421","0.0011","15.303","0.003","90","","113.32","0.02","90","","1454.9","0.5","100.03","0.18","100.03","0.18","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Wang, Lei; Meng, Qing-Guo; Jiang, Nan; Wei, Lin; Wang, Chun-Hua","Crystal structure of (E)-7-methoxy-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1069","1071","10.1515/ncrs-2021-0222","","","0.71073","MoKα","","0.0651","0.0522","","","0.1183","0.1274","","","","","","1.08","","","","has coordinates","273496","2022-03-07","09:46:45",""
"8104669","8.0937","0.0008","7.1326","0.0006","22.367","0.002","90","","90.863","0.009","90","","1291.1","0.2","99.97","0.16","99.97","0.16","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C68 H56 F4 N4 O8 -","4","1","","Wang, Chen; Wang, Lei; Meng, Qing-Guo; Huang, Zhi-Xin; Ma, Nuan-Nuan; Wang, Chun-Hua","Crystal structure of (E)-2-((3-fluoropyridin-4-yl)methylene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1073","1075","10.1515/ncrs-2021-0223","","","0.71073","MoKα","","0.049","0.0404","","","0.0904","0.0974","","","","","","1.055","","","","has coordinates","273497","2022-03-07","10:01:04",""
"8104670","10.673","0.0014","5.2781","0.0006","14.7781","0.0018","90","","109.61","0.004","90","","784.21","0.17","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ω-bromohexdanoic acid","6-bromohexanoic acid","","- C6 H11 Br O2 -","- C6 H11 Br O2 -","- C24 H44 Br4 O8 -","4","1","","Ndima, Lubabalo; Hosten, Eric C.; Betz, Richard","The crystal structure of 6-bromohexanoic acid, C6H11BrO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1077","1078","10.1515/ncrs-2021-0224","","","0.71073","MoKα","","0.0318","0.0225","","","0.0535","0.0564","","","","","","1.052","","","","has coordinates","273498","2022-03-07","10:05:53",""
"8104671","5.7461","0.0002","9.7601","0.0004","5.7466","0.0003","90","","95.869","0.002","90","","320.59","0.02","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-chloro-thiophenol","4-chloro-thiophenol","","- C6 H5 Cl S -","- C6 H5 Cl S -","- C12 H10 Cl2 S2 -","2","0.5","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-thiophenol, C6H5ClS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1079","1081","10.1515/ncrs-2021-0225","","","0.71073","MoKα","","0.0231","0.0216","","","0.0529","0.0545","","","","","","1.218","","","","has coordinates,has disorder","273499","2022-03-07","10:08:28",""
"8104672","9.4506","0.0007","18.1015","0.001","4.4418","0.0003","90","","90","","90","","759.86","0.09","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-bromobenzyl chloride","4-bromobenzyl chloride","","- C7 H6 Br Cl -","- C7 H6 Br Cl -","- C28 H24 Br4 Cl4 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-bromobenzyl chloride, C7H6BrCl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1083","1085","10.1515/ncrs-2021-0227","","","0.71073","MoKα","","0.0356","0.0271","","","0.0537","0.0558","","","","","","1.063","","","","has coordinates","273500","2022-03-07","10:11:30",""
"8104673","11.3561","0.0007","11.4569","0.0007","10.9762","0.0006","90","","116.087","0.002","90","","1282.59","0.13","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","di-<i>tert</i>-butyl dicarbonate","di-<i>tert</i>-butyl dicarbonate","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","The crystal structure of di-tert-butyl dicarbonate, C10H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1087","1089","10.1515/ncrs-2021-0228","","","0.71073","MoKα","","0.0714","0.0547","","","0.1507","0.1677","","","","","","1.053","","","","has coordinates,has disorder","273501","2022-03-07","10:14:07",""
"8104674","5.788","0.002","11.079","0.004","18.916","0.007","90","","90","","90","","1213","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C48 H60 Cl4 O12 -","4","1","","Zou, Long-Sheng; Li, Zhong-Yan; Yuan, Lin","The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1091","1092","10.1515/ncrs-2021-0230","","","0.71073","MoKα","","0.0693","0.0559","","","0.172","0.1898","","","","","","1.075","","","","has coordinates","273502","2022-03-07","10:16:28",""
"8104675","7.4038","0.0009","30.448","0.003","7.6744","0.0008","90","","112.013","0.003","90","","1603.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-hydroxybenzoic acid <i>N</i>'-(butan-2-ylidene)pyridine-4-carbohydrazide","","- C17 H19 N3 O4 -","- C17 H19 N3 O4 -","- C68 H76 N12 O16 -","4","1","","Setshedi, Itumeleng B.; Smith, Mark G.","The crystal structure of the co-crystal: 2-hydroxybenzoic acid – N′-(butan-2-ylidene)pyridine-4-carbohydrazide, C10H13N3O·C7H6O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1093","1095","10.1515/ncrs-2021-0232","","x-ray","0.71073","MoKα","","0.0549","0.0492","","","0.1344","0.1384","","","","","","1.098","","","","has coordinates","273503","2022-03-07","10:19:30",""
"8104676","15.5754","0.0012","7.4828","0.0006","23.0981","0.0018","90","","90.797","0.007","90","","2691.8","0.4","100","0.18","100","0.18","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C136 H112 F8 N8 O16 -","8","1","","Sun, Jia-Jia; Zhang, Xiao-Fan; Meng, Qing-Guo; Li, Hong-Juan; Wang, Chun-Hua","Crystal structure and anti-inflammatory activity of (E)-7-fluoro-2-((5-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1097","1099","10.1515/ncrs-2021-0234","","","0.71073","MoKα","","0.0536","0.0442","","","0.103","0.1096","","","","","","1.045","","","","has coordinates","273504","2022-03-07","10:22:37",""
"8104677","7.384","0.0006","10.9208","0.0008","16.7006","0.0015","90","","101.032","0.009","90","","1321.84","0.19","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C68 H56 F4 N4 O8 -","4","1","","Su, Xiang-Yi; Zhang, Xiao-Fan; Meng, Qing-Guo; Li, Hong-Juan","Crystal structure of (E)-7-fluoro-2-((6-methoxypyridin-3-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1101","1103","10.1515/ncrs-2021-0236","","","0.71073","MoKα","","0.0758","0.0589","","","0.1382","0.1561","","","","","","1.062","","","","has coordinates","273505","2022-03-07","10:25:22",""
"8104678","8.6769","0.0013","9.8858","0.0014","14.51","0.002","81.71","0.002","89.406","0.002","89.446","0.002","1231.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,1'-(butane-1,4-diyl)bis(3-propyl-1H- imidazol-3-ium) bis(hexafluoridophosphate)","","- C32 H56 F24 N8 P4 -","- C32 H56 F24 N8 P4 -","- C32 H56 F24 N8 P4 -","1","0.5","","Zhou, Yao-Hong; Nie, Xu-Liang; Xiong, Wan-Ming; Peng, Da-Yong; Zhang, Xiao-Hua","Crystal structure of 1,1′-(butane-1,4-diyl)bis(3-propyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C32H56F24N8P4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1105","1107","10.1515/ncrs-2021-0237","","","0.71073","MoKα","","0.1696","0.0692","","","0.1713","0.2245","","","","","","0.95","","","","has coordinates,has disorder","273521","2022-03-08","08:57:40",""
"8104679","8.261","0.003","16.39","0.005","13.967","0.004","90","","95.85","0.004","90","","1881.3","1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd Cl2 N4 O4 -","- C14 H20 Cd Cl2 N4 O4 -","- C56 H80 Cd4 Cl8 N16 O16 -","4","1","","Yang, Fei; Wang, Zongwei; Liu, Pengju; Guo, Libing; Xian, Dong","The crystal structure of dichlorido-bis(3-methyl-3-imidazolium-1-ylpropionato-κ2)-cadmium(II), C14H20CdCl2N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1109","1111","10.1515/ncrs-2021-0238","","","0.71073","MoKα","","0.0396","0.0342","","","0.0844","0.0873","","","","","","1.062","","","","has coordinates","273522","2022-03-08","09:00:53",""
"8104680","17.885","0.003","15.647","0.002","16.189","0.002","90","","90","","90","","4530.4","1.1","296","2","296.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C56 H42 N8 O -","- C56 H42 N8 O -","- C224 H168 N32 O4 -","4","0.5","","Li, Yi-Da; Song, Zhi-Qiang; Yue, Zhi-Wei; Zhong, Qi-Di; Qi, Ya-Juan","Crystal structure of 1-(2-cyanobenzyl)-3-cyano-4-phenyl-4-(2-cyanobenzyl)-1,4-dihydropyridine monohydrate, C56H42N8O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1113","1114","10.1515/ncrs-2021-0241","","","0.71073","MoKα","","0.0925","0.0464","","","0.0999","0.1219","","","","","","0.999","","","","has coordinates","273523","2022-03-08","09:12:41",""
"8104681","4.6321","0.0003","7.5132","0.0004","24.7605","0.0014","90","","90","","90","","861.71","0.09","193","2","193.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng","The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1115","1116","10.1515/ncrs-2021-0242","","","1.34139","GaKα","","0.0268","0.0257","","","0.0648","0.0653","","","","","","1.048","","","","has coordinates","273524","2022-03-08","09:17:15",""
"8104682","14.2882","0.0011","17.8169","0.001","7.6201","0.0006","90","","103.78","0.008","90","","1884","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adamantylmethoxydiphenylsilane","","- C23 H28 O Si -","- C23 H28 O Si -","- C92 H112 O4 Si4 -","4","1","","Bauer, Jonathan O.","The crystal structure of adamantylmethoxydiphenylsilane, C23H28OSi","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1117","1120","10.1515/ncrs-2021-0243","","","0.71073","MoKα","","0.0947","0.0538","","","0.1088","0.1241","","","","","","1.02","","","","has coordinates","273525","2022-03-08","09:21:09",""
"8104683","9.217","0.004","9.774","0.004","10.843","0.004","96.77","0.002","101.791","0.005","105.873","0.003","903.9","0.6","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C44 H48 N8 -","2","1","","Dey, Lucky; Rabi, Saswata; Begum, Zinnat A.; Takase, Tsugiko; Rahman, Ismail M. M.; Tiekink, Edward R. T.; Roy, Tapashi Ghosh","Redetermination of the crystal structure of (2E,4Z,13E,15Z)-3,5,14,16-tetramethyl-2,6,13,17-tetraazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,9,11,13,15,18,20-decaene, C22H24N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1121","1124","10.1515/ncrs-2021-0244","","","0.71075","MoKα","","0.0476","0.0391","","","0.1031","0.1069","","","","","","1.069","","","","has coordinates","273526","2022-03-08","09:24:35",""
"8104684","7.5016","0.0004","13.675","0.0008","14.8557","0.0009","115.469","0.006","91.726","0.005","97.325","0.005","1358.48","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","2","","Liang, Lun-Hai; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-7-hydroxy-2-((6-methoxypyridin-2-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one, C17H15NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1125","1127","10.1515/ncrs-2021-0245","","","0.71073","MoKα","","0.0571","0.0442","","","0.1003","0.1095","","","","","","1.036","","","","has coordinates","273527","2022-03-08","09:28:11",""
"8104685","9.2248","0.0005","13.314","0.0008","10.6132","0.0006","90","","109.348","0.007","90","","1229.89","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Co N10 O8 -","- C18 H28 Co N10 O8 -","- C36 H56 Co2 N20 O16 -","2","0.5","","Liu, Jie; Jiang, Peng; Yang, Xiao-Ming; Lu, Jiu-Fu","Crystal structure of catena-poly[diaqua-bis(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)cobalt(II)] dinitrate, C18H28N10O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1129","1130","10.1515/ncrs-2021-0246","","","0.71073","MoKα","","0.0424","0.0336","","","0.1009","0.1078","","","","","","1.049","","","","has coordinates","273528","2022-03-08","09:31:00",""
"8104686","13.9371","0.0013","14.3873","0.0014","9.1536","0.0008","90","","104.958","0.004","90","","1773.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 O13 Sr2 -","- C10 H22 O13 Sr2 -","- C40 H88 O52 Sr8 -","4","1","","Bouhali, Amira; Dridi, Rawiya; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Crystal structure of poly[(μ2-aqua-tetraaqua-(μ3-glutarato-κ4 O,O′:O′:O′′)-(μ5-glutarato-κ6 O:O,O′:O′:O′′:O′′′)distrontium(II)], C10H22O13Sr2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","705","707","10.1515/ncrs-2021-0050","","x-ray","0.71073","MoKα","","0.0322","0.0294","","","0.0768","0.0785","","","","","","1.024","","","","has coordinates","273529","2022-03-08","09:35:06",""
"8104687","8.809","0.0005","11.4984","0.0006","12.3941","0.0007","90.111","0.002","106.017","0.002","100.18","0.002","1185.95","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cu N2 O5 -","- C26 H26 Cu N2 O5 -","- C52 H52 Cu2 N4 O10 -","2","1","","Yang, Yuanyuan; Jin, Li; Zuo, Zhenyu; Yanhui, Chen; Fang, Chen","The crystal structure of acetato-κ1 O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ2 N,N′,O}copper(II), C26H26CuN2O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","709","711","10.1515/ncrs-2021-0048","","","0.71073","MoKα","","0.036","0.0315","","","0.0842","0.0869","","","","","","1.053","","","","has coordinates","273530","2022-03-08","10:21:46",""
"8104688","7.797","0.0007","9.611","0.0009","12.7629","0.0012","71.544","0.008","79.322","0.008","83.734","0.008","890.2","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H32 Cu2 N12 O2 S2 -","- C34 H32 Cu2 N12 O2 S2 -","- C34 H32 Cu2 N12 O2 S2 -","1","0.5","","Fang, Xiang; Yang, Jing; Zhang, Ya-Wen; Lv, Xin-Ya; Wang, Xia; Song, Ning","Crystal structure of dimethanolato-k2 O:O-bis(1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κN)-bis(thiocyanato-κN)dicopper(II), C34H32Cu2N12O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","713","715","10.1515/ncrs-2021-0045","","","1.54184","CuKα","","0.0743","0.0634","","","0.173","0.1827","","","","","","1.027","","","","has coordinates","273531","2022-03-08","10:27:55",""
"8104689","8.7117","0.0005","8.7935","0.0005","15.0791","0.0009","90","","103.557","0.001","90","","1122.97","0.11","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Co N4 O8 -","- C22 H22 Co N4 O8 -","- C44 H44 Co2 N8 O16 -","2","0.5","","Wang, Jing; Luo, Jiahuan; Zhai, Shengxian; Yongsheng, Niu; Tian, Dayong; Zhang, Chuanxiang","Crystal structure of poly[diaqua-bis(μ2-3-(pyrimidin-5-yl)benzoato-κ2 N:O)cobalt(II)] dihydrate, [Co(C11H11O2N2)2(H2O)2]","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","717","718","10.1515/ncrs-2021-0044","","","0.71073","MoKα","","0.0329","0.0271","","","0.0689","0.0725","","","","","","1.035","","","","has coordinates","273532","2022-03-08","10:32:16",""
"8104690","8.828","0.003","9.458","0.003","10.786","0.003","74.609","0.004","73.915","0.004","64.888","0.004","772.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-<i>tert</i>-butyl-3-phenyl-1-trimethylsilyl-1-azaallyl-κ^2^<i>N</i>,\\ N')Zinc(II)","","- C30 H48 N2 Si2 Zn -","- C30 H48 N2 Si2 Zn -","- C30 H48 N2 Si2 Zn -","1","0.5","","Wang, Jun-Hong; Tong, Hong-Bo; Wang, Meng-Liang; Yuan, Hai-Yan","Crystal structure of bis(3,3-dimethyl-1-phenylbut-1-en-2-yl)(trimethylsilyl)amido-k1 N)zinc(II), Zn(C15H24NSi)2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","719","720","10.1515/ncrs-2021-0057","","","0.71073","MoKα","","0.0588","0.0476","","","0.1166","0.1225","","","","","","1.023","","","","has coordinates","273533","2022-03-08","10:37:49",""
"8104691","10.3523","0.0004","18.2609","0.0009","9.9688","0.0004","90","","103.918","0.004","90","","1829.2","0.14","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H66 Cu4 N24 O5 S4 -","- C68 H66 Cu4 N24 O5 S4 -","- C68 H66 Cu4 N24 O5 S4 -","1","0.25","","Zhang, Ya-Wen; Wang, Xin-Ling; Yang, Jing; Wang, Xia; Yuan, Xian-Xian; Lv, Xin-Ya","Crystal structure of catena-poly[(μ2-methanolato-κ2 O:O)-(μ2-1-((2-methyl-1H-benzo[d]imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)-(thiocyanato-κ1 N)copper(II)] 0.25 hydrate, C17H16CuN6OS ⋅ 0.5H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","721","723","10.1515/ncrs-2021-0051","","","1.54184","CuKα","","0.0549","0.0409","","","0.102","0.1099","","","","","","1.054","","","","has coordinates,has disorder","273534","2022-03-08","10:44:42",""
"8104692","7.0704","0.0003","15.7781","0.0006","9.1495","0.0004","90","","112.114","0.001","90","","945.61","0.07","150","2","150.01","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 I N3 O3 -","- C6 H10 I N3 O3 -","- C24 H40 I4 N12 O12 -","4","1","","Du, Chao-Jun; Niu, De-Long; Zheng, Shi-Li; Zeng, Yan","The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","725","726","10.1515/ncrs-2021-0058","","","0.71073","MoKα","","0.0211","0.0187","","","0.0509","0.0522","","","","","","1.182","","","","has coordinates","273553","2022-03-09","08:58:54",""
"8104693","6.8667","0.0004","7.5196","0.0004","10.0908","0.0005","74.237","0.002","81.603","0.003","88.888","0.003","495.95","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cl N2 O7 -","- C6 H9 Cl N2 O7 -","- C12 H18 Cl2 N4 O14 -","2","1","","Hou, Siyu; Ren, Penggang; Zeng, Yan","The crystal structure of 3-amino-5-carboxypyridin-1-ium perchlorate monohydrate, C6H9ClN2O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","727","728","10.1515/ncrs-2021-0062","","","0.71073","MoKα","","0.0564","0.0377","","","0.0823","0.0902","","","","","","1.07","","","","has coordinates","273554","2022-03-09","09:07:27",""
"8104694","8.548","0.003","13.426","0.004","11.369","0.003","90","","103.093","0.004","90","","1270.8","0.7","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Zhang, Xing-Yu; Chen, Wei-chi; Liu, Mei-Feng","Crystal structure of 7-hydroxy-2,4-dimethoxy-9,10-dihydrophenanthrene from Arundina graminifolia, C16H16O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","729","730","10.1515/ncrs-2021-0053","","","0.71073","MoKα","","0.0513","0.0421","","","0.1171","0.1243","","","","","","1.053","","","","has coordinates","273555","2022-03-09","09:11:14",""
"8104695","9.7892","0.00012","12.71913","0.00014","20.9423","0.0003","90","","90","","90","","2607.53","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Xu, Zeng-Bing; He, Jing-Yuan; Shi, Da-Bin","Crystal structure of 6,6′-((1E, 1′E)-(((1R, 2R)-1,2-diphenylethane-1,2-diyl) bis(azanylylidene))bis(methanylylidene))bis(2-ethylphenol), C32H32N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","731","733","10.1515/ncrs-2021-0060","","x-ray","1.54184","CuKα","","0.0542","0.0535","","","0.1357","0.1365","","","","","","1.075","","","","has coordinates","273556","2022-03-09","09:14:29",""
"8104696","9.3654","0.0002","8.0312","0.0002","12.7668","0.0003","90","","107.825","0.001","90","","914.16","0.04","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 I N2 O3 -","- C6 H9 I N2 O3 -","- C24 H36 I4 N8 O12 -","4","1","","Zeng, Yan; Du, Chao-Jun","The crystal structure of 2-amino-5-carboxypyridin-1-ium iodide monohydrate, C6H9IN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","735","736","10.1515/ncrs-2021-0059","","","0.71073","MoKα","","0.0182","0.0156","","","0.0347","0.0354","","","","","","1.095","","","","has coordinates","273557","2022-03-09","09:17:54",""
"8104697","9.0978","0.0014","18.58","0.003","15.476","0.002","90","","99.516","0.005","90","","2580","0.7","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 B F2 N2 -","- C16 H11 B F2 N2 -","- C128 H88 B8 F16 N16 -","8","2","","Ding, Siyi; Miao, Zong-Cheng","The crystal structure of 2-(3,5-difluorophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H11BF2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","737","739","10.1515/ncrs-2021-0002","","","1.34139","GaKα","","0.051","0.0406","","","0.1193","0.1307","","","","","","1.094","","","","has coordinates","273558","2022-03-09","09:25:01",""
"8104698","12.125","0.0004","13.6413","0.0004","8.1152","0.0003","90","","108.348","0.002","90","","1274.02","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 Ni O2 -","- C30 H32 N2 Ni O2 -","- C60 H64 N4 Ni2 O4 -","2","0.5","","Singh, Nijal K.; Soobramoney, Lynette; Shozi, Mzamo L.; Friedrich, Holger B.; Zamisa, Sizwe J.","Crystal structure of bis{(2-pyridinyl)-1-phenyl-1-isopropylmethanolato-κ2 N,O}nickel, C30H32N2NiO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","741","743","10.1515/ncrs-2021-0064","","","0.71073","MoKα","","0.0353","0.0285","","","0.0699","0.0711","","","","","","1.027","","","","has coordinates","273559","2022-03-09","09:29:07",""
"8104699","7.5246","0.0005","22.554","0.002","11.3358","0.0009","90","","91.881","0.007","90","","1922.8","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N2 Na O4 -","- C24 H23 N2 Na O4 -","- C96 H92 N8 Na4 O16 -","4","1","","Li-Hua, Wang; Li-Li, Liu; Shu-Hua, Cao; Xi-Shi, Tai","Crystal structure of poly[(m3-3-carboxyadamantane-1-carboxylato-κ3 O:O′:O″)-(phenanthroline-κ2 N,N′)sodium(II)], C24H23N2NaO4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","745","747","10.1515/ncrs-2021-0067","","x-ray","0.71073","MoKα","","0.072","0.0496","","","0.1043","0.1184","","","","","","1.038","","","","has coordinates","273560","2022-03-09","09:48:01",""
"8104700","9.2506","0.0002","36.1677","0.0013","12.9475","0.0003","90","","90","","90","","4331.9","0.2","294.43","0.1","294.43","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 B2 F4 N4 -","- C22 H20 B2 F4 N4 -","- C176 H160 B16 F32 N32 -","8","1","","Liu, Yingfan; Sun, Saisai; Ji, Guangqian; Li, Xiaochuan; Son, Young-A","Crystal structure of 2-phenylethynyl-1,3,6,8-tetramethylBOPHY (BOPHY = bis(difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine), C22H20B2F4N4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","749","752","10.1515/ncrs-2021-0074","","x-ray","1.54184","CuKα","","0.0805","0.0729","","","0.1949","0.1992","","","","","","1.14","","","","has coordinates,has disorder","273561","2022-03-09","09:51:11",""
"8104701","9.7933","0.0002","17.529","0.0003","17.1148","0.0003","90","","101.242","0.001","90","","2881.67","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C128 H160 N16 O8 -","8","2","","Buthelezi, Sipho; Ibrahim, Halliru; Bala, Muhammad D.; Friedrich, Holger B.","Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","753","756","10.1515/ncrs-2021-0065","","","0.71073","MoKα","","0.0612","0.0402","","","0.0976","0.1106","","","","","","1.015","","","","has coordinates","273562","2022-03-09","10:05:01",""
"8104702","6.088","0.01","8.911","0.014","16.44","0.03","81.772","0.017","84.683","0.018","76.045","0.017","855","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H12 N O -","- C9 H12 N O -","- C36 H48 N4 O4 -","4","2","","Xiao, Yingcong","The crystal structure of (3Z,3′Z)-4,4′-((1,4-phenylenebis(methylene))bis(azanediyl))bis(pent-3-en-2-one), C18H24N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","757","758","10.1515/ncrs-2021-0066","","","0.71073","MoKα","","0.0701","0.0511","","","0.1648","0.1858","","","","","","1.086","","","","has coordinates","273563","2022-03-09","10:08:51",""
"8104703","10.0821","0.0002","12.9409","0.0002","14.7183","0.0003","76.207","0.001","80.444","0.001","75.592","0.001","1794.63","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C41 H38 Au N O P2 S2 -","- C41 H38 Au N O P2 S2 -","- C82 H76 Au2 N2 O2 P4 S4 -","2","1","","Yusuf, Tunde L.; Pillay, Michael N.; Zamisa, Sizwe J.; van Zyl, Werner E.","Crystal structure of (morpholine-1-carbodithioato-κ2-S,S′)bis(triphenylphosphine-κ-P)gold(I), C41H38AuNOP2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","759","761","10.1515/ncrs-2021-0073","","","0.71073","MoKα","","0.0187","0.017","","","0.0399","0.0407","","","","","","1.039","","","","has coordinates","273564","2022-03-09","10:14:15",""
"8104704","9.483","0.0012","10.2313","0.0012","13.5948","0.0018","111.234","0.002","98.025","0.002","101.707","0.002","1170.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Br2 Cl N2 -","- C26 H19 Br2 Cl N2 -","- C52 H38 Br4 Cl2 N4 -","2","1","","Shao, Han-Qiao; Wang, Yin-Xin; Sun, Hai-Yang; Wang, Yu-Cai; Sun, Wu-Ji","Crystal structure of 1,4-bis(4-bromobenzyl)-4-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile, C26H19Br2ClN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","763","765","10.1515/ncrs-2021-0068","","","0.71073","MoKα","","0.0796","0.0444","","","0.1165","0.1273","","","","","","1.048","","","","has coordinates","273565","2022-03-09","10:27:25",""
"8104705","9.919","0.002","11.752","0.003","12.717","0.003","111.098","0.007","94.467","0.007","98.295","0.007","1355","0.6","102","2","102","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 N4 O5 Re S -","- C27 H23 N4 O5 Re S -","- C54 H46 N8 O10 Re2 S2 -","2","1","","Komane, Wesley K.; Mokolokolo, Pennie; Vatsha, Banele; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl (N′-benzoyl-N,N-diphenylcarbamimidothioato-κ2 S,O)-(pyrazole-κN)rhenium(I) — methanol (1/1) C26H23O4N4SRe","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","767","769","10.1515/ncrs-2021-0046","","","0.71073","MoKα","","0.038","0.0342","","","0.0825","0.0843","","","","","","1.078","","","","has coordinates","273566","2022-03-09","10:30:41",""
"8104706","6.7685","0.0005","12.8618","0.001","5.4685","0.0004","90","","90","","90","","476.06","0.06","298","2","298","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- Ba2 Cl2 Mn O6 Se2 -","- Ba2 Cl2 Mn O6 Se2 -","- Ba4 Cl4 Mn2 O12 Se4 -","2","0.25","","Geng, Lei","The crystal structure of Ba 2 Mn(SeO3)2Cl2 containing 1 ∞[Mn(SeO3)2Cl2]4− chains","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","771","772","10.1515/ncrs-2021-0097","","","0.71073","MoKα","","0.02","0.0191","","","0.0843","0.0854","","","","","","1.077","","","","has coordinates","273567","2022-03-09","10:38:38",""
"8104707","11.8563","0.0006","12.6263","0.0006","13.4492","0.0006","113.563","0.002","96.74","0.002","104.429","0.002","1733.07","0.15","302","2","301.72","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 N4 O7 -","- C42 H38 N4 O7 -","- C84 H76 N8 O14 -","2","1","","Shi, Qing; Zhang, Qi-Long; Xu, Hong; Huang, Ya-Li","Crystal structure of 3,3′,3″-((1E,1′E,1″E)-((nitrilotris(ethane-2,1-diyl))tris(azaneylylidene)) tris(methaneylylidene))tris(4-hydroxy-1-naphthaldehyde) monohydrate, C42H36N4O6·H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","773","775","10.1515/ncrs-2021-0120","","","0.71073","MoKα","","0.061","0.047","","","0.1248","0.1328","","","","","","1.099","","","","has coordinates,has disorder","273584","2022-03-10","08:17:05",""
"8104708","17.827","0.004","11.021","0.002","7.0936","0.0014","90","","100.59","0.03","90","","1370","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile","","- C14 H12 N6 O -","- C14 H12 N6 O -","- C56 H48 N24 O4 -","4","1","","Wang, Wenxiang","The crystal structure of 4-(6-acetyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidin-7-yl)benzonitrile, C14H12N6O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","777","778","10.1515/ncrs-2021-0106","","","0.71073","MoKα","","0.1143","0.0824","","","0.2008","0.2208","","","","","","1.036","","","","has coordinates","273585","2022-03-10","08:20:17",""
"8104709","9.1511","0.0004","5.6679","0.0003","16.7731","0.0009","90","","93.435","0.002","90","","868.42","0.08","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","benzo[<i>d</i>][1,3]dioxol-5-yl 2-(6-methoxynaphthalen-2-yl)propanoate","","- C21 H18 O5 -","- C21 H18 O5 -","- C42 H36 O10 -","2","1","","Sun, Wei; Wang, Yan; Zhou, Xiao-ping; Zhang, Mu-xin; Yang, Jin-zhu; Liang, Di","Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","779","780","10.1515/ncrs-2021-0116","","","1.54178","CuKα","","0.0477","0.041","","","0.1139","0.1204","","","","","","1.069","","","","has coordinates","273586","2022-03-10","08:23:21",""
"8104710","18.861","0.004","12","0.002","17.787","0.004","90","","105.15","0.03","90","","3885.9","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N5 O2 S -","- C20 H19 N5 O2 S -","- C160 H152 N40 O16 S8 -","8","1","","Wang, Wenxiang","The crystal structure of ethyl 5-methyl-7-(4-(phenylthio)phenyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C20H19N5O2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","781","783","10.1515/ncrs-2021-0122","","","0.71073","MoKα","","0.134","0.0654","","","0.1277","0.1538","","","","","","1.037","","","","has coordinates","273587","2022-03-10","08:26:46",""
"8104711","8.8207","0.0006","9.7818","0.0008","20.9498","0.0017","90","","97.259","0.003","90","","1793.1","0.2","273.15","","273.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C31 H46 N10 O8 -","- C31 H46 N10 O8 -","- C62 H92 N20 O16 -","2","0.5","","Xiong, Ying; An, Ya","Crystal structure of N′,N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis(methaneylylidene))-di(isonicotinohydrazide)– water – dimethylformamide (1/4/2), C25H24N8O2·4H2O·2C3H7NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","785","787","10.1515/ncrs-2021-0091","","","0.71073","MoKα","","0.0571","0.0426","","","0.1208","0.1269","","","","","","1.074","","","","has coordinates","273588","2022-03-10","08:29:42",""
"8104712","6.9561","0.0005","7.304","0.0005","13.2883","0.0008","100.988","0.003","95.557","0.003","107.424","0.003","623.76","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","",";4-(2,4-dinitrophenoxy)benzaldehyde;","","- C13 H8 N2 O6 -","- C13 H8 N2 O6 -","- C26 H16 N4 O12 -","2","1","","Hao, Chen-Hong; Meng, Jiao; Tian, Jing; Luo, Xiao-Fang; Wang, Zong-Cheng","Synthesis and crystal structure of 4-(2,4-dinitrophenoxy)benzaldehyde, C13H8N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","789","790","10.1515/ncrs-2021-0099","","","0.71073","MoKα","","0.0595","0.0376","","","0.0886","0.1008","","","","","","1.035","","","","has coordinates,has disorder","273589","2022-03-10","08:33:13",""
"8104713","5.344","0.003","7.871","0.005","23.614","0.015","95.99","0.012","95.747","0.012","98.386","0.012","970.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H32 Br N O -","- C17 H32 Br N O -","- C34 H64 Br2 N2 O2 -","2","1","","Sun, Yanwen; Chen, Zhen; Wang, Xiaozhong","The crystal structure of 1-dodecylpyridin-1-ium bromide monohydrate, C17H32BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","791","793","10.1515/ncrs-2021-0096","","","0.71073","MoKα","","0.1089","0.055","","","0.1278","0.1527","","","","","","0.925","","","","has coordinates","273590","2022-03-10","08:36:59",""
"8104714","7.2312","0.0001","17.7721","0.0003","11.0146","0.0002","90","","104.557","0.002","90","","1370.08","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N6 O3 -","- C10 H16 N6 O3 -","- C40 H64 N24 O12 -","4","1","","Liu, Xiao-Jing; Liu, E.; Jin, Ze-Sen; Li, Zhuang-Yu; Jian, Fang-Fang; Liang, Tongling","Crystal structure of (E)-amino(2-(4-(dimethylamino)benzylidene)hydrazineyl)methaniminium nitrate, C10H16N6O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","795","796","10.1515/ncrs-2021-0092","","x-ray","1.54184","CuKα","","0.0564","0.0532","","","0.1504","0.1537","","","","","","1.0403","","","","has coordinates","273591","2022-03-10","08:42:23",""
"8104715","7.3652","0.0003","16.8683","0.0007","8.3779","0.0003","90","","101.525","0.004","90","","1019.87","0.07","170","0.1","170","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 N6 O4 -","- C6 H12 N6 O4 -","- C24 H48 N24 O16 -","4","1","","Jin, Ze-Sen; Liu, Xiao-jing; Li, Zhuang-Yu; Liu, E.; Jian, Fang-fang; Liang, Tongling","Crystal structure of (E)-(2-((1H-pyrrol-2-yl)methylene)hydrazineyl)(amino)methaniminium nitrate monohydrate, C6H12N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","797","798","10.1515/ncrs-2021-0084","","x-ray","0.71073","MoKα","","0.0431","0.035","","","0.0976","0.1027","","","","","","1.0265","","","","has coordinates","273592","2022-03-10","08:46:23",""
"8104716","8.3112","0.0002","15.9513","0.0004","17.1068","0.0004","90","","99.671","0.002","90","","2235.69","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H60 Cl2 Cu N12 -","- C36 H60 Cl2 Cu N12 -","- C72 H120 Cl4 Cu2 N24 -","2","0.5","","He, Qingpeng; Liu, Gang; Xue, Zechun","The crystal structure of hexakis(1-propylimidazole-κ1 N)copper(II) dichloride, C36H60Cl2CuN12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","799","801","10.1515/ncrs-2021-0087","","","1.54178","CuKα","","0.0598","0.0523","","","0.1505","0.1606","","","","","","1.038","","","","has coordinates,has disorder","273593","2022-03-10","08:49:49",""
"8104717","11.611","0.004","11.157","0.006","13.307","0.005","90","","100.12","0.03","90","","1697","1.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H54 Li2 N4 Si2 -","- C32 H54 Li2 N4 Si2 -","- C64 H108 Li4 N8 Si4 -","2","0.5","","Tong, Hong-Bo; Wang, Meng-Liang","The crystal structure of bis{(μ2-3,3-dimethyl-1-phenylbut-1-en-2-yl)((dimethylamino)dimethylsilyl)amido-κ3 N,N′:N′}dilithium, C32H54Li2N4Si2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","803","805","10.1515/ncrs-2021-0090","","","0.71073","MoKα","","0.065","0.0622","","","0.1539","0.1561","","","","","","1.008","","","","has coordinates","273594","2022-03-10","09:19:16",""
"8104718","6.8522","0.0009","8.4333","0.0011","13.1908","0.0018","90","","95.88","0.005","90","","758.24","0.17","193","","193","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H15 B N2 O2 -","- C18 H15 B N2 O2 -","- C36 H30 B2 N4 O4 -","2","1","","Ren, Huaping; Miao, Zong-Cheng","The crystal structure of methyl 4-(1H-naphtho[1,8-de][1,3,2]diazaborinin-2(3H)-yl)benzoate, C18H15BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","807","808","10.1515/ncrs-2021-0082","","","1.34139","GaKα","","0.0391","0.0381","","","0.1056","0.1068","","","","","","1.079","","","","has coordinates","273595","2022-03-10","09:25:54",""
"8104719","21.9623","0.0008","9.7431","0.0004","16.1379","0.0005","90","","132.053","0.001","90","","2564.09","0.17","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 Cl F3 N3 O S -","- C11 H7 Cl F3 N3 O S -","- C88 H56 Cl8 F24 N24 O8 S8 -","8","1","","Zhao, Benbo; Yuan, Changchun; Xun, Miao-Miao; Fu, Kai","Crystal structure of (E)-N-(1-((2-chlorothiazol-5-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide, C11H7ClF3N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","809","810","10.1515/ncrs-2021-0089","","","0.71073","MoKα","","0.065","0.0456","","","0.0842","0.0938","","","","","","1.12","","","","has coordinates,has disorder","273596","2022-03-10","09:29:42",""
"8104720","8.0277","0.0006","11.146","0.001","15.8921","0.0013","99.439","0.003","102.525","0.003","95.309","0.003","1357.2","0.2","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N8 O4 -","- C26 H30 N8 O4 -","- C52 H60 N16 O8 -","2","1","","Xiong, Ying; An, Ya","Crystal structure of N′, N‴-((propane-2,2-diylbis(1H-pyrrole-5,2-diyl))bis (methaneylylidene))di(picolinohydrazide) – water – methanol (1/1/1), C25H24N8O2·H2O·CH3OH","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","811","813","10.1515/ncrs-2021-0083","","","0.71073","MoKα","","0.061","0.0442","","","0.109","0.1167","","","","","","1.066","","","","has coordinates","273597","2022-03-10","09:42:47",""
"8104721","21.218","0.006","5.9599","0.0016","9.439","0.003","90","","99.295","0.003","90","","1178","0.6","296","2","296.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H21 Cl2 F3 N4 O -","- C26 H21 Cl2 F3 N4 O -","- C52 H42 Cl4 F6 N8 O2 -","2","1","","Fang, Shu-Fen; Peng, Wen-Wen; Xiong, Yuan-Zhen; Nie, Xu-Liang; Huang, Jian-Ping","Crystal structure of 3-(2-chloro-benzyl)-7-[4-(2-chloro-benzyl)-piperazin-1-yl]-5,6,8-trifluoro-3H-quinazolin-4-one, C 26 H 21 Cl 2 F 3 N 4 O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","815","817","10.1515/ncrs-2021-0085","","","0.71073","MoKα","","0.0492","0.0471","","","0.1271","0.1282","","","","","","1.031","","","","has coordinates","273598","2022-03-10","09:47:01",""
"8104722","12.4233","0.0011","7.3805","0.0007","18.9531","0.0016","90","","104.109","0.003","90","","1685.4","0.3","298","2","298.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F2 N2 -","- C20 H18 F2 N2 -","- C80 H72 F8 N8 -","4","1","","Ning, Zhi Wei; Gan, Lin Ling; Zhou, Shu Jing; Tian, Jie; Du, Yu Hui; Zhang, Hui Zhen","Crystal structure of N 1,N 2-bis(2-fluorobenzyl)benzene-1,2-diamine,C20H18F2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","819","820","10.1515/ncrs-2021-0094","","","0.71073","MoKα","","0.107","0.0464","","","0.0954","0.1201","","","","","","0.946","","","","has coordinates,has disorder","273599","2022-03-10","09:51:06",""
"8104723","10.082","0.0014","13.1135","0.0019","20.644","0.003","90","","90","","90","","2729.3","0.7","193","","193","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H13 B N2 O2 -","- C17 H13 B N2 O2 -","- C136 H104 B8 N16 O16 -","8","1","","Ren, Huaping; Miao, Zong-Cheng","The crystal structure of 2-(benzo[d][1,3]dioxol-5-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C17H13BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","821","822","10.1515/ncrs-2021-0081","","","1.34139","GaKα","","0.0402","0.0373","","","0.0978","0.1005","","","","","","1.075","","","","has coordinates","273600","2022-03-10","09:59:30",""
"8104724","6.1463","0.0012","8.3637","0.0016","12.461","0.003","85.578","0.005","85.942","0.005","86.31","0.005","635.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Br2 N4 O8 S2 -","- C18 H20 Br2 N4 O8 S2 -","- C18 H20 Br2 N4 O8 S2 -","1","0.5","","Ma, Ling; Yang, Ruoqi; Li, Jianqing","The crystal structure of 6,6′-((1E,1′E)-hydrazine-1,2-diylidenebis(methaneylylidene)) bis(2-bromo-4-nitrophenol) — dimethylsulfoxide (1/2), C14H8Br2N4O6⋅2(C2H6OS)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","823","825","10.1515/ncrs-2021-0079","","","0.71073","MoKα","","0.1261","0.0601","","","0.0848","0.0983","","","","","","1.055","","","","has coordinates,has disorder","273601","2022-03-10","10:14:45",""
"8104725","7.1486","0.0003","7.8265","0.0003","13.6579","0.0005","81.085","0.003","77.487","0.004","73.335","0.004","711.13","0.05","290","1","290","1","","","","","","","","5","P 1","P 1","1","","","","- C13 H17 Cl2 N O2 -","- C13 H17 Cl2 N O2 -","- C26 H34 Cl4 N2 O4 -","2","2","","Luelf, U. Joost; Reiss, Guido J.; Bokel, Ansgar; Urlacher, Vlada B.","Selective biocatalytic synthesis and crystal structure of (2R,6R)-hydroxyketaminium chloride, C13H17Cl2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","827","829","10.1515/ncrs-2021-0055","","","0.71073","MoKα","","0.094","0.0536","","","0.0739","0.0878","","","","","","1.008","","","","has coordinates","273602","2022-03-10","10:18:56",""
"8104726","6.6434","0.0004","9.3788","0.0005","18.5581","0.001","86.262","0.002","89.642","0.002","84.726","0.002","1148.96","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Co4 N8 O26 -","- C36 H44 Co4 N8 O26 -","- C36 H44 Co4 N8 O26 -","1","0.5","","Li, Fenfang; Liu, Xiuping","Crystal structure of bis{tetraaqua-[μ3-1-(4-carboxylatophenyl)-5-methyl-1H-pyrazole-3-carboxylate-κ4 N,O,O′,O″] [μ2-1-methyl-1H-pyrazole-3,5-dicarboxylate-κ3 N,O:O]dicobalt(II)} dihydrate, C36H44Co4N8O26","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","831","833","10.1515/ncrs-2021-0080","","","0.71073","MoKα","","0.0302","0.0258","","","0.0659","0.0679","","","","","","1.268","","","","has coordinates","273603","2022-03-10","10:22:20",""
"8104727","27.191","0.003","8.7442","0.0003","20.861","0.002","90","","136.337","0.018","90","","3424.5","1.2","294.7","0.4","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C144 H160 O48 -","8","1","","Li, Peipei; Huang, Yu; Fan, Yanru; Wang, Hao","Crystal structure of diethyl-2,2′-naphthalene-2,3-diylbis(oxy)diacetate, C18H20O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","835","837","10.1515/ncrs-2021-0061","","","1.54184","CuKα","","0.0637","0.0553","","","0.1505","0.1625","","","","","","1.049","","","","has coordinates","273604","2022-03-10","10:25:23",""
"8104728","10.2994","0.0008","10.7795","0.0007","11.0038","0.0007","89.778","0.005","78.046","0.006","83.049","0.006","1186.11","0.15","292.9","0.1","292.9","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cd N6 O4 -","- C27 H18 Cd N6 O4 -","- C54 H36 Cd2 N12 O8 -","2","1","","Yang, Qing-Lin; Fu, Peng-Kun; Xiong, Ding-Qi; Zhang, Xiao-Yu; Jia, Mei-Mei; Dong, Xiu-Yan","Synthesis and crystal structure of poly[(μ3-2-(2-carboxylatophenyl)-1H-benzo[d]imidazole-5-carboxylato-κO,O′:O′;:O″, O″′)-(μ2-1-(4-(1Himidazol-1-yl)phenyl)-1H-imidazole-κ2N:N′)cadmium(II)], C27H18CdN6O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","839","841","10.1515/ncrs-2021-0098","","x-ray","0.71073","MoKα","","0.0526","0.0402","","","0.0726","0.0809","","","","","","1.037","","","","has coordinates","273605","2022-03-10","10:28:32",""
"8104729","4.408","0.0003","12.1316","0.001","14.0769","0.0012","102.81","0.007","97.455","0.007","97.982","0.007","716.81","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N4 O8 Zn -","- C32 H30 N4 O8 Zn -","- C32 H30 N4 O8 Zn -","1","0.5","","Du, Lian-Cai; Tai, Xi-Shi","The crystal structure of catena-poly[diaqua-bis(μ2-2-((2-(2-phenylacetyl)hydrazineylidene)methyl)benzoato-κ2 O:O')zinc(II)], C32H30N4O8Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","843","844","10.1515/ncrs-2021-0110","","x-ray","0.71073","MoKα","","0.0431","0.0367","","","0.0731","0.0761","","","","","","1.047","","","","has coordinates","273606","2022-03-10","10:34:55",""
"8104730","12.5782","0.0014","13.6724","0.0014","8.7113","0.0009","90","","97.819","0.006","90","","1484.2","0.3","193","2","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 B N2 O2 -","- C18 H17 B N2 O2 -","- C72 H68 B4 N8 O8 -","4","1","","Ma, Qiang; Miao, Zong-Cheng","The crystal structure of 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-naphtho [1,8-de][1,3,2]diazaborinine, C18H17BN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","845","846","10.1515/ncrs-2021-0114","","","1.34139","GaKα","","0.0619","0.0482","","","0.1277","0.1357","","","","","","1.076","","","","has coordinates","273607","2022-03-10","10:38:17",""
"8104731","8.232","0.0009","16.2902","0.0016","17.3843","0.0017","90","","101.773","0.003","90","","2282.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Cl2 N16 Ni -","- C40 H64 Cl2 N16 Ni -","- C80 H128 Cl4 N32 Ni2 -","2","0.5","","He, Qingpeng; Liu, Sen; Xue, Zechun","The crystal structure of hexakis(1-ethylimidazole-κ1 N)nickel(II) dichloride – 1-ethylimidazole (1/2), C40H64Cl2NiN16","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","847","849","10.1515/ncrs-2021-0113","","","0.71073","MoKα","","0.0623","0.0448","","","0.1102","0.1181","","","","","","1.044","","","","has coordinates,has disorder","273608","2022-03-10","10:40:41",""
"8104732","4.7705","0.0001","14.6219","0.0005","14.7418","0.0003","61.225","0.003","85.342","0.002","83.938","0.002","895.73","0.05","169.99","0.1","170","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cu2 N8 O27 -","- C24 H26 Cu2 N8 O27 -","- C24 H26 Cu2 N8 O27 -","1","0.5","","Liu, Xiao-Jing; Li, Wen-Yu; Guo, Zi-Yu; Liu, E.; Jian, Fang-Fang; Liang, Tongling","Crystal structure of diaqua-bis(2,4-dinitrophenolato-κ2 O,O′)copper(II) 1.5 hydrate, C12H13CuN4O13.5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","851","853","10.1515/ncrs-2021-0093","","","1.54184","CuKα","","0.0505","0.0485","","","0.1323","0.1341","","","","","","1.0546","","","","has coordinates","273609","2022-03-10","10:44:33",""
"8104733","11.094","0.006","17.694","0.011","8.698","0.005","90","","103.56","0.02","90","","1659.8","1.7","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N6 O4 -","- C36 H40 N6 O4 -","- C72 H80 N12 O8 -","2","0.5","","Xiong, Ying; Gao, Chuan","Crystal structure of N′,N‴-((1E,1′E)-((decane-1,10-diylbis(oxy))bis(2,1-phenylene)) bis(methaneylylidene))di(isonicotinohydrazide), C36H40N6O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","855","856","10.1515/ncrs-2021-0125","","","0.71073","MoKα","","0.0784","0.047","","","0.1219","0.1375","","","","","","1.094","","","","has coordinates","273610","2022-03-10","10:47:04",""
"8104734","6.6936","0.0004","8.8892","0.0006","13.2577","0.0008","90","","97.74","0.001","90","","781.66","0.08","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Geng, Yi-Ding; Gong, Yi-Xia; Zhou, Shu-Jing; Wang, Gui-Yan","The crystal structure of 2-[(R)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a-tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","857","859","10.1515/ncrs-2021-0131","","","0.71073","MoKα","","0.0473","0.0387","","","0.0707","0.0741","","","","","","1.07","","","","has coordinates","273645","2022-03-11","09:29:18",""
"8104735","8.358","0.0017","10.22","0.002","11.227","0.002","85.25","0.03","81.35","0.03","88.72","0.03","944.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C48 H38 N2 O4 -","2","1","","Usman, Rabia; Khan, Arshad; Al-Hazmi, Ghaferah H.; Refat, Moamen S.; He, Nongyue","Synthesis and crystal structure of (1E,2E)-3-(anthracen-9-yl)-1-(4-methoxyphenyl)prop-2-en-1-one oxime, C24H19NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","861","862","10.1515/ncrs-2021-0144","","","0.71073","MoKα","","0.2018","0.0873","","","0.1556","0.1988","","","","","","0.981","","","","has coordinates","273646","2022-03-11","09:34:57",""
"8104736","7.407","0.003","44.336","0.016","6.046","0.002","90","","90","","90","","1985.5","1.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H16 Br2 N0 O2 -","- C24 H16 Br2 O2 -","- C96 H64 Br8 O8 -","4","0.5","","Usman, Rabia; Khan, Arshad; Refat, Moamen S.; Al-Hazmi, Ghaferah H.; He, Nongyue","Synthesis and crystal structure of (2E,2′E)-3,3′-(1,3-phenylene)bis(1-(3-bromophenyl)prop-2-en-1-one), C24H16Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","863","864","10.1515/ncrs-2021-0139","","","0.71073","MoKα","","0.0901","0.0602","","","0.1208","0.1315","","","","","","1.135","","","","has coordinates","273647","2022-03-11","09:39:00",""
"8104737","8.6869","0.0007","9.0094","0.0008","9.5839","0.0008","74.288","0.007","87.672","0.007","76.11","0.007","700.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Cu N10 O6 -","- C28 H28 Cu N10 O6 -","- C28 H28 Cu N10 O6 -","1","0.5","","Chen, Hai-Lin; Lan, Jian-Jing; Qin, Yue; Yao, Dong-Mei; Wang, Yan-Ping; Li, Meng-Xi; Tan, Chuang","The crystal structure of catena-poly[bis(µ2-1,2-bis((1H-imidazol-1-yl)methyl)benzene- κ2 N:N′)-bis(nitrato-κO)copper(II)], C28H28N10O6Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","865","866","10.1515/ncrs-2021-0135","","","0.71073","MoKα","","0.0649","0.0492","","","0.0882","0.0979","","","","","","1.046","","","","has coordinates","273648","2022-03-11","09:42:30",""
"8104738","10.414","0.002","10.589","0.002","16.872","0.003","90","","90","","90","","1860.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Usman, Rabia; Khan, Arshad; Refat, Moamen S.; He, Nongyue","Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C23H18N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","867","869","10.1515/ncrs-2021-0127","","","0.71073","MoKα","","0.0988","0.0588","","","0.1262","0.1464","","","","","","1.029","","","","has coordinates","273649","2022-03-11","09:45:10",""
"8104739","6.0194","0.0004","20.9249","0.0013","7.7103","0.0005","90","","107.783","0.002","90","","924.75","0.1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N O S -","- C9 H11 N O S -","- C36 H44 N4 O4 S4 -","4","1","","Yoo, Miri; Koh, Dongsoo","Crystal structure of (E)-3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, C9H11NOS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","871","872","10.1515/ncrs-2021-0137","","","0.71073","MoKα","","0.0443","0.0373","","","0.0992","0.1061","","","","","","1.062","","","","has coordinates","273650","2022-03-11","09:48:05",""
"8104740","11.0801","0.0004","6.8489","0.0003","35.3975","0.0013","90","","90","","90","","2686.19","0.18","291.66","0.12","291.66","0.12","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H8 Cu I N5 O5 -","- C9 H8 Cu I N5 O5 -","- C72 H64 Cu8 I8 N40 O40 -","8","1","","Lv, Benlian","Crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 N,O,O′)-(μ2-4-amino-4H-1,2,4-triazole-κ2 N:N′) copper(II)], C9H8N5O5CuI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","873","875","10.1515/ncrs-2021-0112","","x-ray","0.71073","MoKα","","0.0346","0.0325","","","0.0699","0.0707","","","","","","1.241","","","","has coordinates","273651","2022-03-11","09:50:57",""
"8104741","5.376","0.002","15.787","0.006","21.103","0.007","90","","92.356","0.006","90","","1789.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 N0 O3 -","- C24 H18 O3 -","- C96 H72 O12 -","4","1","","Zeng, Li; Tang, Gui-Yun; Wang, Yu-Cai; Liu, Chun-Yan","Crystal structure of cyclopropane-1,2,3-triyltris(phenylmethanone), C24H18O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","877","878","10.1515/ncrs-2021-0126","","","0.71073","MoKα","","0.1059","0.0569","","","0.1015","0.1166","","","","","","1.078","","","","has coordinates","273652","2022-03-11","09:53:58",""
"8104742","13.378","0.004","5.0129","0.0014","13.396","0.004","90","","96.118","0.004","90","","893.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N8 O4 S2 -","- C12 H18 N8 O4 S2 -","- C24 H36 N16 O8 S4 -","2","0.5","","Hou, Yimin; Zhang, Zhongyun; Zhu, Xin","Crystal structure of bis(amino(thioureido)methaniminium) terephthalate, C12H18N8O4S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","879","880","10.1515/ncrs-2021-0107","","","0.71073","MoKα","","0.0901","0.0561","","","0.1098","0.1201","","","","","","0.808","","","","has coordinates","273653","2022-03-11","09:56:49",""
"8104743","14.1635","0.0008","12.1381","0.0006","14.4528","0.0007","90","","104.361","0.002","90","","2407.1","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Eu N2 O10 -","- C21 H25 Eu N2 O10 -","- C84 H100 Eu4 N8 O40 -","4","1","","Song, Wenqi; Zhu, Yanfang; Miao, Zong-Cheng","A three-dimensional Eu(III) framework in the crystal structure of dimethylaminium poly[dimethylformamide-κ1 N)bis(μ4-terephthalato-κ4 O:O′:O′′:O′′′)europium(III)] monohydrate, C21H25EuN2O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","881","883","10.1515/ncrs-2021-0101","","","0.71073","MoKα","","0.0341","0.0304","","","0.0864","0.0893","","","","","","1.059","","","","has coordinates","273654","2022-03-11","09:59:34",""
"8104744","5.7726","0.001","12.662","0.002","12.068","0.003","90","","92.377","0.011","90","","881.3","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","","Sun, Wei; Shi, Zhe; Wang, Yan; Zhou, Xiao-ping; Liang, Di","Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","885","886","10.1515/ncrs-2021-0134","","","1.54178","CuKα","","0.0384","0.0342","","","0.0855","0.0887","","","","","","1.054","","","","has coordinates","273655","2022-03-11","10:02:14",""
"8104745","16.768","0.0008","16.768","0.0008","9.7523","0.0004","90","","90","","120","","2374.65","0.19","213","","213","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H60 Mo2 N6 -","- C24 H60 Mo2 N6 -","- C72 H180 Mo6 N18 -","3","0.166667","","Brauner, Tobias; Wagner, Christoph; Merzweiler, Kurt","The crystal structure of Hexakis(diethylamido)dimolybdenum, Mo2(NEt2)6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","887","889","10.1515/ncrs-2021-0138","","","0.71073","MoKα","","0.0211","0.0205","","","0.0513","0.0517","","","","","","1.108","","","","has coordinates","273656","2022-03-11","10:06:03",""
"8104746","16.136","0.004","16.432","0.004","23.881","0.006","90","","101.9","0.003","90","","6196","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H57 Cl2 N13 Ni3 O6 -","- C63 H57 Cl2 N13 Ni3 O6 -","- C252 H228 Cl8 N52 Ni12 O24 -","4","1","","Yang, Liguo; Wang, Xin; Luo, Dan; Liu, Nana; Tian, Dayong","The crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxidoethylidene)benzohydrazonato-κ5 N,O,O′:N′,O′′)hexkis(pyridine-κ1 N)trinickel(II) - pyridine (1/1), C63H57Cl2N13Ni3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","487","490","10.1515/ncrs-2020-0600","","","0.71073","MoKα","","0.0656","0.0461","","","0.1195","0.1357","","","","","","1.029","","","","has coordinates","273657","2022-03-11","10:09:21",""
"8104747","17.657","0.003","16.047","0.003","18.346","0.003","90","","109.062","0.004","90","","4913.2","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H82 Cl2 N8 Ni2 O15 -","- C36 H82 Cl2 N8 Ni2 O15 -","- C144 H328 Cl8 N32 Ni8 O60 -","4","1","","Li, Wen-Yi; Ou, Guang-Chuan","Crystal structure of [(μ2-succinato κ3 O,O′:O′′)-bis-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)]dinickel(II)] diperchlorate, dihydrate C36H82Cl2N8Ni2O15","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","491","493","10.1515/ncrs-2020-0616","","","0.71073","MoKα","","0.0939","0.0561","","","0.1445","0.1664","","","","","","1.036","","","","has coordinates","273658","2022-03-11","10:23:44",""
"8104748","22.39","0.004","6.2758","0.0013","14.962","0.003","90","","104.15","0.03","90","","2038.6","0.7","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cd N4 O9 -","- C18 H14 Cd N4 O9 -","- C72 H56 Cd4 N16 O36 -","4","0.5","","Chang, Si-Yuan; Li, Bing-Feng","Crystal structure of catena-poly[aquabis(3-nitrobenzoato-κ2 O:O′)-(μ 2-pyrazine-N: N′)cadmium(II)], C18H14N4O9Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","495","497","10.1515/ncrs-2020-0628","","","0.71073","MoKα","","0.0265","0.0238","","","0.0515","0.0539","","","","","","1.066","","","","has coordinates,has disorder","273659","2022-03-11","10:26:43",""
"8104749","11.5474","0.001","11.0737","0.0007","11.4311","0.001","90","","114.979","0.011","90","","1325","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F2 N O2 -","- C14 H15 F2 N O2 -","- C56 H60 F8 N4 O8 -","4","1","","Li, Huixing; Han, Xinlong; Cao, Bin","Crystal structure of 4-(2,2-difluoroethyl)-2,4,6-trimethylisoquinoline-1,3(2H,4H)-dione, C14H15F2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","499","501","10.1515/ncrs-2020-0635","","","0.71073","MoKα","","0.099","0.0738","","","0.1862","0.2034","","","","","","1.084","","","","has coordinates,has disorder","273660","2022-03-11","10:29:28",""
"8104750","9.7499","0.0003","12.9758","0.0004","8.2681","0.0003","90","","103.784","0.002","90","","1015.9","0.06","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","thioxanthen-9-one-10,10-dioxide","thioxanthen-9-one-10,10-dioxide","","- C13 H8 O3 S -","- C13 H8 O3 S -","- C52 H32 O12 S4 -","4","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of thioxanthen-9-one-10,10-dioxide, C13H8O3S – a second polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","503","505","10.1515/ncrs-2020-0578","","","0.71073","MoKα","","0.0331","0.0318","","","0.0914","0.0927","","","","","","1.086","","","","has coordinates","273661","2022-03-11","10:32:07",""
"8104751","14.0279","0.0013","7.0527","0.0005","14.415","0.0016","90","","113.165","0.012","90","","1311.2","0.2","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F N O2 -","- C17 H14 F N O2 -","- C68 H56 F4 N4 O8 -","4","1","","Zhang, Xiao-Fan; Meng, Qing-Guo","Crystal structure of (E)-2-((2-methoxy-3-pyridyl)methylene)-7-fluoro-3,4-dihydronaphthalen-1(2H)-one, C17H14FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","507","509","10.1515/ncrs-2020-0603","","","0.71073","MoKα","","0.0703","0.0524","","","0.1236","0.1358","","","","","","1.029","","","","has coordinates","273662","2022-03-11","10:34:43",""
"8104752","6.3783","0.0004","8.263","0.0005","10.5891","0.0007","90","","90.877","0.002","90","","558.02","0.06","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","diaquahydrogen 2,5-dimethylbenzenesulphonate","diaquahydrogen 2,5-dimethylbenzenesulphonate","","- C8 H14 O5 S -","- C8 H14 O5 S -","- C16 H28 O10 S2 -","2","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of diaquahydrogen 2,5-dimethylbenzenesulphonate, C8H14O5S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","511","513","10.1515/ncrs-2020-0595","","","0.71073","MoKα","","0.0265","0.0254","","","0.0705","0.0715","","","","","","1.063","","","","has coordinates","273663","2022-03-11","10:37:18",""
"8104753","8.6755","0.0003","8.6755","0.0003","11.1611","0.0004","90","","90","","90","","840.03","0.05","296","2","296","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","2,4-dicyclohexyliminepentane","2,4-dicyclohexyliminepentane","","- C17 H30 N2 -","- C17 H30 N2 -","- C34 H60 N4 -","2","0.25","","Hosten, Eric C.; Betz, Richard","The crystal structure of N-(4-(cyclohexylimino)pent-2-en-2-yl)cyclohexanamine, C17H30N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","515","517","10.1515/ncrs-2020-0579","","","0.71073","MoKα","","0.0531","0.0488","","","0.1367","0.1417","","","","","","1.073","","","","has coordinates","273690","2022-03-15","09:32:59",""
"8104754","9.0331","0.0009","13.4475","0.0014","27.586","0.003","90","","94.879","0.009","90","","3338.8","0.6","290","2","290","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 H14 Br2 N2 -","- C8 H14 Br2 N2 -","- C96 H168 Br24 N24 -","12","1.5","","Brandt, Niklas; Reiss, Guido J.","The twinned crystal structure of 1,3-phenylenedimethanaminium dibromide, C8H14Br2N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","519","521","10.1515/ncrs-2020-0618","","","0.71073","MoKα","","0.1025","0.0582","","","0.0849","0.0885","","","","","","1.565","","","","has coordinates","273691","2022-03-15","09:39:13",""
"8104755","4.6658","0.00001","12.2129","0.0004","17.0355","0.0005","74.925","0.002","86.398","0.002","88.04","0.002","935.31","0.04","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H11 N5 O10 S -","- C16 H11 N5 O10 S -","- C32 H22 N10 O20 S2 -","2","1","","Cao, Huizhi; Yan, Mi; Huang, Shiliang; He, Xuan; Cao, Xiong","Crystal structure of 2,4,7,9-tetranitro-10H-benzofuro[3,2-b]indole – dimethyl sulfoxide (1/1), C16H11N5O10S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","523","525","10.1515/ncrs-2020-0614","","","1.54178","CuKα","","0.0864","0.0642","","","0.1605","0.1744","","","","","","1.068","","","","has coordinates,has disorder","273692","2022-03-15","09:48:08",""
"8104756","16.593","0.0005","5.7298","0.0002","20.8714","0.0006","90","","99.862","0.001","90","","1955.02","0.11","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N4 O4 -","- C24 H18 N4 O4 -","- C96 H72 N16 O16 -","4","1","","Jeong, Yu Jeong; Park, Juhyeon; Min, Ahreum; Kim, Tae Ho; Choi, Myong Yong","Crystal structure of 2,6-bis(2-(pyridin-3-yl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetraone, C24H18N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","527","529","10.1515/ncrs-2020-0626","","","0.71073","MoKα","","0.0533","0.0415","","","0.1036","0.1115","","","","","","1.047","","","","has coordinates","273693","2022-03-15","10:16:43",""
"8104757","12.0518","0.0015","9.7403","0.0011","6.9562","0.0009","90","","99.047","0.004","90","","806.42","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,4-dichlorobenzoic acid chloride","3,4-dichlorobenzoic acid chloride","","- C7 H3 Cl3 O -","- C7 H3 Cl3 O -","- C28 H12 Cl12 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 3,4-dichlorobenzoic acid chloride, C7H3Cl3O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","531","532","10.1515/ncrs-2020-0561","","","0.71073","MoKα","","0.0377","0.0316","","","0.0761","0.0793","","","","","","1.097","","","","has coordinates","273694","2022-03-15","10:19:36",""
"8104758","9.4677","0.0013","12.0147","0.0017","13.571","0.003","102.907","0.003","102.302","0.003","110.419","0.002","1336.7","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N6 S4 Zn -","- C26 H18 N6 S4 Zn -","- C52 H36 N12 S8 Zn2 -","2","1","","Yan, Wei-Hong; Liu, Xue-Guo; Shen, Ming-Le; Pan, Hui-Yan","Crystal structure of 1,1′-(1,4-phenylenebis(methylene))bis(pyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-k2 S:S)zinc(II), C26H18N6ZnS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","533","535","10.1515/ncrs-2020-0624","","","0.71073","MoKα","","0.052","0.0441","","","0.1155","0.1202","","","","","","0.967","","","","has coordinates","273695","2022-03-15","10:22:54",""
"8104759","32.663","0.007","7.4214","0.0015","21.785","0.004","90","","131.68","0.03","90","","3944","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","tetrakis(<i>μ</i>-naphthalene-1-carboxylato-<i>κ</i>^2^O,O') bis(methanol)copper(II)","","- C46 H36 Cu2 O10 -","- C46 H36 Cu2 O10 -","- C184 H144 Cu8 O40 -","4","0.5","","Shi, Li-Qin","Crystal structure of tetrakis(μ-naphthalene-1-carboxylato-κ 2 O,O′)bis(methanol)copper(II), C46H36Cu2O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","537","539","10.1515/ncrs-2020-0622","","","0.71073","MoKα","","0.0936","0.0478","","","0.1002","0.1583","","","","","","1.186","","","","has coordinates","273696","2022-03-15","10:26:10",""
"8104760","9.277","0.0007","8.4582","0.0006","13.443","0.0012","90","","98.199","0.008","90","","1044.05","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Ke, Yu-Jing; Liang, Peng-Jie; Wang, Peng-Cheng; Xian, Shao-Hua; Li, Guo-Qiang","Crystal structure of 9-methyl-3-methylene-1,2,3,9-tetrahydro-4H-carbazol-4-one, C14H13NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","541","542","10.1515/ncrs-2020-0617","","x-ray","0.71073","MoKα","","0.0633","0.0484","","","0.1049","0.1151","","","","","","1.043","","","","has coordinates","273720","2022-03-16","08:52:01",""
"8104761","7.3376","0.0008","37.536","0.004","7.7149","0.0008","90","","117.119","0.001","90","","1891.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 N9 O7 S2 -","- C12 H19 N9 O7 S2 -","- C48 H76 N36 O28 S8 -","4","1","","Wang, Peizhi; Wang, Rui; Zhang, Tingting","Crystal structure of bis(amino(carbamothioylamino)methaniminium) 3-nitrophthalate monohydrate, C12H19N9O7S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","543","544","10.1515/ncrs-2020-0611","","","0.71073","MoKα","","0.0482","0.0453","","","0.1288","0.1321","","","","","","1.007","","","","has coordinates","273721","2022-03-16","08:55:26",""
"8104762","7.0474","0.0007","12.7519","0.0012","28.194","0.003","90","","93.984","0.002","90","","2527.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3,3'-(1,2-phenylenebis(methylene))bis(1-Ethyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)","","- C18 H24 F12 N4 P2 -","- C18 H24 F12 N4 P2 -","- C72 H96 F48 N16 P8 -","4","1","","Zhao, Wen; Liu, Xin-Ting; Wu, Su-Qin; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-ethyl-1H-imidazol-3-ium) bis(hexafluorophosphate), C18H24F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","545","547","10.1515/ncrs-2020-0639","","","0.71073","MoKα","","0.1291","0.0531","","","0.1114","0.1424","","","","","","0.974","","","","has coordinates,has disorder","273722","2022-03-16","08:58:37",""
"8104763","9.0005","0.0011","16.0386","0.0015","9.8434","0.0011","90","","114.861","0.014","90","","1289.3","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Zou, Ting-Guang; Guo, Si-Yu; Zhu, Jing-Lin; Wang, Sheng; Lin, Ling-Yin; Tao, Yi-Wen","The crystal structure of 5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one– rubrofusarin B, C16H14O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","549","550","10.1515/ncrs-2020-0645","","x-ray","0.71073","MoKα","","0.058","0.0458","","","0.1151","0.1245","","","","","","1.062","","","","has coordinates","273723","2022-03-16","09:23:13",""
"8104764","7.4412","0.0006","8.2273","0.0007","8.6693","0.0007","72.516","0.007","76.827","0.007","63.444","0.009","450.08","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Mn N4 O6 -","- C16 H22 Mn N4 O6 -","- C16 H22 Mn N4 O6 -","1","0.5","","Xi-Shi, Tai; Li-Li, Zhang; Li-Li, Liu; Shu-Hua, Cao; Li-Hua, Wang","The crystal structure of bis(ethanol-kO)- bis(6-aminopicolinato-k2 N,O)manganese(II), C16H22O6N4Mn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","551","552","10.1515/ncrs-2020-0644","","x-ray","0.71073","MoKα","","0.0454","0.0378","","","0.0707","0.0755","","","","","","1.024","","","","has coordinates","273724","2022-03-16","09:26:59",""
"8104765","17.7949","0.0019","9.3979","0.001","15.3455","0.0016","90","","90","","90","","2566.3","0.5","296","2","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","3,3'-((carbonylbis(azanediyl))bis(ethane-2,1-diyl))bis(1- methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate","","- C21 H28 B2 F8 N6 O2 -","- C21 H28 B2 F8 N6 O2 -","- C84 H112 B8 F32 N24 O8 -","4","0.5","","Dong, Zhi-Yun; Xi, Fu-Gui; Xu, Xing-Yu","The crystal structure of 3,3′-((carbonylbis(azanediyl))bis(ethane-2,1-diyl)) bis(1-methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate, C21H28N6O3B2F8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","553","555","10.1515/ncrs-2020-0646","","","0.71073","MoKα","","0.1014","0.0567","","","0.1515","0.1846","","","","","","1.028","","","","has coordinates","273725","2022-03-16","09:30:47",""
"8104766","10.3831","0.0007","17.0139","0.0012","12.2649","0.0009","90","","102.623","0.001","90","","2114.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N3 Ni O4 -","- C20 H24 Cl N3 Ni O4 -","- C80 H96 Cl4 N12 Ni4 O16 -","4","1","","Gu, Long; Pang, Haixia; Tang, Qiang; Min, Jie; Ma, Li; Pan, Peiran","Crystal structure of dimethanol-dichlorido-bis( μ 2-2-(((1,5-dimethyl-3-oxo-2- phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato- κ4 O:O,O′,N)dinickel (II), C20H24ClNiN3O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","557","559","10.1515/ncrs-2020-0637","","","0.71073","MoKα","","0.0407","0.0318","","","0.0939","0.1066","","","","","","1.095","","","","has coordinates,has disorder","273726","2022-03-16","09:33:39",""
"8104767","11.3688","0.0004","10.6836","0.0003","14.4518","0.0005","90","","112.532","0.001","90","","1621.32","0.09","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C56 H48 F24 N8 O16 -","8","2","","Yang, De-Zheng; Gao, Ting; Zhao, Chun-Shen; Chai, Hui-Fang","The crystal structure of methyl 5-(trifluoromethyl)-1H-pyrrole-2-carboxylate, C7H6F3NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","561","563","10.1515/ncrs-2020-0630","","","0.71073","MoKα","","0.0839","0.0554","","","0.1413","0.1647","","","","","","1.024","","","","has coordinates","273727","2022-03-16","09:37:13",""
"8104768","9.2591","0.0004","9.6573","0.0005","16.9256","0.0009","102.707","0.002","96.854","0.002","112.55","0.002","1328.2","0.12","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","aqua-<i>κO</i>-bis(<i>trans</i>-<i>η</i>^1^-trifluoroacetato-<i>κO</i>)-\ tris(3-bromopyridine-<i>κN</i>)-cadmium(II)","","- C19 H14 Br3 Cd F6 N3 O5 -","- C19 H14 Br3 Cd F6 N3 O5 -","- C38 H28 Br6 Cd2 F12 N6 O10 -","2","1","","Zhang, Lan; Wang, Lu; Ding, Wu-Xiu; Wang, Qiang; Chen, Meng-Juan","Crystal structure of (OC‐6‐13)‐aqua‐tris (3‐bromopyridine‐κ1 N)‐bis(trifluoroacetato‐κ1 O)cadmium(II) C19H14Br3CdF6N3O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","565","567","10.1515/ncrs-2020-0631","","","0.71073","MoKα","","0.0433","0.0291","","","0.0574","0.0625","","","","","","1.006","","","","has coordinates,has disorder","273728","2022-03-16","09:43:52",""
"8104769","8.5293","0.0008","11.5626","0.0011","14.2196","0.0013","88.888","0.001","74.988","0.001","87.556","0.001","1353.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","(E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","2","","Chun-Mei, Guo; Lu-Yao, Yi; Lei, Pan; Yuan, You; Xu-Liang, Nie","Crystal structure of methyl (E)-3-(4-(2-ethoxy-2-oxoethoxy)phenyl) acrylate, C14H16O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","569","571","10.1515/ncrs-2020-0634","","","0.71073","MoKα","","0.0583","0.043","","","0.1062","0.1202","","","","","","1.042","","","","has coordinates","273729","2022-03-16","09:46:49",""
"8104770","18.0207","0.0013","7.6885","0.0005","18.2326","0.0013","90","","90","","90","","2526.2","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","methyl 4-acetoxy-3,5-dimethoxybenzoate","","- C12 H14 O6 -","- C12 H14 O6 -","- C96 H112 O48 -","8","1","","Xiong, Chun-Lan; Lan, Ying-Dong; Song, Xiu-Ying; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of methyl 4-acetoxy-3,5-dimethoxybenzoate, C12H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","573","575","10.1515/ncrs-2020-0632","","","0.71073","MoKα","","0.0504","0.0411","","","0.1085","0.1214","","","","","","1.065","","","","has coordinates","273730","2022-03-16","09:50:53",""
"8104771","11.7584","0.0005","7.4336","0.0003","14.1134","0.0006","90","","104.861","0.002","90","","1192.35","0.09","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Br Cl N2 O -","- C13 H8 Br Cl N2 O -","- C52 H32 Br4 Cl4 N8 O4 -","4","1","","Li, Weili; Yang, Bo","The crystal structure of 2-(1H-benzimidazol-2-yl)-3-bromo-5-chlorophenol, C13H8BrClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","577","578","10.1515/ncrs-2020-0647","","","0.71073","MoKα","","0.0403","0.0301","","","0.0742","0.0794","","","","","","1.046","","","","has coordinates","273731","2022-03-16","09:53:57",""
"8104772","24.084","0.009","12.152","0.005","17.404","0.007","90","","109.984","0.004","90","","4787","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H45 Cl2 Cu3 N9 O6 -","- C47 H45 Cl2 Cu3 N9 O6 -","- C188 H180 Cl8 Cu12 N36 O24 -","4","0.5","","Liguo, Yang; Chaoyang, Zhang; Kai, Wang; Shengxian, Zhai; Nana, Liu","The crystal structure of bis(μ2-5-chloro-N-(2-methyl-1-oxidopropylidene)-2-oxidobenzohydrazonate-κ5 N,O,O′:N′,O′′)pentakis(pyridine-κ1 N)tricopper(II), C47H45Cl2N9Cu3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","579","581","10.1515/ncrs-2020-0601","","","0.71073","MoKα","","0.0595","0.0455","","","0.1161","0.1363","","","","","","1.115","","","","has coordinates","273732","2022-03-16","09:56:34",""
"8104773","12.7095","0.0003","17.4705","0.0004","8.5763","0.0003","90","","93.292","0.001","90","","1901.15","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cd N6 O7 -","- C14 H16 Cd N6 O7 -","- C56 H64 Cd4 N24 O28 -","4","1","","Meng, Cong-Cong; He, Jing-Xian; Gou, Hao","Synthesis and crystal structure of catena-poly[aqua-bis(nitrato-κ 2 O:O′)- (μ 2-((1 H-imidazol-1-yl)methyl)benzene-κ 2 N,N′)-H2O-κ 2O]cadmium(II), C14H16N6O7Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","583","585","10.1515/ncrs-2020-0619","","","0.71073","MoKα","","0.0322","0.0263","","","0.094","0.1047","","","","","","0.839","","","","has coordinates","273733","2022-03-16","09:59:23",""
"8104774","9.0892","0.0006","27.6631","0.0018","11.3409","0.0008","90","","106.409","0.002","90","","2735.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Fe2 O6 P S2 -","- C26 H21 Fe2 O6 P S2 -","- C104 H84 Fe8 O24 P4 S8 -","4","1","","Gao, Wei; Bai, Yan-Jie; Mao, Jia-Le; Guo, Xue-Quan","The crystal structure of pentakis(carbonyl)-{μ-[2,3-bis(sulfanyl)propan-1-olato]}-(triphenylphosphane)diiron (Fe–Fe)C26H21Fe2O6PS2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","587","589","10.1515/ncrs-2021-0003","","","0.71073","MoKα","","0.1081","0.067","","","0.1436","0.162","","","","","","1.075","","","","has coordinates,has disorder","273734","2022-03-16","10:02:52",""
"8104775","8.1998","0.0004","9.132","0.0004","10.7062","0.0006","106.183","0.005","111.506","0.005","97.589","0.004","691.27","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ethyl 2-(3-benzoylthioureido)propanoate","ethyl 2-methyl-4-thio-6-oxo-6-phenyl-3,5-diazahexanoate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C26 H32 N4 O6 S2 -","2","1","","Chong, Yan Yi; Mark-Lee, Wun Fui; Mohamed Tahir, Mohamed Ibrahim; Kassim, Mohammad B.","Crystal structure of ethyl-2-(3-benzoylthioureido)propanoate, C13H16N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","591","593","10.1515/ncrs-2020-0623","","","1.54178","CuKα","","0.0373","0.0346","","","0.0932","0.0957","","","","","","1.042","","","","has coordinates","273735","2022-03-16","10:05:57",""
"8104776","11.3744","0.0016","13.7367","0.0015","11.208","0.002","90","","118.51","0.02","90","","1538.9","0.5","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Dan, Yan Rong; Gan, Lin Ling; Yu, Yu","Crystal structure of 2-methoxy-4b,5,14,15-tetrahydro-6H-isoquinolino[2′,1′:1,6] pyrazino[2,3-b]quinoxaline, C19H18N4O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","595","597","10.1515/ncrs-2021-0008","","x-ray","0.71073","MoKα","","0.0623","0.0494","","","0.1223","0.1327","","","","","","1.03","","","","has coordinates","273736","2022-03-16","10:09:38",""
"8104777","6.8492","0.0014","11.515","0.002","10.018","0.002","90","","107.11","0.03","90","","755.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Li, Weili; Yang, Bo","Crystal structure of 2,2′-[ethane-1,2-diylbis(azanylylidenemethylylidene)]bis(6-chlorophenol), C16H14Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","599","600","10.1515/ncrs-2020-0642","","","0.71073","MoKα","","0.0877","0.0592","","","0.1225","0.1369","","","","","","1.127","","","","has coordinates","273777","2022-03-18","07:33:25",""
"8104778","13.674","0.003","7.39","0.0014","20.862","0.004","90","","106.728","0.007","90","","2018.9","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Zhang, Weilian; Zuo, Zhenyu; Yanhui, Chen; Bin, Liu","The crystal structure of (Z)-3-((2-(2-(2-aminophenoxy)ethoxy)phenyl)amino)-1-phenylbut-2-en-1-one, C24H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","601","603","10.1515/ncrs-2021-0022","","","0.71073","MoKα","","0.1313","0.0633","","","0.1538","0.1804","","","","","","0.942","","","","has coordinates","273778","2022-03-18","07:36:55",""
"8104779","29.0466","0.0011","5.2448","0.0003","14.4825","0.0007","90","","90","","90","","2206.32","0.19","100","0.1","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine","","- C28 H23 N3 O3 -","- C28 H23 N3 O3 -","- C112 H92 N12 O12 -","4","1","","Yang, Zhuqing; Hou, Meng","The crystal structure of 10-(3,5-di(pyridin-4-yl)phenyl)-10H-phenoxazine dihydrate, C28H23N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","605","607","10.1515/ncrs-2021-0001","","x-ray","1.54184","CuKα","","0.0583","0.0511","","","0.1252","0.1341","","","","","","1.074","","","","has coordinates","273779","2022-03-18","07:40:39",""
"8104780","7.34","0.001","7.34","0.001","18.285","0.004","90","","90","","90","","985.1","0.3","100","2","100","2","","","","","","","","5","P -4 c 2","P -4 -2c","116","","","","- C8 H8 N4 O3 Zn -","- C8 H8 N4 O3 Zn -","- C32 H32 N16 O12 Zn4 -","4","0.5","","Zheng, Huan; Feng, Sisi; Lu, Liping","Crystal structure of poly[dipoly[aqua-di(µ2-pyrazin-2-olato-κ2 N:N′) zinc(II)], C8H8N4O3Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","609","611","10.1515/ncrs-2021-0023","","","0.72","synchrotron","","0.0425","0.0404","","","0.1189","0.1214","","","","","","1.052","","","","has coordinates","273780","2022-03-18","07:44:20",""
"8104781","15.803","0.0007","7.6794","0.0003","7.097","0.0003","90","","110.846","0.0017","90","","804.89","0.06","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","<i>catena</i>-[tetra(μ~2~-cyanido)-bis(<i>N,N</i>-dimethylformamide- κ-<i>O</i>)-manganese(II)-platinum(II)]","","- C10 H14 Mn N6 O2 Pt -","- C10 H14 Mn N6 O2 Pt -","- C20 H28 Mn2 N12 O4 Pt2 -","2","0.25","","Ha, Kwang","Crystal structure of poly[tetra(μ 2-cyanido-κ2 N:O)-bis(N,N-dimethylformamide-κO)-manganese(II)-platinum(II)], C10H14MnN6O2Pt","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","613","614","10.1515/ncrs-2021-0028","","","0.71073","MoKα","","0.0108","0.0108","","","0.0266","0.0266","","","","","","1.099","","","","has coordinates","273781","2022-03-18","07:48:07",""
"8104782","12.3098","0.0005","13.1697","0.0005","12.4555","0.0006","90","","117.159","0.001","90","","1796.61","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl5 Mn N2 O3 -","- C16 H12 Cl5 Mn N2 O3 -","- C64 H48 Cl20 Mn4 N8 O12 -","4","1","","Liu, Dian; Yu, Guojun","The crystal structure of aqua-chlorido-6,6′-((ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))bis(2,4-dichlorophenolato-κ4 N,N′,O,O′)manganese(III), C16H12Cl5MnN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","615","617","10.1515/ncrs-2021-0016","","","0.71073","MoKα","","0.0919","0.0591","","","0.1165","0.1315","","","","","","1.139","","","","has coordinates","273782","2022-03-18","08:06:50",""
"8104783","10.5707","0.0003","18.5331","0.0005","12.0293","0.0003","90","","114.628","0.001","90","","2142.26","0.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[di(μ~2~-cyanido)-dicyanido-bis(dimethyl sulfoxide-κ-<i>O</i>)- bis(2,2'-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato)- dimanganese(III)-platinum(II)]","","- C40 H40 Mn2 N8 O6 Pt S2 -","- C40 H40 Mn2 N8 O6 Pt S2 -","- C80 H80 Mn4 N16 O12 Pt2 S4 -","2","0.5","","Ha, Kwang","Crystal structure of [di(µ2-cyanido)-dicyanido-bis(dimethyl sulfoxide-κO)- bis(2,2′-(ethane-1,2-diylbis(azanylylidenemethanylylidene))diphenolato-κ4,N,N′,O,O′)- dimanganese(III)-platinum(II)], C40H40Mn2N8O6PtS2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","619","621","10.1515/ncrs-2021-0026","","","0.71073","MoKα","","0.017","0.0148","","","0.0361","0.038","","","","","","1.071","","","","has coordinates,has disorder","273783","2022-03-18","08:10:02",""
"8104784","8.0106","0.0004","14.5925","0.0007","21.0425","0.0011","90","","100.33","0.002","90","","2419.9","0.2","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Br2 Mn N5 O4 -","- C22 H26 Br2 Mn N5 O4 -","- C88 H104 Br8 Mn4 N20 O16 -","4","1","","Liu, Dian; Ma, Xun","The crystal structure of (azido)-κ1 N-6,6′-((cyclohexane-1,2-diylbis(azanylylidene)) bis(methanylylidene))bis(3-bromophenolato- κ 4 N,N,O,O)-(methanol)-manganese(III)–methanol(1/1), C 22 H 26 Br 2 MnN 5 O 4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","623","625","10.1515/ncrs-2021-0014","","","0.71073","MoKα","","0.0576","0.0372","","","0.0713","0.0766","","","","","","1.031","","","","has coordinates","273784","2022-03-18","08:12:39",""
"8104785","9.5271","0.0019","16.936","0.003","12.012","0.002","90","","105.06","0.03","90","","1871.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-chloro-N-(4-iodinebenzyl)-1,2,3,4- tetrahydroacridin-9-amine","","- C20 H18 Cl I N2 -","- C20 H18 Cl I N2 -","- C80 H72 Cl4 I4 N8 -","4","1","","Juan, Luo; Jia, Gu; Jie, Wang; Li-Hui, Liu; Da-Yong, Peng","Crystal structure of 7-chloro-N-(4-iodobenzyl)-1,2,3,4-tetrahydroacridin-9-amine, C20H18ClIN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","627","629","10.1515/ncrs-2021-0021","","","0.71073","MoKα","","0.0488","0.0436","","","0.1272","0.1396","","","","","","1.081","","","","has coordinates","273785","2022-03-18","08:15:38",""
"8104786","12.033","0.0008","12.0959","0.0008","15.9551","0.0012","85.768","0.003","71.917","0.003","87.899","0.003","2201.3","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-[(1,4,8,11-Tetraazacyclotetradecane-κ^4^<i>N,N',N'',N'''</i>)- bis(μ~2~-thiocyanato-<i>S,N</i>)-bis(thiocyanato-κ<i>S</i>)-nickel(II)- palladium(II)]","","- C14 H24 N8 Ni Pd S4 -","- C14 H24 N8 Ni Pd S4 -","- C56 H96 N32 Ni4 Pd4 S16 -","4","2","","Ha, Kwang","Crystal structure of catena-poly[(1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N″,N′′′)-bis(μ 2-thiocyanato-κ2 N:S)-bis(thiocyanato-κS)-nickel(II)palladium(II)], C14H24N8NiPdS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","631","633","10.1515/ncrs-2021-0025","","","0.71073","MoKα","","0.0446","0.0379","","","0.0905","0.0973","","","","","","1.049","","","","has coordinates","273786","2022-03-18","08:18:12",""
"8104787","27.228","0.005","11.38","0.002","9.3775","0.0016","90","","95.733","0.002","90","","2891.1","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-chloro-4-(4-ethylpiperazin-1-yl)aniline","","- C12 H20 Cl N3 O -","- C12 H20 Cl N3 O -","- C96 H160 Cl8 N24 O8 -","8","1","","Gu, Jia; Chen, Jin-Zhu; Nie, Xu-Liang; Huang, Guo-Ping; Huang, Jian-Ping","Crystal structure of 3-chloro-4-(4-ethylpiperazin-1-yl)aniline monohydrate, C12H20ClN3O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","635","637","10.1515/ncrs-2021-0024","","","0.71073","MoKα","","0.0483","0.0372","","","0.0959","0.1058","","","","","","1.036","","","","has coordinates","273787","2022-03-18","08:21:30",""
"8104788","13.4752","0.0004","12.8563","0.0003","15.0144","0.0005","90","","113.429","0.004","90","","2386.66","0.14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Co0.5 N2 O5 -","- C10 H15 Co0.5 N2 O5 -","- C80 H120 Co4 N16 O40 -","8","1","","Sun, Xiao-Tian","Crystal structure of the 2D coordination polymer poly[diaqua-bis(μ2-3- methoxyisonicotinato-κ2 N:O)cobalt(II)] — dimethylformamide (1/1), C20H30CoN4O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","639","641","10.1515/ncrs-2021-0010","","x-ray","0.71073","MoKα","","0.0323","0.0291","","","0.0703","0.0719","","","","","","1.072","","","","has coordinates","273788","2022-03-18","08:24:35",""
"8104789","7.875","0.004","13.165","0.006","13.295","0.006","97.199","0.008","93.065","0.009","95.187","0.008","1359","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H13 Cl N4 O S -","- C12 H13 Cl N4 O S -","- C48 H52 Cl4 N16 O4 S4 -","4","2","","Niu, Mengyuan; Yuan, Caixia","Crystal structure of 4-[(5-chloro-2-hydroxybenzylidene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione, C12H13ClN4OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","643","645","10.1515/ncrs-2021-0020","","","0.71073","MoKα","","0.1302","0.0638","","","0.1567","0.2097","","","","","","0.991","","","","has coordinates","273789","2022-03-18","08:27:29",""
"8104790","15.3543","0.0017","14.7958","0.0017","25.496","0.003","90","","90","","90","","5792.2","1.1","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H36 N2 O4 -","- C33 H36 N2 O4 -","- C264 H288 N16 O32 -","8","1","","Xu, Qin-Juan","Crystal structure of N-(5-(2-(benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-hydroxyethyl)-2-(benzyloxy)phenyl)formamide, C33H36N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","647","649","10.1515/ncrs-2021-0012","","","0.71073","MoKα","","0.0745","0.049","","","0.1219","0.1402","","","","","","1.027","","","","has coordinates","273790","2022-03-18","08:29:57",""
"8104791","5.6537","0.0006","7.7954","0.0008","10.6841","0.0009","102.238","0.008","95.381","0.008","90.94","0.009","457.83","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","(1R,2R,3S,4R)-3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C9H12O5, C~9~H~12~O~5~","","- C9 H12 O5 -","- C9 H12 O5 -","- C18 H24 O10 -","2","1","","Hou, Xuehui; Wang, Qinglong; Wang, Jianling; Li, Aiqin; Ding, Degang; Lv, Quanjian","Crystal structure of 3-(methoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, C9H12O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","651","652","10.1515/ncrs-2021-0027","","x-ray","1.54184","CuKα","","0.0823","0.0673","","","0.2187","0.2279","","","","","","1.081","","","","has coordinates","273791","2022-03-18","08:39:35",""
"8104792","9.5079","0.0019","18.423","0.004","19.018","0.004","90","","90","","90","","3331.3","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","2","","Zhu, Chao; Wang, Wenxiang","The crystal structure of 1-((dimethylamino)(3-nitrophenyl)methyl)naphthalen-2-ol, C19H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","653","655","10.1515/ncrs-2021-0030","","","0.71073","MoKα","","0.1009","0.0555","","","0.1096","0.1275","","","","","","1.132","","","","has coordinates","273792","2022-03-18","08:42:27",""
"8104793","7.5234","0.0002","9.2143","0.0002","9.4188","0.0002","68.9266","0.0007","76.5614","0.0008","85.8639","0.0008","592.54","0.02","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-[di(μ~2~-cyanido)-dicyanido-tetrakis(dimethyl sulfoxide-κ-<i>O</i>)-manganese(II)-platinum(II)]","","- C12 H24 Mn N4 O4 Pt S4 -","- C12 H24 Mn N4 O4 Pt S4 -","- C12 H24 Mn N4 O4 Pt S4 -","1","0.5","","Ha, Kwang","Crystal structure of catena-poly[di(μ 2-cyanido-κ2 C:N)-dicyanido-tetrakis(dimethyl sulfoxide-κO)-manganese(II)-platinum(II)], C12H24MnN4O4PtS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","657","658","10.1515/ncrs-2021-0029","","","0.71073","MoKα","","0.0175","0.0175","","","0.0409","0.0409","","","","","","1.113","","","","has coordinates","273793","2022-03-18","08:45:40",""
"8104794","9.0271","0.0006","10.6578","0.0008","16.3584","0.0011","90.083","0.006","92.278","0.006","103.085","0.006","1531.66","0.19","110.9","0.3","110.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 N4 O4 S -","- C14 H18 N4 O4 S -","- C56 H72 N16 O16 S4 -","4","2","","Wang, Ruonan; Heng, Tianyu; Yang, Dezhi; Zhang, Li; Lu, Yang","Crystal structure of 4-amino-N-(2-pyrimidinyl)benzenesulfonamide–1,4-dioxane (1/1), C14H18N4O4S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","659","661","10.1515/ncrs-2021-0032","","","1.54184","CuKα","","0.0479","0.0419","","","0.1138","0.1175","","","","","","1.016","","","","has coordinates","273794","2022-03-18","08:59:28",""
"8104795","8.2034","0.0004","12.7859","0.0007","13.5026","0.0007","66.069","0.005","79.964","0.004","84.465","0.004","1274.18","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 Hg N10 -","- C22 H22 Cl2 Hg N10 -","- C44 H44 Cl4 Hg2 N20 -","2","1","","Yang, Hai-Yan; Zhao, Yao-Min; Li, Hui; Wang, Hong-Fang; Li, Ying-Hua; He, Fang","Crystal structure of bis{1-[(benzotriazol-1-yl)methyl]-1H-1,3-(2-methyl-imidazol)}di-chloridomercury(II), [Hg(C11H11N5)2Cl2], C22H22N10Cl2Hg","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","663","665","10.1515/ncrs-2021-0037","","","0.71073","MoKα","","0.05","0.0372","","","0.0621","0.067","","","","","","1.029","","","","has coordinates","273795","2022-03-18","09:03:41",""
"8104796","15.8641","0.0006","11.123","0.0004","13.0925","0.0005","90","","90","","90","","2310.26","0.15","301","2","301","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C23 H25 N O9 -","- C23 H25 N O9 -","- C92 H100 N4 O36 -","4","1","","Zhang, Xianping; Feng, Sisi; Lu, Liping","Crystal structure of 2, 3-bis((4-methylbenzoyl)oxy) succinic acid–N, N-dimethylformamide (1/1), C23H25NO9","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","667","669","10.1515/ncrs-2021-0015","","","0.71073","MoKα","","0.0484","0.0372","","","0.0822","0.0883","","","","","","1.068","","","","has coordinates","273796","2022-03-18","09:12:15",""
"8104797","29.686","0.003","6.2315","0.0004","21.0994","0.0015","90","","114.727","0.008","90","","3545.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H28 Co N4 O10 -","- C40 H28 Co N4 O10 -","- C160 H112 Co4 N16 O40 -","4","0.5","","Xia, Yi-Fan; Peng, Xiong-Xin; Zhong, Yu-Fei; Xiao, Wei; Hu, Chun-Yan; Yuan, Hou-Qun","Crystal structure of catena-poly[bis(4-(4-carboxyphenoxy)benzoato-κ 1 O)-μ 2-(1,4-bis(1-imidazolyl)benzene-κ 2 N:N′)cobalt(II)], C40H28N4O10Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","671","673","10.1515/ncrs-2021-0033","","","0.71073","MoKα","","0.0477","0.0386","","","0.0839","0.0897","","","","","","1.049","","","","has coordinates","273797","2022-03-18","09:21:46",""
"8104798","8.0945","0.0002","15.7091","0.0005","20.6169","0.0006","90","","96.807","0.002","90","","2603.11","0.13","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N3 O8 Sr -","- C8 H13 N3 O8 Sr -","- C64 H104 N24 O64 Sr8 -","8","1","","Dridi, Rawiya; Bouhali, Amira; Boudaren, Chaouki; Bouraiou, Abdelmalek; Merazig, Hocine","Crystal structure of 1H-imidazol-3-ium poly[aqua-(μ4-glutarato-κ6 O,O′:O′:O′′,O′′′:O′′′)-(nitrato-κ2 O,O′)strontium(II)], C8H13N3O8Sr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","675","677","10.1515/ncrs-2020-0638","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0486","0.0494","","","","","","1.087","","","","has coordinates","273798","2022-03-18","09:50:25",""
"8104799","7.7862","0.0005","9.0728","0.0006","25.3797","0.0016","90","","90","","90","","1792.9","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N S Si -","- C23 H17 N S Si -","- C92 H68 N4 S4 Si4 -","4","1","","Kong, Yuan-Fang; Mu, De-Long","Crystal structure of (R)-6-(benzo[b]thiophen-5-yl)-2-methyl-2,6-dihydrobenzo [5,6] silino[4,3,2-cd]indole, C23H17NSSi","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","679","681","10.1515/ncrs-2021-0039","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0769","0.0778","","","","","","1.065","","","","has coordinates","273799","2022-03-18","09:54:26",""
"8104800","9.6685","0.0004","10.4511","0.0004","11.284","0.0005","100.763","0.002","114.948","0.002","96.816","0.002","990.36","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cd N5 O2 S2 -","- C15 H17 Cd N5 O2 S2 -","- C30 H34 Cd2 N10 O4 S4 -","2","1","","Xu, Qin-Juan","Crystal structure of catena-poly[bis(μ 2-thiocyanato-κ2 N:S)-(2-(5-methyl-1H-pyrazol-3-yl)pyridine-κ2 N,N′)cadmium(II)]–dioxane (1/1), C15H17CdN5O2S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","683","684","10.1515/ncrs-2021-0019","","","0.71073","MoKα","","0.044","0.0316","","","0.0949","0.1169","","","","","","1.112","","","","has coordinates","273800","2022-03-18","09:59:24",""
"8104801","11.72","0.002","14","0.003","16.971","0.003","90","","90","","90","","2784.6","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H24 Cd N2 O8 -","- C30 H24 Cd N2 O8 -","- C120 H96 Cd4 N8 O32 -","4","0.5","","Yang, Bin; Wang, Ai; Wang, Yan","Crystal structure of poly[aqua-(μ2-1,4-bis(2′-carboxylatophenoxy)benzene-κ2 O:O′)-(μ2-4,4′-bipyridione-κ2 N:N′)cadmium(II)] monhydrate, C30H22CdN2O7⋅H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","685","687","10.1515/ncrs-2021-0036","","","0.71073","MoKα","","0.0701","0.0544","","","0.1506","0.1664","","","","","","1.074","","","","has coordinates","273801","2022-03-18","10:02:43",""
"8104802","9.9506","0.0008","10.1867","0.0011","11.2774","0.0011","110.528","0.009","93.83","0.007","107.307","0.008","1003.17","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N O7 -","- C20 H20 Cd N O7 -","- C40 H40 Cd2 N2 O14 -","2","1","","Chen, Shi-Jun; Cao, Xin; Ma, Xin-Dong; Xi, Zhong-Chen; Li, Shi-Hui","Crystal structure of catena-poly[tetraaqua-(μ2-4,4′-bipyridine-k2 N:N′)-bis(μ2-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-k4 O,O′:O″,O′″)dicadmium(II)] dihydrate, C20H20NO7Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","689","691","10.1515/ncrs-2021-0041","","x-ray","0.71073","MoKα","","0.0964","0.0775","","","0.1874","0.2051","","","","","","1.072","","","","has coordinates","273802","2022-03-18","10:06:11",""
"8104803","11.0576","0.0003","11.8406","0.0003","18.0061","0.0005","90","","90","","90","","2357.51","0.11","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O S -","- C24 H34 N2 O S -","- C96 H136 N8 O4 S4 -","4","1","","Zhao, Benbo; Fu, Kai; Xun, Miao-Miao; Yuan, Changchun","Crystal structure of 1‐tert‐butyl‐3‐(2,6‐diisopropyl‐4‐phenoxyphenyl)‐2-methylisothiourea, C24H34N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","693","695","10.1515/ncrs-2021-0040","","","0.71073","MoKα","","0.0415","0.0334","","","0.0725","0.078","","","","","","1.06","","","","has coordinates","273803","2022-03-18","10:09:37",""
"8104804","14.8071","0.0017","19.676","0.002","10.858","0.0013","90","","104.202","0.002","90","","3066.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Co N8 O8 -","- C28 H34 Co N8 O8 -","- C112 H136 Co4 N32 O32 -","4","1","","Qiu, Ying; Zhao, Juan; Liu, Mei-Ling; Ge, Hong-Guang; Ji, Xiao-Hui; Wang, Qin; Jin, Ling-xia; Lu, Jiu-Fu","Crystal structure of catena-poly[triaqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ1O)cobalt(II)] — N,N′-dimethylformamide (1/1), C28H34N8O8Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","697","699","10.1515/ncrs-2021-0034","","","0.71073","MoKα","","0.0507","0.0377","","","0.1114","0.1228","","","","","","1.053","","","","has coordinates","273804","2022-03-18","10:13:11",""
"8104805","14.258","0.003","7.1056","0.0013","17.589","0.003","90","","113.672","0.003","90","","1632","0.5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H32 Mn N8 O10 -","- C32 H32 Mn N8 O10 -","- C64 H64 Mn2 N16 O20 -","2","0.5","","Zhou, Jingjing; Xu, Wei; He, Luxiang; Xiao, Hongping","Crystal structure of tetraaqua-bis(1,4-di(1H-imidazol-1-yl)benzene-κ1 N)manganese(II) 2,3-dihydroxyterephthalate, C32H32MnN8O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","701","703","10.1515/ncrs-2021-0042","","","0.71073","MoKα","","0.0374","0.0314","","","0.0976","0.1019","","","","","","1.088","","","","has coordinates","273805","2022-03-18","10:17:10",""
"8104806","4.8274","0.0004","8.0556","0.0007","12.0648","0.001","71.237","0.004","78.739","0.004","72.95","0.004","422.06","0.06","190","2","190","2","","","","","","","","5","P -1","-P 1","2","4-hydroxy-<i>meta</i>-phenylenediamine dihydrochloride","4-hydroxy-<i>meta</i>-phenylenediamine dihydrochloride","","- C6 H10 Cl2 N2 O -","- C6 H10 Cl2 N2 O -","- C12 H20 Cl4 N4 O2 -","2","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-hydroxybenzene-1,3-diaminium dichloride, C6H10Cl2N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","281","283","10.1515/ncrs-2020-0532","","","0.71073","MoKα","","0.0238","0.0225","","","0.0606","0.0614","","","","","","1.085","","","","has coordinates","273806","2022-03-18","10:23:12",""
"8104807","8.7694","0.0005","9.6963","0.0006","14.8577","0.0009","90","","98.266","0.003","90","","1250.24","0.13","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","3-chloropropylammonium chloride","3-chloropropylammonium chloride","","- C3 H9 Cl2 N -","- C3 H9 Cl2 N -","- C24 H72 Cl16 N8 -","8","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 3-chloropropylammonium chloride, C3H9Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","285","286","10.1515/ncrs-2020-0527","","","0.71073","MoKα","","0.0205","0.0193","","","0.0501","0.0511","","","","","","1.072","","","","has coordinates","273807","2022-03-18","10:28:38",""
"8104808","13.2374","0.0012","8.2108","0.0006","14.0114","0.0014","90","","93.294","0.008","90","","1520.4","0.2","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","1-chloro-2-(dimethylamino)ethane hydrochloride","1-chloro-2-(dimethylamino)ethane hydrochloride","","- C4 H11 Cl2 N -","- C4 H11 Cl2 N -","- C32 H88 Cl16 N8 -","8","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 1-chloro-2-(dimethylamino)ethane hydrochloride, C4H11Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","287","289","10.1515/ncrs-2020-0520","","","0.71073","MoKα","","0.0476","0.0398","","","0.1099","0.1174","","","","","","1.075","","","","has coordinates,has disorder","273809","2022-03-18","10:33:13",""
"8104809","4.7889","0.0004","11.7867","0.001","12.5323","0.0011","100.762","0.005","100.232","0.004","100.683","0.004","666.19","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","<i>ortho</i>-trifluoromethyl-hexylanilide","<i>ortho</i>-trifluoromethyl-hexylanilide","","- C13 H16 F3 N O -","- C13 H16 F3 N O -","- C26 H32 F6 N2 O2 -","2","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N-(2-(trifluoromethyl)phenyl)hexanamide, C13H16F3NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","291","292","10.1515/ncrs-2020-0530","","","0.71073","MoKα","","0.082","0.0531","","","0.1561","0.176","","","","","","1.054","","","","has coordinates","273810","2022-03-18","10:36:29",""
"8104810","8.9239","0.0005","5.955","0.0003","23.1168","0.0011","90","","90","","90","","1228.47","0.11","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","<i>para</i>-toluidine","<i>para</i>-methylaniline","","- C7 H9 N -","- C7 H9 N -","- C56 H72 N8 -","8","2","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of para-toluidine, C7H9N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","293","295","10.1515/ncrs-2020-0525","","","0.71073","MoKα","","0.0386","0.0367","","","0.1002","0.1019","","","","","","1.083","","","","has coordinates","273811","2022-03-18","10:44:52",""
"8104811","11.1646","0.0007","6.3264","0.0004","18.6926","0.0009","90","","97.5994","0.0018","90","","1308.69","0.13","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate","bis(2-methyl-2-ammonium-propane-1,3-diole) carbonate","","- C9 H24 N2 O7 -","- C9 H24 N2 O7 -","- C36 H96 N8 O28 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of bis(1,3-dihydroxy-2-methylpropan-2-aminium) carbonate, C9H24N2O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","297","299","10.1515/ncrs-2020-0521","","","0.71073","MoKα","","0.0582","0.0385","","","0.0962","0.1057","","","","","","1.033","","","","has coordinates,has disorder","273859","2022-03-21","08:36:44",""
"8104812","6.0087","0.0003","10.1176","0.0006","14.3532","0.0007","90","","90","","90","","872.58","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-chloro-1-methylpiperidine hydrochloride","4-chloro-1-methylpiperidine hydrochloride","","- C6 H13 Cl2 N -","- C6 H13 Cl2 N -","- C24 H52 Cl8 N4 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","301","303","10.1515/ncrs-2020-0522","","","0.71073","MoKα","","0.0402","0.0304","","","0.0603","0.0632","","","","","","1.035","","","","has coordinates","273860","2022-03-21","08:40:52",""
"8104813","9.914","0.003","10.141","0.003","10.179","0.003","90.177","0.005","112.202","0.005","95.167","0.005","942.9","0.5","296","2","296","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Br N O -","- C23 H16 Br N O -","- C46 H32 Br2 N2 O2 -","2","1","","Pan, Fei; Wei, Xian; Lv, Menglan Lan","Crystal structure of (Z)-3-(6-bromo-1H-indol-3-yl)-1,3-diphenylprop-2-en-1-one, C23H16BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","305","306","10.1515/ncrs-2020-0533","","","0.71073","MoKα","","0.0797","0.052","","","0.1267","0.1351","","","","","","1.071","","","","has coordinates","273861","2022-03-21","08:47:49",""
"8104814","8.6363","0.0011","9.9144","0.0011","11.8734","0.0015","81.891","0.004","72.889","0.004","80.972","0.003","954.7","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 F2 N O4 -","- C20 H21 F2 N O4 -","- C40 H42 F4 N2 O8 -","2","1","","Shin, Soon Young; Yoo, Miri; Koh, Dongsoo","The crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, C20H21F2NO4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","307","309","10.1515/ncrs-2020-0566","","","0.71073","MoKα","","0.0703","0.0466","","","0.1134","0.1339","","","","","","1.033","","","","has coordinates","273862","2022-03-21","08:50:44",""
"8104815","10.6239","0.0007","10.8034","0.0009","28.959","0.003","90","","99.611","0.002","90","","3277.1","0.5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H32 Br4 N4 O4 -","- C34 H32 Br4 N4 O4 -","- C136 H128 Br16 N16 O16 -","4","1","","Jiao, Liang; Tian, Hui; Wang, Man; Li, Tianyu; Wu, Qiong","Crystal structure of 6,6'‐((1E,1'E)‐(propane‐1,3‐diylbis(azaneylylidene))bis(methaneylylidene))bis(3‐bromophenol), C34H32Br4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","311","313","10.1515/ncrs-2020-0547","","","0.71073","MoKα","","0.0492","0.0391","","","0.0878","0.0922","","","","","","1.037","","","","has coordinates","273863","2022-03-21","08:55:37",""
"8104816","7.2155","0.0008","10.7519","0.0008","10.8562","0.0008","107.91","0.007","97.087","0.008","100.409","0.007","773.68","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O6 -","- C15 H17 N3 O6 -","- C30 H34 N6 O12 -","2","1","","Xi-Shi, Tai; Zhen, Ren; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang","The crystal structure of (E)-2-(2-((2-picolinoylhydrazono)methyl)phenoxy)acetic acid dihydrate, C15H17N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","315","316","10.1515/ncrs-2020-0534","","x-ray","0.71073","MoKα","","0.0783","0.05","","","0.1048","0.1238","","","","","","1.019","","","","has coordinates","273864","2022-03-21","08:58:48",""
"8104817","32.4137","0.0012","4.6683","0.0002","8.8873","0.0003","90","","90","","90","","1344.8","0.09","150","2","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H10 Br Cl N2 O2 -","- C14 H10 Br Cl N2 O2 -","- C56 H40 Br4 Cl4 N8 O8 -","4","1","","Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong","Crystal structure of (E)-4-bromo-N′-(3-chloro-2-hydroxybenzylidene)benzohydrazide, C14H10BrClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","317","318","10.1515/ncrs-2020-0539","","","0.71073","MoKα","","0.0277","0.0239","","","0.0594","0.0611","","","","","","1.039","","","","has coordinates","273865","2022-03-21","09:07:36",""
"8104818","16.3126","0.0005","6.9654","0.0002","29.3","0.001","90","","92.726","0.001","90","","3325.41","0.18","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br4 N4 O4 -","- C34 H32 Br4 N4 O4 -","- C136 H128 Br16 N16 O16 -","4","1","","Li, Tianyu; Xu, Xindi; Wang, Man; Wang, Xia; Wu, Qiong","Crystal structure of N,N′-bis(4-bromosalicylidene) ethylene-1,2-diaminopropan, C34H32Br4N4O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","319","321","10.1515/ncrs-2020-0546","","","0.71073","MoKα","","0.0615","0.0349","","","0.0701","0.0799","","","","","","1.053","","","","has coordinates","273866","2022-03-21","09:12:45",""
"8104819","7.2748","0.0003","9.0786","0.0004","12.8613","0.0005","99.458","0.002","100.401","0.002","99.499","0.002","807.35","0.06","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br2 N2 O3 -","- C15 H14 Br2 N2 O3 -","- C30 H28 Br4 N4 O6 -","2","1","","Xu, Xindi; Ma, Xun; Huang, Meifen; Li, Tianyu; Wu, Qiong","Crystal structure of 4-bromo-N′-[(3-bromo-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H14Br2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","323","324","10.1515/ncrs-2020-0540","","","0.71073","MoKα","","0.0347","0.0253","","","0.0639","0.0673","","","","","","1.049","","","","has coordinates","273867","2022-03-21","09:16:05",""
"8104820","9.1258","0.0004","10.6225","0.0005","30.187","0.0014","90","","90","","90","","2926.3","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis(2-benzimidazyl)-1,2,-dihydroxyethane 3-(2-benzimidazyl)-2,3-dihydroxy-propane-<i>ortho</i>-amino-anilide co-crystallizate","1,2-bis(2-benzimidazyl)-1,2,-dihydroxyethane 3-(2-benzimidazyl)-2,3-dihydroxy-propane-<i>ortho</i>-amino-anilide co-crystallizate","","- C32 H30 N8 O5 -","- C32 H30 N8 O5 -","- C128 H120 N32 O20 -","4","1","","Clark, Candyce R.; Hosten, Eric C.; Betz, Richard","The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","325","327","10.1515/ncrs-2020-0529","","","0.71073","MoKα","","0.049","0.0367","","","0.0791","0.0837","","","","","","1.032","","","","has coordinates","273868","2022-03-21","09:22:48",""
"8104821","17.7552","0.0012","10.7574","0.0009","8.0207","0.0007","90","","90","","90","","1532","0.2","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","<i>para</i>-trifluoromethyl-aniline hemihydrate","<i>para</i>-trifluoromethyl-aniline hemihydrate","","- C14 H14 F6 N2 O -","- C14 H14 F6 N2 O -","- C56 H56 F24 N8 O4 -","4","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of para-trifluoromethyl-aniline hemihydrate, C14H14F6N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","329","331","10.1515/ncrs-2020-0512","","","0.71073","MoKα","","0.0688","0.0415","","","0.0997","0.1154","","","","","","1.016","","","","has coordinates,has disorder","273869","2022-03-21","09:49:41",""
"8104822","6.0864","0.0004","10.9696","0.0008","8.5928","0.0005","90","","93.36","0.003","90","","572.72","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-amino-2-methyl-propane-1,3-diole","2-amino-2-methyl-propane-1,3-diole","","- C4 H11 N O2 -","- C4 H11 N O2 -","- C16 H44 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 2-amino-2-methyl-propane-1,3-diole, C4H11NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","333","334","10.1515/ncrs-2020-0514","","","0.71073","MoKα","","0.0335","0.0307","","","0.0853","0.0891","","","","","","1.039","","","","has coordinates","273885","2022-03-22","08:58:20",""
"8104823","6.811","0.0005","8.8779","0.0007","17.2774","0.0016","90","","97.582","0.004","90","","1035.59","0.15","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","methacholine chloride","2-acetyl-1-(trimethylamino)propane chloride","","- C8 H18 Cl N O2 -","- C8 H18 Cl N O2 -","- C32 H72 Cl4 N4 O8 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of methacholine chloride, C8H18ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","335","337","10.1515/ncrs-2020-0526","","","0.71073","MoKα","","0.0726","0.0484","","","0.0842","0.0922","","","","","","1.063","","","","has coordinates","273886","2022-03-22","09:01:27",""
"8104824","12.7072","0.0005","11.2947","0.0006","17.7857","0.0007","90","","95.807","0.001","90","","2539.6","0.2","170","2","170","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","","Tian, Kaixin; Wang, Yanhong; Xun, Miaomiao; Yuan, Changchun; Fu, Kai","Crystal structure of 5,7,7-trimethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one, C15H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","339","340","10.1515/ncrs-2020-0598","","","0.71073","MoKα","","0.0877","0.0606","","","0.1563","0.1759","","","","","","1.045","","","","has coordinates","273887","2022-03-22","09:05:34",""
"8104825","7.3758","0.0003","8.7361","0.0004","9.2906","0.0004","112.877","0.004","90.054","0.004","102.568","0.004","535.9","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H8 Ag2 N3 O4 S -","- C7 H8 Ag2 N3 O4 S -","- C14 H16 Ag4 N6 O8 S2 -","2","1","","Zhao, Han-Lin; Jiang, Jin-Ke; Chu, Yu-Tong; Li, Gang-Mei; Li, Xi-Xi; Jin, Xin","Crystal structure of poly[diammine-bis(μ4-4-hydroxypyridine-3-sulfonato-κ5 N:O, O′:O′′:O′′)(μ2-pyrazinyl-κ2 N:N′)tetrasilver(I)], C7H8Ag2N3O4S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","341","342","10.1515/ncrs-2020-0537","","","0.71073","MoKα","","0.0319","0.0235","","","0.0571","0.06","","","","","","1.072","","","","has coordinates","273888","2022-03-22","09:09:55",""
"8104826","11.3541","0.0016","12.1833","0.0017","14.409","0.002","68.24","0.002","76.613","0.003","88.873","0.003","1796","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H45 N5 O5 -","- C38 H45 N5 O5 -","- C76 H90 N10 O10 -","2","1","","Gao, Xiao-Li; Jia, Shu-Shu; Su, Rui","Crystal structure of ethyl (E)-5-(((3′,6′-bis(ethylamino)-3-oxospiro[isoindoline-1,9′-xanthen]-2-yl)imino)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate — ethanol (1/1), C38H45N5O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","343","345","10.1515/ncrs-2020-0589","","","0.71073","MoKα","","0.123","0.062","","","0.1609","0.2023","","","","","","1.006","","","","has coordinates,has disorder","273889","2022-03-22","09:12:45",""
"8104827","4.8308","0.0002","6.1438","0.0002","23.0836","0.0009","90","","91.0784","0.0014","90","","684.99","0.04","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br2 N2 O2 -","- C14 H7 Br2 N2 O2 -","- C28 H14 Br4 N4 O4 -","2","0.5","","Xu, Xindi; Tian, Hui; Wang, Xia; Wang, Man; Wu, Qiong","Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","347","348","10.1515/ncrs-2020-0586","","","0.71073","MoKα","","0.0528","0.0477","","","0.1087","0.1108","","","","","","1.206","","","","has coordinates","273890","2022-03-22","09:16:28",""
"8104828","9.8213","0.0006","9.9212","0.0006","10.04","0.0006","65.51","0.002","63.539","0.002","84.842","0.002","791.59","0.09","200","2","200","2","","","","","","","","3","P -1","-P 1","2","3,3,3-triphenylpropionic acid","3,3,3-triphenylpropionic acid","","- C21 H18 O2 -","- C21 H18 O2 -","- C42 H36 O4 -","2","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of 3,3,3-triphenylpropanoic acid, C21H18O2 – Deposition of hydrogen atomic coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","349","351","10.1515/ncrs-2020-0570","","","0.71073","MoKα","","0.0658","0.0463","","","0.0981","0.1101","","","","","","1.058","","","","has coordinates","273891","2022-03-22","09:24:57",""
"8104829","7.0417","0.0004","9.1635","0.0005","27.3371","0.0015","90","","90","","90","","1763.97","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dextromethorphan hydrobromide monohydrate","(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium bromide monohydrate","","- C18 H28 Br N O2 -","- C18 H28 Br N O2 -","- C72 H112 Br4 N4 O8 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","353","355","10.1515/ncrs-2020-0528","","","0.71069","MoKα","","0.0366","0.0275","","","0.0574","0.0596","","","","","","1.003","","","","has coordinates","273892","2022-03-22","09:30:13",""
"8104830","7.7111","0.0002","10.9909","0.0003","17.565","0.0004","90","","113.757","0.001","90","","1362.52","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Co N12 -","- C7 H19 Co N12 -","- C28 H76 Co4 N48 -","4","1","","Li, Tianyu; Xu, Xindi; Huang, Meifen; Wang, Man; Wu, Qiong","Crystal structure of tris(azido-κ1 N)-(N-(2-aminoethyl)-N-methyl-1,3-propanediamine-κ3 N,N′,N′′)cobalt(III), C7H19CoN12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","357","358","10.1515/ncrs-2020-0544","","","0.71073","MoKα","","0.0312","0.0266","","","0.0691","0.0718","","","","","","1.068","","","","has coordinates","273893","2022-03-22","10:19:07",""
"8104831","6.2751","0.0004","21.7902","0.0013","13.3401","0.0008","90","","90.793","0.001","90","","1823.89","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis-(1H-indazole-6-carboxylate-k N^2^)- cadmium (II), tetrahydrate","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C64 H72 Cd4 N16 O32 -","4","1","","Lan, Ying-Dong; Xiong, Chun-Lan; Huang, Cui-xin; Xiong, Wan-Ming; Nie, Xu-Liang","Crystal structure of tetraaqua-bis(1H-indazole-6-carboxylate-κN)cadmium (II), C16H18CdN4O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","359","361","10.1515/ncrs-2020-0581","","","0.71073","MoKα","","0.0292","0.0252","","","0.0586","0.0603","","","","","","1.1","","","","has coordinates","273894","2022-03-22","10:22:34",""
"8104832","9.9915","0.0009","13.0923","0.0012","13.1894","0.0013","90","","98.794","0.002","90","","1705","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Cl2 N4 Zn -","- C12 H20 Cl2 N4 Zn -","- C48 H80 Cl8 N16 Zn4 -","4","1","","Yang, Bingchuan; Liu, Gang; Wang, Yong","Crystal structure of dichloride-bis(1-propylimidazole-κ 1 N)zinc(II), C12H20Cl2N4Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","363","365","10.1515/ncrs-2020-0588","","","0.71073","MoKα","","0.0783","0.0453","","","0.1115","0.1248","","","","","","1.055","","","","has coordinates","273895","2022-03-22","10:30:03",""
"8104833","4.6315","0.0001","9.4846","0.0003","39.7929","0.0011","90","","90","","90","","1748.02","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O8 -","- C19 H22 O8 -","- C76 H88 O32 -","4","1","","Tang, Qing; Li, Huan-Yong; Wu, Zhong-Nan; Yan, Ming; Zhang, Yu-Bo; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","367","368","10.1515/ncrs-2020-0554","","x-ray","1.54184","CuKα","","0.0343","0.034","","","0.0889","0.0892","","","","","","1.073","","","","has coordinates","273916","2022-03-23","08:22:20",""
"8104834","8.3185","0.0009","21.883","0.002","13.4345","0.0015","90","","103.473","0.001","90","","2378.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3,3'-(1,2-phenylenebis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V)","","- C18 H20 F12 N4 P2 -","- C18 H20 F12 N4 P2 -","- C72 H80 F48 N16 P8 -","4","1","","Ting, Huang; Jin-Zhu, Chen; Xu-Liang, Nie; Jing, Chen; Wan-Ming, Xiong","Crystal structure of 3,3′-(1,2-phenylene-bis(methylene))bis(1-vinyl- 1H-imidazol-3-ium) bis(hexafluoro phosphate)(V), C18H20F12N4P2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","369","371","10.1515/ncrs-2020-0555","","","0.71073","MoKα","","0.073","0.047","","","0.1146","0.1305","","","","","","1.022","","","","has coordinates,has disorder","273917","2022-03-23","08:26:21",""
"8104835","12.554","0.003","12.401","0.003","18.718","0.005","90","","107.844","0.003","90","","2773.9","1.2","153","2","153.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 N5 Ni O8 -","- C26 H31 N5 Ni O8 -","- C104 H124 N20 Ni4 O32 -","4","1","","Chen, Yu-Xiao; Luo, Zhong-Ping; Zhang, He; Nie, Feng-Mei","Crystal structure of diaqua[bis(benzimidazol-2-yl-methyl)amine-κ3 N,N′,N″]-phthalato-κ1 O-nickel(II)-methanol (1/2), C26H31N5NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","373","375","10.1515/ncrs-2020-0502","","","0.71073","MoKα","","0.06","0.0438","","","0.1098","0.1175","","","","","","0.985","","","","has coordinates","273918","2022-03-23","08:30:14",""
"8104836","9.3018","0.0002","25.1396","0.0007","8.9439","0.0002","90","","102.005","0.003","90","","2045.73","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O? C~10~H~5~F~5~N~2~O~1~","","- C10 H5 F5 N2 O -","- C10 H5 F5 N2 O -","- C80 H40 F40 N16 O8 -","8","2","","Mi, Xia; Hou, Xuehui; Cui, Beibei","Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","377","378","10.1515/ncrs-2020-0553","","x-ray","1.54184","CuKα","","0.0652","0.0458","","","0.1171","0.1345","","","","","","1.045","","","","has coordinates","273919","2022-03-23","08:42:08",""
"8104837","9.513","0.003","9.546","0.003","30.956","0.01","90","","101.228","0.009","90","","2757.3","1.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 N6 Zn -","- C24 H34 Cl2 N6 Zn -","- C96 H136 Cl8 N24 Zn4 -","4","1","","Liu, Xiao-jing; Liu, E.; Jin, Ze-shen; Li, Zhuang-yu; Jian, Fang-fang; Liang, Tong-ling","Crystal structure of dichlorido-bis(1-hexyl-1H-benzotriazole-k1 N)zinc(II), C24H34N6Cl2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","379","381","10.1515/ncrs-2020-0535","","","0.71073","MoKα","","0.0714","0.0452","","","0.117","0.1299","","","","","","1.0388","","","","has coordinates,has disorder","273920","2022-03-23","08:47:05",""
"8104838","4.7061","0.0003","10.4639","0.0006","13.5675","0.0008","90","","97.512","0.002","90","","662.39","0.07","190","","189.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 B Br N2 -","- C16 H12 B Br N2 -","- C32 H24 B2 Br2 N4 -","2","1","","Ding, Siyi; Zhu, Min; Miao, Zong-Cheng","The crystal structre of 2-(4-bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine, C16H12BBrN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","383","384","10.1515/ncrs-2020-0556","","","1.34139","GaKα","","0.0385","0.0384","","","0.0994","0.0995","","","","","","1.085","","","","has coordinates","273921","2022-03-23","08:50:38",""
"8104839","8.0755","0.0007","19.7663","0.0019","10.1987","0.0009","90","","95.94","0.002","90","","1619.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F N O2 -","- C20 H18 F N O2 -","- C80 H72 F4 N4 O8 -","4","1","","Shao, Han-Qiao; Lu, Yuan-Ming; Lin, Qi-Wei; Wang, Yu-Cai; Xie, Yue-Sheng","Crystal structure of diethyl 3,9-bis(4-fluorophenyl)-6,12-diphenyl-3,9-diazapentacyclo[6.4.0.02,7.04,11]dodecane-1,5-dicarboxylate, C40H36F2N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","385","386","10.1515/ncrs-2020-0552","","","0.71073","MoKα","","0.0563","0.0465","","","0.1141","0.1188","","","","","","1.075","","","","has coordinates","273922","2022-03-23","09:19:18",""
"8104840","7.395","0.0005","8.6697","0.0005","11.6813","0.0009","85.457","0.006","76.712","0.006","82.759","0.005","722.07","0.09","99.9","0.3","99.9","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C36 H34 N2 O6 -","2","1","","Luan, Ming-Zhu; Meng, Qing-Guo","Crystal structure of (E)-7-methoxy-2-((5-methoxypyridin-3-yl)methylene)-3,4- dihydronaphthalen-1(2H)-one, C18H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","387","389","10.1515/ncrs-2020-0602","","","0.71073","MoKα","","0.061","0.0502","","","0.1218","0.1342","","","","","","1.053","","","","has coordinates","273923","2022-03-23","09:22:38",""
"8104841","11.0944","0.0004","18.2945","0.0009","11.9283","0.0005","90","","114.33","0.0012","90","","2206.03","0.16","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 Mn N2 O8 -","- C22 H24 Cl2 Mn N2 O8 -","- C88 H96 Cl8 Mn4 N8 O32 -","4","0.5","","Xu, Xindi; Wang, Xia; Tian, Hui; Wang, Man; Wu, Qiong","Crystal structure of (E)-2-chloro-6-(((1,3-dihydroxy-2-(oxidomethyl)propan-2-yl)imino)methyl)phenolate-κ3 N,O,O’)manganese(IV), C22H24Cl2MnN2O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","391","392","10.1515/ncrs-2020-0599","","","0.71073","MoKα","","0.0429","0.0305","","","0.0716","0.0791","","","","","","1.067","","","","has coordinates","273924","2022-03-23","09:28:51",""
"8104842","27.1122","0.0008","6.4295","0.0002","14.7495","0.0004","90","","91.707","0.001","90","","2569.96","0.13","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","α-(<i>meta</i>-methoxyphenoxyl)-<i>ortho</i>-tolylic acid","α-(<i>meta</i>-methoxyphenoxyl)-<i>ortho</i>-tolylic acid","","- C15 H14 O4 -","- C15 H14 O4 -","- C120 H112 O32 -","8","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of α-(meta-methoxyphenoxy)-ortho-tolylic acid, C15H14O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","393","395","10.1515/ncrs-2020-0576","","","0.71073","MoKα","","0.0473","0.0387","","","0.1005","0.1091","","","","","","1.041","","","","has coordinates","273925","2022-03-23","09:32:59",""
"8104843","6.9579","0.0004","8.1852","0.0005","8.7912","0.0005","66.606","0.002","86.105","0.003","89.834","0.002","458.3","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","<i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride","<i>N</i>-(2-chloroethyl)-<i>N,N</i>-diethylammonium chloride","","- C6 H15 Cl2 N -","- C6 H15 Cl2 N -","- C12 H30 Cl4 N2 -","2","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of N-(2-chloroethyl)-N,N-diethylammonium chloride, C6H15Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","397","399","10.1515/ncrs-2020-0562","","","0.71069","MoKα","","0.024","0.0226","","","0.0589","0.0599","","","","","","1.062","","","","has coordinates","273926","2022-03-23","09:36:19",""
"8104844","11.3803","0.0003","14.0832","0.0004","16.2352","0.0007","91.784","0.003","104.264","0.003","107.112","0.002","2395.05","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 N6 O28 V10 -","- C27 H54 N6 O28 V10 -","- C54 H108 N12 O56 V20 -","2","1","","Huo, Yueyang; He, Qingpeng; Wang, Yong","The crystal structure of tris(2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium) trihydrodecavanadate(V), C27H54N6O28V10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","401","404","10.1515/ncrs-2020-0580","","","0.71073","MoKα","","0.0404","0.0291","","","0.0736","0.081","","","","","","1.021","","","","has coordinates","273927","2022-03-23","10:04:42",""
"8104845","9.0752","0.0019","9.542","0.002","16.049","0.003","99.088","0.004","94.422","0.004","107.146","0.004","1300","0.5","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Cl N2 O4 -","- C23 H39 Cl N2 O4 -","- C46 H78 Cl2 N4 O8 -","2","1","","Liu, Xiao-jing; Li, Zhuang-yu; Liu, E; Jian, Fang-fang; Liang, Tong-ling","Crystal structure of 1,3-bis(octyl)benzimidazolium perchlorate C23H39ClN2O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","405","407","10.1515/ncrs-2020-0421","","","0.71073","MoKα","","0.1429","0.0646","","","0.1854","0.2298","","","","","","1.034","","","","has coordinates,has disorder","273928","2022-03-23","10:12:15",""
"8104846","24.665","0.004","18.836","0.003","25.425","0.006","90","","114.364","0.004","90","","10760","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N8 O4 Zr -","- C56 H60 N8 O4 Zr -","- C448 H480 N64 O32 Zr8 -","8","1","","Duan, Xin-E.; Wang, Yu-Hang; Bai, Sheng-Di; Tong, Hong-Bo; Liu, Bin-Shen","Crystal structure of tetrakis[(Z)-(2-(1-(furan-2-yl)-2-methylpropylidene)-1-phenylhydrazin-1-ido-κ2 N,N′)] zirconium(IV), C56H60N8O4Zr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","409","412","10.1515/ncrs-2020-0571","","","0.71073","MoKα","","0.1501","0.055","","","0.0977","0.1239","","","","","","0.994","","","","has coordinates","273929","2022-03-23","10:15:16",""
"8104847","5.7613","0.0004","12.3545","0.0007","13.3427","0.0008","110.002","0.002","98.837","0.002","94.263","0.002","873.56","0.1","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C44 H30 N6 O4 -","2","1","","Li, Jin; Zuo, Zhenyu; Chen, Yan; Liu, Yali; Yin, Dachuan","The crystal structure of 2-(naphthalen-2-yloxy)-4-phenyl-6-(prop-2-yn-1-yloxy)-1,3,5-triazine, C22H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","413","415","10.1515/ncrs-2020-0583","","","1.54178","CuKα","","0.0702","0.0471","","","0.1291","0.1376","","","","","","1.087","","","","has coordinates","273930","2022-03-23","10:17:59",""
"8104848","8.8018","0.0001","10.9658","0.0001","16.9136","0.0001","90","","90","","90","","1632.48","0.03","100","2","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","trimethylsulfonium tris((trifluoromethyl)sulfonyl)methanide","","- C7 H9 F9 O6 S4 -","- C7 H9 F9 O6 S4 -","- C28 H36 F36 O24 S16 -","4","1","","Wirthensohn, Raphael; Finze, Maik","The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","417","419","10.1515/ncrs-2020-0612","","x-ray","1.54184","CuKα","","0.0222","0.0222","","","0.0604","0.0604","","","","","","1.085","","","","has coordinates","273931","2022-03-23","10:23:48",""
"8104849","7.4135","0.0004","13.3008","0.0008","16.9956","0.0007","90","","104.445","0.002","90","","1622.88","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br Cl2 N2 O3 -","- C15 H13 Br Cl2 N2 O3 -","- C60 H52 Br4 Cl8 N8 O12 -","4","1","","Xu, Xindi; Huang, Meifen; Wang, Man; Li, Tianyu; Wu, Qiong","Crystal structure of 4-bromo-N′-[3,5-dichloro-2-hydroxyphenyl)methylidene]benzohydrazide methanol solvate, C15H13BrCl2N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","421","423","10.1515/ncrs-2020-0597","","","0.71073","MoKα","","0.06","0.038","","","0.0909","0.1031","","","","","","1.036","","","","has coordinates","273932","2022-03-23","10:26:26",""
"8104850","14.9517","0.0009","5.4857","0.0003","27.9582","0.0017","90","","102.434","0.006","90","","2239.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 Br2 F N3 S -","- C24 H16 Br2 F N3 S -","- C96 H64 Br8 F4 N12 S4 -","4","1","","Baashen, Mohammed A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","425","427","10.1515/ncrs-2020-0605","","","0.71073","MoKα","","0.0969","0.0444","","","0.1003","0.1237","","","","","","1.013","","","","has coordinates","273964","2022-03-25","07:36:17",""
"8104851","6.4855","0.0004","20.111","0.0012","11.2575","0.0007","90","","92.014","0.002","90","","1467.41","0.16","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-(Adamantan-1-yl)-piperidine-1-carbothioamide","","","- C16 H26 N2 S -","- C16 H26 N2 S -","- C64 H104 N8 S4 -","4","1","","Bari, Ahmed; Hosten, Eric C.; Abdulrahman, AlObaid; Usman, Ghani","The crystal structure of N-(adamantan-1-yl)-piperidine-1-carbothioamide, C16H26N2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","429","430","10.1515/ncrs-2020-0609","","","0.71073","MoKα","","0.0386","0.0324","","","0.0844","0.0889","","","","","","1.044","","","","has coordinates","273965","2022-03-25","07:38:22",""
"8104852","9.3725","0.0006","20.0436","0.0012","15.3281","0.0011","90","","102.896","0.006","90","","2806.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Br4 N5 O4 S -","- C25 H17 Br4 N5 O4 S -","- C100 H68 Br16 N20 O16 S4 -","4","1","","Baashen, Mohammed A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","431","433","10.1515/ncrs-2020-0607","","","0.71073","MoKα","","0.1046","0.0575","","","0.1324","0.1566","","","","","","1.04","","","","has coordinates","273966","2022-03-25","07:42:24",""
"8104853","9.1794","0.0003","11.5706","0.0005","12.3976","0.0005","85.291","0.002","72.198","0.002","74.084","0.002","1205.65","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","benzeneseleninic acid anhydride","benzeneseleninic acid anhydride","","- C12 H10 O3 Se2 -","- C12 H10 O3 Se2 -","- C48 H40 O12 Se8 -","4","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of benzeneseleninic acid anhydride, C12H10O3Se2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","435","437","10.1515/ncrs-2020-0560","","","0.71073","MoKα","","0.05","0.0275","","","0.0613","0.0698","","","","","","1.062","","","","has coordinates","273967","2022-03-25","07:46:23",""
"8104854","5.6693","0.0002","20.2385","0.0007","14.3908","0.0005","90","","100.383","0.001","90","","1624.14","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diphenylammonium chloride antimony trichloride","","- C12 H12 Cl4 N Sb -","- C12 H12 Cl4 N Sb -","- C48 H48 Cl16 N4 Sb4 -","4","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","The crystal structure of diphenyalmine hydrochloride antimony trichloride co-crystallizate, C12H12Cl4NSb – Localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","439","441","10.1515/ncrs-2020-0503","","","0.71069","MoKα","","0.0226","0.0192","","","0.0415","0.043","","","","","","1.097","","","","has coordinates","273968","2022-03-25","07:49:33",""
"8104855","4.7019","0.0006","6.47","0.0009","25.283","0.004","90","","90","","90","","769.14","0.19","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>para</i>-nitrobenzylbromide","<i>para</i>-nitrobenzylbromide","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","443","445","10.1515/ncrs-2020-0564","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0671","","","","","","0.996","","","","has coordinates","273969","2022-03-25","07:52:13",""
"8104856","8.0106","0.0017","29.957","0.006","12.05","0.003","90","","95.025","0.004","90","","2880.6","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 O6 V2 Zn -","- C10 H9 N3 O6 V2 Zn -","- C80 H72 N24 O48 V16 Zn8 -","8","1","","Yang, Bingchuan; Lv, Xueyan; Liu, Gang; Liu, Rutao","Crystal structure of catena-poly[(5H-pyrrolo[3,2-b:4,5-b′]dipyridine-κ2 N,N′)-(μ4-hexaoxidodivanadato)dizinc(II)],C10H9N3O6V2Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","447","449","10.1515/ncrs-2020-0604","","","0.71073","MoKα","","0.0896","0.0512","","","0.1372","0.1975","","","","","","1.061","","","","has coordinates","273970","2022-03-25","07:56:24",""
"8104857","7.8762","0.0012","21.33","0.003","13.181","0.002","90","","99.536","0.002","90","","2183.8","0.6","103","2","103.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Ce N7 O10 -","- C15 H16 Ce N7 O10 -","- C60 H64 Ce4 N28 O40 -","4","1","","Bai, Wen-Jing; Jia, Mei-Ye; Nie, Feng-Mei","Crystal structure of N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine)-κ 5 N,N′,N′′,N′′′,O]-tris(nitrato-κ 2 O,O′) cerium(III), C15H16CeN7O10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","451","453","10.1515/ncrs-2020-0606","","","0.71073","MoKα","","0.0323","0.0285","","","0.0507","0.0523","","","","","","1.067","","","","has coordinates","273971","2022-03-25","08:00:03",""
"8104858","11.576","0.002","12.407","0.003","17.582","0.003","90","","100.76","0.03","90","","2480.8","0.9","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C16 H48 Br5 Cu4 Gd O8 S12 W -","- C16 H48 Br5 Cu4 Gd O8 S12 W -","- C32 H96 Br10 Cu8 Gd2 O16 S24 W2 -","2","1","","Ye, Yunfeng; Tang, Guodong; Qian, Jun","Synthesis and crystal structure of oktakis(dimethylsulphoxide-κ1 O)gadolinium(III) [tetrabromido-μ2-bromido-μ2-sulfido-di-μ3-sulfido-μ4-sulfido-tetracopper(I)-tungsten(VI)], C16H48O8S12Br5Cu4GdW","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","455","457","10.1515/ncrs-2020-0591","","","0.71073","MoKα","","0.0519","0.0446","","","0.1148","0.1169","","","","","","1.039","","","","has coordinates","273972","2022-03-25","08:03:21",""
"8104859","10.0076","0.0005","18.6516","0.001","19.0893","0.0018","90","","108.532","0.006","90","","3378.4","0.4","111.9","0.1","111.9","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 N7 Ni O8 -","- C32 H41 N7 Ni O8 -","- C128 H164 N28 Ni4 O32 -","4","1","","Qiao, Tian-Xu; Chen, Yu-Xiao; An, Jing-Yi; Nie, Feng-Mei","Crystal structure of {tris((1H-benzo[d]imidazol-2- yl)methyl)amine-κ 4 N,N′,N′′,N′′′}-(succinato-κ 2 O,O′)nickel(II) – methanol (1/4), C32H41N7NiO8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","459","461","10.1515/ncrs-2020-0608","","x-ray","0.71073","MoKα","","0.0921","0.0607","","","0.1176","0.134","","","","","","1.028","","","","has coordinates,has disorder","273973","2022-03-25","08:06:53",""
"8104860","9.2801","0.001","11.6017","0.0011","16.4968","0.0015","96.294","0.008","96.371","0.008","105.025","0.009","1687","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Co N18 O12 -","- C72 H68 Co N18 O12 -","- C72 H68 Co N18 O12 -","1","0.5","","Li, Huixing; Han, Xinlong; Cao, Bin","Crystal structure of catena-poly[trans-tetraaqua(μ2-1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol)-k2N:N′)cobalt(II)] dinitrate – 1,1′-(biphenyl-4,4′-diyl)bis(1H-imidazol) – water (1/3/2), C72H68CoN18O12","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","463","465","10.1515/ncrs-2020-0572","","","0.71073","MoKα","","0.1283","0.0631","","","0.0839","0.1043","","","","","","1.03","","","","has coordinates,has disorder","273974","2022-03-25","08:14:03",""
"8104861","15.0005","0.0007","15.9478","0.0008","18.4438","0.001","90","","90","","90","","4412.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H52 O14 Ti2 -","- C44 H52 O14 Ti2 -","- C176 H208 O56 Ti8 -","4","0.5","","Youzhu, Yu; Yuhua, Guo; Yongsheng, Niu; Nana, Liu; Hongfei, Zhang","Crystal structure of bis(μ2-2-oxido-2-phenylacetate-κ3 O:O,O′)-bis(1-isopropoxy-2-oxo-2-phenylethan-1-olato-κ2O,O′)-bis(propan-2-olato-κ1O)dititanium(IV), C44H52O14Ti2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","467","469","10.1515/ncrs-2020-0590","","","0.71073","MoKα","","0.048","0.0372","","","0.0989","0.1089","","","","","","1.049","","","","has coordinates,has disorder","273975","2022-03-25","08:17:16",""
"8104862","7.4709","0.0004","14.2051","0.0009","7.3198","0.0004","90","","97.096","0.004","90","","770.86","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-hydroxymethyl-imidazole-4,5-dicarboxylic acid monohydrate","2-hydroxymethyl-imidazole-4,5-dicarboxylic acid monohydrate","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","","Clark, Candyce R.; Hosten, Eric C.; Betz, Richard","The crystal structure of 5-carboxy-2-(hydroxymethyl)-1H-imidazol-3-ium-4-carboxylate, C6H8N2O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","471","473","10.1515/ncrs-2020-0593","","","0.71073","MoKα","","0.0463","0.0346","","","0.0877","0.0946","","","","","","1.013","","","","has coordinates","273976","2022-03-25","08:20:22",""
"8104863","17.0332","0.0005","4.3407","0.0001","21.9732","0.0005","90","","109.691","0.001","90","","1529.61","0.07","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dibromo-4-fluoroaniline","2,6-dibromo-4-fluoroaniline","","- C6 H4 Br2 F N -","- C6 H4 Br2 F N -","- C48 H32 Br16 F8 N8 -","8","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-dibromo-4-fluoroaniline, C6H4Br2FN","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","475","477","10.1515/ncrs-2020-0557","","","0.71073","MoKα","","0.0409","0.0256","","","0.0482","0.0518","","","","","","1.005","","","","has coordinates","273977","2022-03-25","08:23:54",""
"8104864","19.328","0.004","7.1086","0.0012","11.627","0.002","90","","99.417","0.009","90","","1576","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>para</i>-chlorobenz-<i>ortho</i>-phenoxyanilide","<i>para</i>-chlorobenz-<i>ortho</i>-phenoxyanilide","","- C19 H14 Cl N O2 -","- C19 H14 Cl N O2 -","- C76 H56 Cl4 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-N-(2-phenoxyphenyl)benzamide, C19H14ClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","479","481","10.1515/ncrs-2020-0567","","","0.71073","MoKα","","0.0771","0.0582","","","0.1451","0.1615","","","","","","1.062","","","","has coordinates","273978","2022-03-25","08:26:50",""
"8104865","5.0743","0.0005","14.0545","0.0013","13.3319","0.0017","90","","91.102","0.005","90","","950.61","0.18","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-methyl-β-naphthothiazole","2-methyl-β-naphthothiazole","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-methyl-β-naphthothiazole, C12H9NS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","483","485","10.1515/ncrs-2020-0563","","","0.71073","MoKα","","0.042","0.0322","","","0.0845","0.0908","","","","","","1.031","","","","has coordinates","273979","2022-03-25","08:30:07",""
"8104866","29.4307","0.0004","15.42797","0.00017","18.4667","0.0002","90","","104.465","0.0012","90","","8119.11","0.17","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H46.234 O3.167 -","- C30 H46 O3 -","- C360 H552 O36 -","12","3","","Wang, Xiao-Hui; Wang, Hui-yun; Wang, Jia-Zhen; Zhang, Mei; Chen, Xiao-Qian; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of 3-oxo-urs-12-en-28-oic acid, C30H46O3·1/6H2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","1","5","10.1515/ncrs-2020-0423","","x-ray","1.54184","CuKα","","0.0485","0.0432","","","0.1135","0.1197","","","","","","1.023","","","","has coordinates","273980","2022-03-25","08:34:34",""
"8104867","8.17152","0.00014","17.6728","0.0003","23.1916","0.0005","90","","90","","90","","3349.18","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H58 O6.5 -","- C34 H56 O6 -","- C136 H224 O24 -","4","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Luan, Ming-Zhu; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C34H56O6⋅ 0.25(C4H8O2)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","7","9","10.1515/ncrs-2020-0462","","","1.54184","CuKα","","0.047","0.0416","","","0.1088","0.1143","","","","","","1.023","","","","has coordinates","273981","2022-03-25","08:38:43",""
"8104868","9.0313","0.0009","9.6075","0.0014","15.3044","0.0015","89.933","0.002","78.579","0.001","68.878","0.001","1210.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H32 N4 O16 S4 Zn2 -","- C8 H32 N4 O16 S4 Zn2 -","- C16 H64 N8 O32 S8 Zn4 -","2","1","","Meng, Gaoxiang; Li, Zhou; Yang, Yongming","A new polymorph of tetrakis(dimethylammonium) catena-poly[tetrakis(μ 2-sulfato-κ 2 O:O′)dizinc(II)], Zn2C8H32N4O16S4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","11","13","10.1515/ncrs-2020-0441","","","0.71073","MoKα","","0.0377","0.0323","","","0.1005","0.1043","","","","","","1.066","","","","has coordinates","273982","2022-03-25","08:43:16",""
"8104869","5.2759","0.0001","10.3482","0.0003","23.5372","0.0006","90","","90","","90","","1285.04","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Yan, Ming; Li, Huan-Yong; Luo, Ding; Chen, Si; Zhang, Yu-Bo; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of 10-oxysophoridine, C15H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","15","16","10.1515/ncrs-2020-0469","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0836","0.0852","","","","","","1.087","","","","has coordinates","273983","2022-03-25","08:46:27",""
"8104870","12.34133","0.00014","16.50759","0.00015","26.8804","0.0002","90","","90","","90","","5476.23","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C240 H384 O32 -","8","2","","Sun, Ke-wei; Wang, Hui-yun; Ma, Guang-qun; Luo, Qin; Wang, Yun-Hui; Meng, Qing-Guo","The crystal structure of (5R,8R,9R,10R,12R,13R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)tetradecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","17","20","10.1515/ncrs-2020-0459","","x-ray","1.54184","CuKα","","0.0507","0.0422","","","0.0899","0.099","","","","","","1.065","","","","has coordinates","273984","2022-03-25","09:43:22",""
"8104871","7.5621","0.0002","8.6787","0.0003","9.8951","0.0003","110.418","0.001","97.681","0.001","108.843","0.001","553.33","0.03","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 S2 -","- C30 H22 S2 -","- C30 H22 S2 -","1","0.5","","Jing, Nie; Jian-Hua, Wei; Zhong-Hai, Ni","Synthesis, crystal structure and optical property of 1,6-bis(p-tolylthio)pyrene, C30H22S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","21","23","10.1515/ncrs-2020-0466","","","0.71073","MoKα","","0.0477","0.0413","","","0.1115","0.116","","","","","","1.032","","","","has coordinates","273985","2022-03-25","09:47:18",""
"8104872","21.1781","0.0019","14.4198","0.0013","24.543","0.002","90","","90","","90","","7495","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C60 H64 N18 O30 V10 -","- C60 H64 N18 O30 V10 -","- C240 H256 N72 O120 V40 -","4","0.5","","Cui, Chuansheng; Liu, Sen; Zhao, Wenli","The crystal structure of hexakis(2-(pyridin-2-ylamino)pyridin-1-ium) decavanadate(V) dihydrate, C60H64N18O30V10","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","25","27","10.1515/ncrs-2020-0465","","","0.71073","MoKα","","0.1042","0.0538","","","0.1278","0.1482","","","","","","0.935","","","","has coordinates","273986","2022-03-25","09:50:30",""
"8104873","12.457","0.003","22.806","0.008","7.398","0.002","90","","90","","90","","2101.7","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H20 Cl4 N2 O Zr -","- C18 H20 Cl4 N2 O Zr -","- C72 H80 Cl16 N8 O4 Zr4 -","4","0.5","","Bonitatibus, Peter J.; Reiss, Guido J.","Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C18H20Cl4N2OZr","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","29","32","10.1515/ncrs-2020-0464","","","0.71073","MoKα","","0.0395","0.0291","","","0.0641","0.0685","","","","","","1.06","","","","has coordinates","273987","2022-03-25","09:53:53",""
"8104874","9.8409","0.0006","14.0933","0.0009","13.9153","0.0009","90","","90.558","0.002","90","","1929.8","0.2","99.99","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N5 O6 Re -","- C18 H16 N5 O6 Re -","- C72 H64 N20 O24 Re4 -","4","1","","Moremi, Mamolatelo J.; Alexander, Orbett T.; Vatsha, Banele; Makgopa, Katlego; Manicum, Amanda-Lee E.","The crystal structure of fac-tricarbonyl(4,4-dimethyl-2,2-dipyridyl-κ2 N,N′)- (pyrazole-κN)rhenium(I) nitrate, C18H16O3N4Re","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","33","35","10.1515/ncrs-2020-0458","","","0.71073","MoKα","","0.034","0.0266","","","0.0566","0.0584","","","","","","1.05","","","","has coordinates","273988","2022-03-25","09:59:07",""
"8104875","7.2407","0.0003","9.7565","0.0004","21.1814","0.001","90","","93.913","0.002","90","","1492.85","0.11","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Hexaaquacopper(II) dihydrogen pyromellitate","","- C10 H16 Cu O14 -","- C10 H16 Cu O14 -","- C40 H64 Cu4 O56 -","4","0.5","","Oguntade, Bukunola K.; Hulushe, Siya T.; Hosten, Eric C.; Watkins, Gareth M.","Synthesis and crystal structure of hexaaquacopper(II) 2,5-dicarboxyterephthalate, C10H16O14Cu","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","37","38","10.1515/ncrs-2020-0454","","","0.71073","MoKα","","0.0214","0.0198","","","0.0504","0.0509","","","","","","1.065","","","","has coordinates","273990","2022-03-25","10:02:54",""
"8104876","11.6608","0.001","14.8098","0.0015","15.9975","0.0016","90","","90","","90","","2762.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","","Wang, Xiao-Hui; Wang, Hui-yun; Zhang, Sheng-Nan; Song, Jia; Liang, Lun-Hai; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (8R,10R,12R,14R)- 12-hydroxy-16-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)- 4,4,8,10,14-pentamethyltetradecahydro-3H- cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","39","42","10.1515/ncrs-2020-0453","","","1.54178","CuKα","","0.1265","0.0586","","","0.1201","0.158","","","","","","0.903","","","","has coordinates","273991","2022-03-25","10:05:57",""
"8104877","11.7324","0.0005","7.4663","0.0003","17.2211","0.0008","90","","104.89","0.001","90","","1457.87","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Br0.5 Cl0.5 N O2 -","- C17 H14 Br0.5 Cl0.5 N O2 -","- C68 H56 Br2 Cl2 N4 O8 -","4","1","","Geng, Yi-Ding; Gong, Yi-Xia","Structure of the mixed crystal (S)-(6-(bromo/chloro)-2-methoxy-2,6-dihydroquinolin-3-yl)(phenyl)methanol, C17H14Br0.5Cl0.5NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","43","44","10.1515/ncrs-2020-0447","","","0.71073","MoKα","","0.0507","0.0334","","","0.0641","0.0693","","","","","","0.997","","","","has coordinates","273992","2022-03-25","10:09:16",""
"8104878","4.8272","0.0007","15.828","0.002","14.3688","0.0019","90","","95.312","0.013","90","","1093.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Mn O12 -","- C20 H26 Mn O12 -","- C40 H52 Mn2 O24 -","2","0.5","","Jie, Yin; Feng-Jun, Zhang; Xi-Shi, Tai","The crystal structure of trans-tetraaqua-bis(4-acetylphenoxyacetato-κ1 O)manganese(II), C20H26O12Mn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","45","46","10.1515/ncrs-2020-0467","","x-ray","0.71073","MoKα","","0.0413","0.0344","","","0.0738","0.0789","","","","","","1.03","","","","has coordinates","273993","2022-03-25","10:12:32",""
"8104879","8.1539","0.0007","8.8584","0.0006","11.8025","0.0009","73.186","0.007","76.184","0.007","69.512","0.007","755.39","0.11","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C38 H28 F8 O4 -","2","1","","Zhang, Xiao-Fan; Wang, Hui-yun; Zhao, Sheng-Nan; Zhang, Sheng-Nan; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-2-(4-fluoro-3-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","47","49","10.1515/ncrs-2020-0448","","","0.71073","MoKα","","0.0572","0.0436","","","0.0867","0.0965","","","","","","1.011","","","","has coordinates","273994","2022-03-25","10:15:26",""
"8104880","29.554","0.004","7.493","0.0011","8.28","0.001","90","","90","","90","","1833.6","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","DL-α-(Methylaminomethyl)benzyl alcohol","DL-α-(Methylaminomethyl)benzyl alcohol","","- C9 H13 N O -","- C9 H13 N O -","- C72 H104 N8 O8 -","8","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of DL-α-(methylaminomethyl)benzyl alcohol, C9H13NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","51","53","10.1515/ncrs-2020-0433","","","0.71069","MoKα","","0.0994","0.0737","","","0.1542","0.1646","","","","","","1.117","","","","has coordinates","273995","2022-03-25","10:18:04",""
"8104881","29.98","0.007","8.4695","0.0017","20.719","0.004","90","","128.124","0.007","90","","4138.6","1.6","170","2","170","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dipentaerthritol hexanitrate","","- C10 H16 N6 O19 -","- C10 H16 N6 O19 -","- C80 H128 N48 O152 -","8","1","","Zheng, Yue; Lizhen, Chen; Hui, Chao; Chenglong, Wei; Zhihua, Li; Duanlin, Cao","The crystal structure of dipentaerthritol hexanitrate, C10H16N6O19","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","55","56","10.1515/ncrs-2020-0443","","x-ray","0.71073","MoKα","","0.1176","0.0587","","","0.0587","0.1683","","","","","","1.058","","","","has coordinates","273996","2022-03-25","10:20:37",""
"8104882","23.801","0.004","6.051","0.0013","7.2677","0.0014","90","","90","","90","","1046.7","0.3","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","<i>N,N</i>-Diphenylformamide","<i>N,N</i>-Diphenylformamide","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N,N-diphenylformamide, C13H11NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","57","59","10.1515/ncrs-2020-0430","","","0.71073","MoKα","","0.0407","0.0335","","","0.0804","0.0896","","","","","","1.095","","","","has coordinates","273997","2022-03-25","10:23:30",""
"8104883","14.791","0.002","8.5303","0.0009","15.531","0.003","90","","115.474","0.019","90","","1769.1","0.5","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F6 O2 -","- C20 H14 F6 O2 -","- C80 H56 F24 O8 -","4","1","","Luan, Ming-Zhu; Wang, Hui-yun; Zhang, Mei; Song, Jia; Hou, Gui-Ge; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-2-(3,5-bis(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen- 1(2H)-one, C20H14F6O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","61","63","10.1515/ncrs-2020-0446","","","0.71073","MoKα","","0.0901","0.0574","","","0.1253","0.1451","","","","","","1.043","","","","has coordinates,has disorder","273998","2022-03-25","10:26:24",""
"8104884","10.9521","0.0005","10.9521","0.0005","23.3014","0.0017","90","","90","","90","","2795","0.3","200","2","200","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","<i>ortho</i>-anisaldehyde","2-methoyx benzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C128 H128 O32 -","16","2","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of ortho-methoxy benzaldehyde, C8H8O2 – a second polymorph and deposition of 3D coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","65","67","10.1515/ncrs-2020-0427","","","0.71073","MoKα","","0.0357","0.0317","","","0.0847","0.0883","","","","","","1.058","","","","has coordinates","273999","2022-03-25","10:29:59",""
"8104885","8.8682","0.0003","22.1328","0.0008","27.9848","0.001","90","","96.71","0.001","90","","5455.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H79 O11 Y -","- C51 H79 O11 Y -","- C204 H316 O44 Y4 -","4","1","","Zhong, Ke-Xiang; Zhang, Rong-Gui; Li, Lai-Chao; Zhao, De-Sen; Wang, Yan-Liang","Crystal structure of catena-poly[diaqua-bis(μ2-2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O:O')-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)propanoato-κ2 O,O')yttrium(III)], C51H79O11Y","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","69","72","10.1515/ncrs-2020-0424","","","0.71073","MoKα","","0.1039","0.0495","","","0.1052","0.1275","","","","","","0.999","","","","has coordinates","274000","2022-03-25","10:33:25",""
"8104886","11.3126","0.0006","8.3567","0.0004","20.413","0.0011","90","","90","","90","","1929.76","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","benzylthiouronium chloride","benzylthiouronium chloride","","- C8 H11 Cl N2 S -","- C8 H11 Cl N2 S -","- C64 H88 Cl8 N16 S8 -","8","1","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of benzylthiouronium chloride, C8H11ClN2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","73","75","10.1515/ncrs-2020-0429","","","0.71073","MoKα","","0.0301","0.024","","","0.0636","0.068","","","","","","1.023","","","","has coordinates","274022","2022-03-28","07:20:49",""
"8104887","11.4608","0.0005","12.1489","0.0005","23.1684","0.0007","90","","90","","90","","3225.9","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Cl N3 O7 -","- C36 H32 Cl N3 O7 -","- C144 H128 Cl4 N12 O28 -","4","1","","Li, Wu-Wu; Gu, Yuan-Zi; Cao, Lei","Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C36H32ClN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","77","80","10.1515/ncrs-2020-0408","","","1.54184","CuKα","","0.069","0.0588","","","0.1469","0.1546","","","","","","1.063","","","","has coordinates","274023","2022-03-28","07:34:03",""
"8104888","6.3037","0.0003","33.102","0.002","7.0471","0.0004","90","","102.105","0.003","90","","1437.79","0.14","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2-hydroxy-4-methoxy benzaldehyde","2-hydroxy-4-methoxy benzaldehyde","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","","Ndima, Lubabalo; Hosten, Eric C.; Betz, Richard","Crystal structure of 2-hydroxy-4-methoxy benzaldehyde, C8H8O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","81","83","10.1515/ncrs-2020-0426","","","0.71073","MoKα","","0.0673","0.0433","","","0.0992","0.1087","","","","","","1.022","","","","has coordinates","274024","2022-03-28","07:37:51",""
"8104889","26.026","0.003","6.3807","0.0006","19.738","0.005","90","","98.162","0.016","90","","3244.6","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cd O10 -","- C16 H12 Cd O10 -","- C128 H96 Cd8 O80 -","8","1","","Luo, Jie; Gu, Guang-Na; Zheng, Ying-Li","Crystal structure of poly[diaqua-(m3-3′,5′-dicarboxy-[1,1′-biphenyl]-3,4-dicarboxylato-K4 O,O′:O″:O‴) cadmium(II)], C16H11O10Cd","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","85","86","10.1515/ncrs-2020-0420","","","0.71073","MoKα","","0.0463","0.0354","","","0.0649","0.0685","","","","","","1.037","","","","has coordinates","274025","2022-03-28","07:41:15",""
"8104890","18.2539","0.0003","15.3118","0.0003","18.3718","0.0004","90","","91.2637","0.0017","90","","5133.67","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H78 Ca O22 S2 -","- C43 H78 Ca O22 S2 -","- C172 H312 Ca4 O88 S8 -","4","2","","Chang, Ying-Jie; Ding, Yuan-Min; Zhu, Lin-Yuan; Liu, Hong-Min; Li, Wen","Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)} – water – acetone (1/1/8/2)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","87","91","10.1515/ncrs-2020-0382","","x-ray","1.54184","CuKα","","0.0662","0.0544","","","0.147","0.1622","","","","","","1.023","","","","has coordinates","274026","2022-03-28","07:48:01",""
"8104891","10.5707","0.0004","11.1159","0.0005","15.926","0.0007","92.654","0.002","104.446","0.001","116.04","0.001","1601.9","0.12","173","2","173","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H60 Br4 N8 O9 Zn2 -","- C65 H60 Br4 N8 O9 Zn2 -","- C65 H60 Br4 N8 O9 Zn2 -","1","0.5","","Song, Xiao-San","Synthesis and crystal structure of bis{2-bromo-6-((E)-((4-((E)-1-(methoxy-imino)ethyl)phenyl)imino)methyl)phenolato- κ 2 N,O}zinc(II)-methanol(1/2), C65H60Br4N8O9Zn2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","93","95","10.1515/ncrs-2020-0370","","","0.71073","MoKα","","0.0836","0.0574","","","0.115","0.1284","","","","","","1.096","","","","has coordinates,has disorder","274028","2022-03-28","08:11:54",""
"8104892","15.3524","0.0008","5.718","0.0003","15.3395","0.0009","90","","90","","90","","1346.58","0.13","200","2","200","2","","","","","","","","4","P c a 21","P 2c -2ac","29","benzenesulphonic acid","benzenesulphonic acid","","- C6 H6 O3 S -","- C6 H6 O3 S -","- C48 H48 O24 S8 -","8","2","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of benzenesulphonic acid","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","97","99","10.1515/ncrs-2020-0391","","","0.71073","MoKα","","0.0286","0.0253","","","0.0645","0.0663","","","","","","1.048","","","","has coordinates","274029","2022-03-28","08:18:41",""
"8104893","18.4336","0.0013","6.0321","0.0004","15.0585","0.001","90","","112.171","0.003","90","","1550.6","0.19","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-Benzyl-</i>N</i>-nicotinoyl-nicotine amide","<i>N</i>-Benzyl-</i>N</i>-nicotinoyl-nicotine amide","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","Crystal structure of N-benzyl-N-nicotinoyl-nicotine amide C19H15N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","101","103","10.1515/ncrs-2020-0428","","","0.71073","MoKα","","0.0992","0.0535","","","0.1137","0.1298","","","","","","1.031","","","","has coordinates","274030","2022-03-28","08:21:36",""
"8104894","10.7841","0.001","8.014","0.0005","11.722","0.0011","90","","117.278","0.011","90","","900.4","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag2 N4 O8 S2 -","- C12 H18 Ag2 N4 O8 S2 -","- C24 H36 Ag4 N8 O16 S4 -","2","0.5","","He, Ze-Rong; Zhao, Han-Lin; Jiang, Jin-Ke; Cheng, Hao-Feng; Cheng, Jie; Dong, Xian-Wu","Crystal structure of poly[aqua(μ3-2,4-diamino-benzenesulfonato-κ4 N:N ′,O:O′)silver(I)], C12H18O8N4S2Ag2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","105","106","10.1515/ncrs-2020-0440","","","0.71073","MoKα","","0.0343","0.0279","","","0.0583","0.0627","","","","","","1.09","","","","has coordinates","274031","2022-03-28","08:26:04",""
"8104895","8.2947","0.0004","8.9964","0.0005","9.421","0.0005","70.988","0.001","79.971","0.001","82.567","0.001","652.52","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N6 Ni S4 -","- C26 H18 N6 Ni S4 -","- C26 H18 N6 Ni S4 -","1","0.5","","Yan, Wei-Hong; Pan, Hui-Yan","Crystal structure of 1,4-bis(methylpyridinium benzene) bis(1,2-dicyanoethene-1,2-dithiolato-κ2 S:S)nickel(II), C26H18N6NiS4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","107","108","10.1515/ncrs-2020-0407","","","0.71073","MoKα","","0.0444","0.034","","","0.0621","0.0643","","","","","","1.058","","","","has coordinates","274032","2022-03-28","08:30:55",""
"8104896","10.63346","0.00014","17.99387","0.00015","11.6032","0.00016","90","","116.216","0.0017","90","","1991.74","0.05","292.88","0.11","292.88","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Cl Cu N4 O3 -","- C23 H15 Cl Cu N4 O3 -","- C92 H60 Cl4 Cu4 N16 O12 -","4","1","","Yang, Qi; Hou, Meng-Qi; Chen, Pei-Rou; Li, Shuo; Zhou, Guang-Peng; Li, Gan; Chen, Dong-Dong","Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2 N,O)-(phenanthroline-k2 N,N')copper(II), C23H15ClCuN4O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","109","111","10.1515/ncrs-2020-0398","","x-ray","1.54184","CuKα","","0.0339","0.0315","","","0.0874","0.0898","","","","","","1.012","","","","has coordinates","274033","2022-03-28","08:39:39",""
"8104897","7.718","0.0007","8.219","0.0007","11.962","0.001","87.438","0.004","73.45","0.004","72.167","0.004","691.66","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Phenarsazine chloride acetic acid solvate","","- C14 H13 As Cl N O2 -","- C14 H13 As Cl N O2 -","- C28 H26 As2 Cl2 N2 O4 -","2","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","Crystal structure of phenarsazine chloride acetic acid solvate, C14H13AsClNO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","113","115","10.1515/ncrs-2020-0434","","","0.71069","MoKα","","0.0239","0.0203","","","0.0524","0.0541","","","","","","1.04","","","","has coordinates","274036","2022-03-28","09:04:34",""
"8104898","8.4357","0.001","10.1228","0.001","13.5186","0.001","83.83","0.007","84.306","0.008","89.406","0.009","1142","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 N O9 Zn -","- C27 H18 N O9 Zn -","- C54 H36 N2 O18 Zn2 -","2","1","","Luo, Jie; Wang, Xiao-Wei; Zheng, Ying-Li","Crystal structure of poly[aqua-(μ 2-3,3′,4,5′-biphenyl tetracarboxylate- κ 3 O,O′:O′′) -(μ 2-4,4′-bis(pyrid-4-yl)biphenyl-κ 2 N:N′)zinc(II)], C27H18NO9Zn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","117","119","10.1515/ncrs-2020-0411","","x-ray","0.71073","MoKα","","0.0929","0.0665","","","0.13","0.1427","","","","","","1.065","","","","has coordinates","274037","2022-03-28","09:09:39",""
"8104899","13.1936","0.0009","11.0544","0.0007","16.3653","0.0009","90","","99.214","0.006","90","","2356","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Ag N3 O3 S -","- C26 H24 Ag N3 O3 S -","- C104 H96 Ag4 N12 O12 S4 -","4","1","","Liu, Xin; Zhao, Han-Lin; Jiang, Jin-Ke; Ma, Si-Yu; Li, Yong; Li, Yu-Jie","Crystal structure of catena-poly[(μ2-3-amino-benzenedisulfonato-κ2 N:O)-bis (3-methyl-isoquinoline-κN)silver(I)], C26H24N3O3SAg","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","121","123","10.1515/ncrs-2020-0437","","","0.71073","MoKα","","0.1042","0.0495","","","0.084","0.108","","","","","","1.058","","","","has coordinates","274038","2022-03-28","09:19:02",""
"8104900","6.6909","0.0005","7.9787","0.0006","8.5551","0.0006","80.065","0.003","68.175","0.003","77.676","0.004","412.01","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","(4-aminophenylsulfanyl)acetic acid","(4-aminothiophenoxy)acetic acid","","- C8 H9 N O2 S -","- C8 H9 N O2 S -","- C16 H18 N2 O4 S2 -","2","1","","Maritz, Marius; Hosten, Eric C.; Betz, Richard","Crystal structure of 2-((4-Aminophenyl)thio)acetic acid, C8H9NO2S","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","125","127","10.1515/ncrs-2020-0397","","","0.71073","MoKα","","0.0272","0.0263","","","0.0775","0.0784","","","","","","1.094","","","","has coordinates","274039","2022-03-28","09:22:04",""
"8104901","5.2852","0.0002","13.3035","0.0006","10.7522","0.0005","90","","90.13","0.002","90","","756","0.06","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","phenarsazine chloride dimethyl sulfoxide solvate","","- C14 H15 As Cl N O S -","- C14 H15 As Cl N O S -","- C28 H30 As2 Cl2 N2 O2 S2 -","2","1","","Averdunk, Arthur; Hosten, Eric C.; Betz, Richard","Crystal structure of phenarsazine chloride dimethylsulfoxide solvate, C14H15AsClNOS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","129","131","10.1515/ncrs-2020-0394","","","0.71073","MoKα","","0.0215","0.02","","","0.0498","0.0503","","","","","","1.024","","","","has coordinates,has disorder","274040","2022-03-28","09:26:28",""
"8104902","5.8085","0.0013","16.533","0.004","18.171","0.004","90","","90","","90","","1745","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-azido-<i>N</i>-phenylacetamide","","- C8 H8 N4 O -","- C8 H8 N4 O -","- C64 H64 N32 O8 -","8","2","","Guerrab, Walid; Missioui, Mohcine; Zaoui, Younes; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","133","134","10.1515/ncrs-2020-0409","","","1.54178","CuKα","","0.0416","0.0399","","","0.1055","0.1078","","","","","","1.044","","","","has coordinates","274041","2022-03-28","09:30:24",""
"8104903","11.549","0.003","12.321","0.003","12.348","0.004","111.785","0.001","116.664","0.003","97.513","0.001","1361.3","0.7","197","2","197","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 B Cl Cu N6 -","- C30 H28 B Cl Cu N6 -","- C60 H56 B2 Cl2 Cu2 N12 -","2","1","","Fujisawa, Kiyoshi; Shimizu, Masaya; Tiekink, Edward R. T.","Crystal structure of chlorido{hydridotris[3-phenyl-5-methylpyrazol-1-yl-κN 3]borato}copper(II), C30H28BClCuN6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","135","138","10.1515/ncrs-2020-0410","","","0.71075","MoKα","","0.0588","0.044","","","0.0972","0.1063","","","","","","1.036","","","","has coordinates","274042","2022-03-28","09:33:27",""
"8104904","5.0604","0.0012","14.672","0.003","14.846","0.003","90","","90","","90","","1102.3","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","benzanthrone","benzanthrone","","- C17 H10 O -","- C17 H10 O -","- C68 H40 O4 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","139","141","10.1515/ncrs-2020-0389","","","0.71073","MoKα","","0.0709","0.0432","","","0.0923","0.1022","","","","","","1.017","","","","has coordinates","274058","2022-03-29","07:04:00",""
"8104905","27.3992","0.0018","3.9369","0.0002","12.8006","0.0008","90","","103.504","0.002","90","","1342.6","0.14","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>para</i>-bromo benzaldehyde","4-bromo benzaldehyde","","- C7 H5 Br O -","- C7 H5 Br O -","- C56 H40 Br8 O8 -","8","2","","Ndima, Lubabalo; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard","Crystal structure of 4-bromobenzaldehyde – complete redetermination at 200 K, C7H5BrO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","143","145","10.1515/ncrs-2020-0392","","","0.71073","MoKα","","0.0695","0.0469","","","0.1034","0.1103","","","","","","1.179","","","","has coordinates","274059","2022-03-29","07:08:46",""
"8104906","17.1345","0.0007","7.8207","0.0002","19.0213","0.0008","90","","108.268","0.001","90","","2420.46","0.16","184","2","184","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 B Cl Cu N8 -","- C20 H30 B Cl Cu N8 -","- C80 H120 B4 Cl4 Cu4 N32 -","4","1","","Fujisawa, Kiyoshi; Tiekink, Edward R. T.","Crystal structure and spectroscopic properties of chlorido{hydridotris[3-,5-dimethylpyrazol-1-yl-κN 3]borato}(3-,5-dimethylpyrazol-1-yl-κN)copper(II), C20H30BClCuN8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","147","150","10.1515/ncrs-2020-0412","","","0.7107","MoKα","","0.0345","0.0322","","","0.0859","0.0876","","","","","","1.071","","","","has coordinates","274060","2022-03-29","07:11:54",""
"8104907","11.677","0.002","13.999","0.003","11.171","0.002","90","","90","","90","","1826.1","0.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Wang, Wenxiang; Zhu, Chao","The crystal structure of 4-((2-hydroxynaphthalen-1-yl)(pyrrolidin-1-yl)methyl)benzonitrile, C22H20N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","151","153","10.1515/ncrs-2020-0415","","","0.71073","MoKα","","0.0888","0.0521","","","0.0943","0.1078","","","","","","1.074","","","","has coordinates","274061","2022-03-29","07:14:50",""
"8104908","19.197","0.002","8.0719","0.0008","16.6511","0.0018","90","","100.171","0.01","90","","2539.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one","","- C17 H15 N O -","- C34 H30 N2 O2 -","- C136 H120 N8 O8 -","4","0.5","","Lin, Hui-Mei; Peng, Jia-Yin; Zou, Ting-Guang; Xu, Wan-Yi; Tao, Yi-Wen; Lai, Bao-Long","Crystal structure of 4-ethyl-3-phenylisoquinolin-1(2H)-one, C17H15NO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","155","156","10.1515/ncrs-2020-0422","","x-ray","0.71073","MoKα","","0.0472","0.0416","","","0.1053","0.1107","","","","","","1.032","","","","has coordinates","274062","2022-03-29","07:26:30",""
"8104909","9.62498","0.00007","11.78239","0.0001","12.74349","0.00013","78.7411","0.0008","73.5635","0.0008","76.6096","0.0001","1335.34","0.02","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C26 H40 Au F N O P S -","- C26 H40 Au F N O P S -","- C52 H80 Au2 F2 N2 O2 P2 S2 -","2","2","","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structure of (tricyclohexylphosphane-κP)-[(Z)-N-(3-fluorophenyl)-O-methylthiocarbamato-k1 S]gold(I), C26H40AuFNOPS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","157","161","10.1515/ncrs-2020-0399","","","1.54184","CuKα","","0.0226","0.0224","","","0.0554","0.0557","","","","","","1.042","","","","has coordinates,has disorder","274063","2022-03-29","07:30:33",""
"8104910","7.8727","0.0001","19.9173","0.0002","19.1801","0.0002","90","","94.539","0.001","90","","2998.06","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","2","","Ma, Ying; Wang, Hui-Yun; Zhang, Xiao-Fan; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3S,8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H54O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","163","166","10.1515/ncrs-2020-0311","","","1.54178","CuKα","","0.0403","0.037","","","0.0951","0.0983","","","","","","1.034","","","","has coordinates","274064","2022-03-29","07:33:36",""
"8104911","6.6856","0.0005","8.8783","0.0007","13.2398","0.0009","90","","97.72","0.002","90","","778.75","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C40 H38 N2 O4 -","2","1","","Gong, Yi-Xia; Geng, Yi-Ding","The crystal structure of 2-[(S)-1-(naphthalen-1-yl)ethyl]-2,3,7,7a- tetrahydro-3a,6-epoxyisoindol-1(6H)-one, C19H20NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","167","168","10.1515/ncrs-2020-0439","","","0.71073","MoKα","","0.0708","0.0423","","","0.0851","0.097","","","","","","1.018","","","","has coordinates","274065","2022-03-29","07:36:54",""
"8104912","9.611","0.003","17.586","0.005","19.71","0.006","90","","98.374","0.007","90","","3295.8","1.7","182","2","182","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 B N6 Tl -","- C30 H52 B N6 Tl -","- C120 H208 B4 N24 Tl4 -","4","1","","Fujisawa, Kiyoshi; Shimizu, Daichi; Tiekink, Edward R. T.","Crystal structure of {hydridotris[3-(t-butyl)-5-isopropylpyrazol-1-yl-κN 3]borato}thallium(I), C30H52BN6Tl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","169","172","10.1515/ncrs-2020-0405","","","0.71075","MoKα","","0.022","0.0152","","","0.0367","0.0381","","","","","","1.006","","","","has coordinates","274066","2022-03-29","07:41:00",""
"8104913","47.4887","0.0009","5.022","0.0001","16.4551","0.0003","90","","108.993","0.001","90","","3710.7","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-octyl-3-phenyl-1,2-dihydroquinoxaline-2-one","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C176 H208 N16 O8 -","8","1","","Abad, Nadeem; Ferfra, Souad; Essassi, El Mokhtar; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 1-octyl-3-phenylquinoxalin-2(1H)-one, C22H26N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","173","175","10.1515/ncrs-2020-0404","","","1.54178","CuKα","","0.0391","0.0345","","","0.0899","0.0935","","","","","","1.03","","","","has coordinates","274067","2022-03-29","07:43:37",""
"8104914","4.9287","0.0005","10.1752","0.0008","10.9156","0.001","90","","90","","90","","547.42","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-difluorophenol","2,6-difluorophenol","","- C6 H4 F2 O -","- C6 H4 F2 O -","- C24 H16 F8 O4 -","4","1","","Manana, Pholani; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-difluorophenol, C6H4F2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","177","178","10.1515/ncrs-2020-0432","","","0.71073","MoKα","","0.0264","0.0248","","","0.0688","0.0705","","","","","","1.094","","","","has coordinates","274068","2022-03-29","07:46:41",""
"8104915","8.4285","0.0004","19.2055","0.0009","19.7809","0.0012","90","","90","","90","","3202","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","1","","Kailani, Mohammed H.; Awwadi, Firas F.","4-(9H-Fluoren-9-yl)-4-methylmorpholin-4-ium bromide, C18H20BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","179","180","10.1515/ncrs-2020-0436","","","0.71073","MoKα","","0.0843","0.0427","","","0.0912","0.1025","","","","","","1.022","","","","has coordinates","274069","2022-03-29","07:52:44",""
"8104916","4.7212","0.0004","11.1424","0.0008","12.8211","0.0009","90","","94.349","0.003","90","","672.52","0.09","200","2","200","2","","","","","","","","4","I 1 a 1","I -2ya","9","2,4-dimethylimidazole hydrate","2,4-dimethylimidazole hydrate","","- C5 H10 N2 O -","- C5 H10 N2 O -","- C20 H40 N8 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2,4-dimethylimidazole monohydrate, C5H10N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","181","183","10.1515/ncrs-2020-0507","","","0.71073","MoKα","","0.0284","0.028","","","0.0816","0.0821","","","","","","1.12","","","","has coordinates","274070","2022-03-29","07:56:04",""
"8104917","8.2492","0.0006","7.2496","0.0005","9.2882","0.0007","90","","99.214","0.002","90","","548.3","0.07","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-dimethylimidazole","1,2-dimethylimidazole","","- C5 H8 N2 -","- C5 H8 N2 -","- C20 H32 N8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 1,2-dimethylimidazole, C5H8N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","185","186","10.1515/ncrs-2020-0509","","","0.71073","MoKα","","0.0501","0.0477","","","0.1377","0.14","","","","","","1.044","","","","has coordinates","274071","2022-03-29","08:00:35",""
"8104918","8.9884","0.0006","6.049","0.0004","12.129","0.0008","90","","95.4","0.002","90","","656.54","0.08","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-ammonio-4-aminobenzoate","3-ammonio-4-aminobenzoate","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 3-ammonio-4-aminobenzoate, C7H8N2O2 – a second polymorph","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","187","188","10.1515/ncrs-2020-0510","","","0.71073","MoKα","","0.044","0.034","","","0.0915","0.0978","","","","","","1.037","","","","has coordinates","274072","2022-03-29","08:07:42",""
"8104919","16.1956","0.0011","11.7856","0.0008","18.7814","0.0013","90","","90","","90","","3584.9","0.4","292","1","292","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H15 Cl N4 O5 S2 -","- C14 H15 Cl N4 O5 S2 -","- C112 H120 Cl8 N32 O40 S16 -","8","1","","Miao, Ming-zhi; Li, Ji","The crystal structure of 4-hydroxy-2,5-bis(1-methyl-1H-imidazol-3-ium-2-ylthio)-3,6-dioxocyclohexa-1,4-dienolate chloride monohydrate, C14H15N4O5S2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","189","191","10.1515/ncrs-2020-0501","","","0.71073","MoKα","","0.0558","0.0459","","","0.1166","0.1218","","","","","","1.025","","","","has coordinates","274073","2022-03-29","08:12:42",""
"8104920","5.6954","0.0003","10.0307","0.0006","20.4422","0.0014","90","","90","","90","","1167.84","0.12","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","butyrylferrocene","butyrylferrocene","","- C14 H16 Fe O -","- C14 H16 Fe O -","- C56 H64 Fe4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of butyrylferrocene, C14H16FeO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","193","195","10.1515/ncrs-2020-0505","","","0.71073","MoKα","","0.0352","0.0267","","","0.0537","0.0559","","","","","","1.009","","","","has coordinates","274074","2022-03-29","08:17:14",""
"8104921","10.0025","0.0005","18.8285","0.0009","11.2384","0.0006","90","","115.327","0.002","90","","1913.11","0.17","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","bi-1,1'-cyclopentane-1,1'-diol","bi-1,1'-cyclopentane-1,1'-diol","","- C10 H18 O2 -","- C10 H18 O2 -","- C80 H144 O16 -","8","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of bi-1,1′-cyclopentane-1,1′-diol, C10H18O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","197","199","10.1515/ncrs-2020-0511","","","0.71073","MoKα","","0.065","0.0596","","","0.1561","0.1606","","","","","","1.093","","","","has coordinates","274075","2022-03-29","08:21:50",""
"8104922","7.4423","0.0005","7.942","0.0005","11.6711","0.0008","96.667","0.003","95.65","0.003","100.999","0.003","667.42","0.08","200","2","200","2","","","","","","","","3","P -1","-P 1","2","2-<i>iso</i>-propylimidazole","2-<i>iso</i>-propylimidazole","","- C6 H10 N2 -","- C5.9985 H9.9965 N2 -","- C23.994 H39.986 N8 -","4","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-iso-propylimidazole, C6H10N2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","201","203","10.1515/ncrs-2020-0508","","","0.71073","MoKα","","0.0715","0.062","","","0.1578","0.1681","","","","","","1.061","","","","has coordinates,has disorder","274076","2022-03-29","08:25:21",""
"8104923","22.3832","0.0011","22.3832","0.0011","6.4522","0.0003","90","","90","","120","","2799.5","0.2","200","2","200","2","","","","","","","","4","R 3 :H","R 3","146","aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)","aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)","","- C45 H35 La O7 -","- C45 H34.9998 La O7 -","- C135 H104.999 La3 O21 -","3","0.333333","","Hickson, Matthew; Sephton, Abigail; Dugmore, Travis; Hosten, Eric C.; Betz, Richard","The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2 O,O′)-lanthanum(III), C45H35LaO7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","205","207","10.1515/ncrs-2020-0504","","","0.71073","MoKα","","0.0193","0.0192","","","0.0462","0.0462","","","","","","1.037","","","","has coordinates","274077","2022-03-29","08:28:47",""
"8104924","16.6493","0.0009","15.3005","0.0008","8.8554","0.0005","90","","99.746","0.006","90","","2223.3","0.2","100","0.12","100","0.12","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F6 N O3 -","- C24 H21 F6 N O3 -","- C96 H84 F24 N4 O12 -","4","1","","Zhang, Xiao-Fan; Wang, Hui-yun; Song, Jia; Liang, Lun-Hai; Xu, Yang-Rong; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3E,5E)-3,5-bis-4-methoxy-3-(trifluoromethyl)benzylidene)-1-methylpiperidin-4-one, C24H21F6NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","209","211","10.1515/ncrs-2020-0492","","","0.71073","MoKα","","0.0575","0.0444","","","0.1011","0.1094","","","","","","1.046","","","","has coordinates","274078","2022-03-29","08:32:00",""
"8104925","6.0044","0.0006","8.966","0.0011","18.0544","0.0018","90","","90","","90","","971.97","0.18","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-diazo-3,5-dichloro-2,4-dinitrocyclohexadiene-1-one","","- C6 Cl2 N4 O5 -","- C6 Cl2 N4 O5 -","- C24 Cl8 N16 O20 -","4","1","","Wang, Haifang","The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","213","214","10.1515/ncrs-2020-0491","","","0.71073","MoKα","","0.0911","0.0501","","","0.0826","0.0987","","","","","","1.115","","","","has coordinates","274079","2022-03-29","08:36:18",""
"8104926","9.2778","0.0018","9.8274","0.0016","14.444","0.003","99.748","0.006","91.33","0.007","114.197","0.006","1177.6","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 As N O2 Rh -","- C29 H23 As N O2 Rh -","- C58 H46 As2 N2 O4 Rh2 -","2","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","Crystal structure of carbonyl(2-methylquinolin-8-olato-κ2 N,O)(triphenylarsine-κAs)rhodium(I), C29H23AsNO2Rh","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","215","217","10.1515/ncrs-2020-0494","","","0.71073","MoKα","","0.0998","0.0552","","","0.0872","0.1005","","","","","","1.038","","","","has coordinates","274080","2022-03-29","08:41:38",""
"8104927","15.7241","0.0013","7.0223","0.0005","18.4613","0.0014","90","","100.329","0.004","90","","2005.4","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","","Luo, Jiahuan; Zhai, Shengxian; Han, Chuchu; Zhao, Hanwen","Crystal structure of (1aS,1a 1 S,2S)-4a-butoxy-1a,1a 1,2,4a,5,6-hexahydro-1H-cyclobuta[de]naphthalen-2-yl-4-nitrobenzoate, C22H25NO5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","219","221","10.1515/ncrs-2020-0496","","","0.71073","MoKα","","0.0674","0.0495","","","0.1413","0.1564","","","","","","1.019","","","","has coordinates","274081","2022-03-29","08:44:37",""
"8104928","9.1358","0.0005","9.6478","0.0006","12.4509","0.0007","92.303","0.002","106.281","0.002","99.137","0.002","1035.89","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 As N O3 Rh -","- C24 H19 As N O3 Rh -","- C48 H38 As2 N2 O6 Rh2 -","2","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Johan A.; Roodt, Andreas","Crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-k2 O,O′)(triphenylarsine-κAs)rhodium(I), C24H19AsNO3Rh","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","223","225","10.1515/ncrs-2020-0490","","","0.71073","MoKα","","0.0438","0.0336","","","0.0819","0.09","","","","","","1.04","","","","has coordinates","274082","2022-03-29","08:48:10",""
"8104929","21.787","0.004","6.7594","0.0011","18.143","0.003","90","","102.456","0.002","90","","2609","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Ba N12 O15 -","- C14 H24 Ba N12 O15 -","- C56 H96 Ba4 N48 O60 -","4","0.5","","Xie, Wei; Li, Rui; Wang, Chuan-Qi","Crystal structure of catena-poly[triqua-bis(μ 2-4-carboxy-2-(1H-tetrazol-1-yl)-1H-imidazole-5-carboxylato-k3 N,O:O′)barium(II)] tetrahydrate, C14H14BaN12O15","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","227","229","10.1515/ncrs-2020-0487","","","0.71073","MoKα","","0.0222","0.0209","","","0.0559","0.0567","","","","","","1.022","","","","has coordinates","274083","2022-03-29","08:51:09",""
"8104930","10.902","0.002","12.434","0.002","13.481","0.004","102.881","0.005","104.935","0.005","114.542","0.003","1488.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N6 O2 -","- C35 H32 N6 O2 -","- C70 H64 N12 O4 -","2","1","","Liu, Shuang-Shuang; Wu, Wei-Na; Wang, Yuan","Crystal structure of (E)-3′,6′-bis(ethylamino)-2-((quinoxalin-2-ylmethylene)amino)spiro[isoindoline-1,9′-xanthen]-3-one, C35H32N6O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","231","233","10.1515/ncrs-2020-0478","","","0.71073","MoKα","","0.0906","0.0511","","","0.1198","0.1429","","","","","","1.052","","","","has coordinates","274084","2022-03-29","08:53:49",""
"8104931","9.1186","0.0004","12.8031","0.0006","13.0111","0.0006","63.504","0.004","79.4","0.004","77.198","0.004","1319.34","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cl4 N4 O16 Pb2 -","- C52 H40 Cl4 N4 O16 Pb2 -","- C52 H40 Cl4 N4 O16 Pb2 -","1","0.5","","Tang, Zhiwei; Wen, Decai","Crystal structure of diaqua-bis(μ2-5-chloro-salicylato-κ3 O,O′:O′)-bis(5-chloro-salicylato-κ2 O,O′)-bis(1,10-phenanthroline-κ2 N,N′) dilead(II) – water (1/2), C52H36C14N4O14Pb2·2(H2O)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","235","237","10.1515/ncrs-2020-0473","","x-ray","0.71073","MoKα","","0.0438","0.0342","","","0.0523","0.0554","","","","","","1.025","","","","has coordinates","274085","2022-03-29","08:57:00",""
"8104932","13.628","0.0014","14.4801","0.0015","14.4962","0.0015","90","","97.586","0.002","90","","2835.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N3 O7 -","- C31 H29 N3 O7 -","- C124 H116 N12 O28 -","4","1","","Zhang, Ling; Wu, Wei-Na; Wang, Yuan","Crystal structure of (E)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-(pyrrole-2-ylmethyleneamino)-3′,6′-dihydroxylspiro[isoindoline-1,9′-xanthen]-3-one-methanol (1/1), C31H29N3O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","239","241","10.1515/ncrs-2020-0479","","","0.71073","MoKα","","0.088","0.0532","","","0.136","0.1569","","","","","","1.032","","","","has coordinates","274086","2022-03-29","09:00:40",""
"8104933","27.19","0.004","4.3317","0.0006","17.297","0.002","90","","90","","90","","2037.2","0.5","150","0.1","150","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C112 H72 N8 O16 -","8","2","","Wang, Li-Hua; Zhou, Xiao-Jing; Liu, Li-Li; Zhang, Ai-Ling; Tai, Xi-Shi","The crystal structure of 5H-dibenzo[b,e]azepine-6,11-dione, C14H9NO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","243","244","10.1515/ncrs-2020-0482","","x-ray","0.71073","MoKα","","0.0674","0.0524","","","0.103","0.1122","","","","","","1.021","","","","has coordinates","274087","2022-03-29","09:03:19",""
"8104934","17.1519","0.0013","13.981","0.0008","15.2299","0.0009","90","","123.031","0.007","90","","3061.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 F4 O2 -","- C19 H14 F4 O2 -","- C152 H112 F32 O16 -","8","1","","Luan, Ming-Zhu; Wang, Hui-Yun; Zhang, Mei; Song, Jia; Xu, Yang-Rong; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (E)-2-(4-fluoro-2-(trifluoromethyl)benzylidene)-7-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H14F4O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","245","247","10.1515/ncrs-2020-0484","","","0.71073","MoKα","","0.0517","0.041","","","0.0939","0.101","","","","","","1.029","","","","has coordinates","274097","2022-03-30","07:04:58",""
"8104935","9.605","0.0002","9.7531","0.0002","13.2788","0.0002","75.13","0.001","81.824","0.001","72.329","0.002","1142.75","0.04","294.45","0.1","294.45","0.1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide","","- C25 H20 N2 O2 Se2 -","- C25 H20 N2 O2 Se2 -","- C50 H40 N4 O4 Se4 -","2","1","","Wang, Lu-Yao; Wang, Qing; Zhang, Meng-Meng; Li, Ping-Ping; Guo, Xiao-Long","The crystal structure of N-(2-methoxy-4,5-bis[phenylselanyl]phenyl)picolinamide, C25H20N2O2Se2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","249","250","10.1515/ncrs-2020-0486","","x-ray","1.54184","CuKα","","0.0407","0.0393","","","0.108","0.1092","","","","","","1.039","","","","has coordinates","274098","2022-03-30","07:14:38",""
"8104936","32.932","0.003","5.849","0.0007","7.3606","0.0008","90","","90","","90","","1417.8","0.3","150","0.1","150","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br N3 O3 -","- C14 H14 Br N3 O3 -","- C56 H56 Br4 N12 O12 -","4","1","","Li-Hua, Wang; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Xi-Shi, Tai","The crystal structure of (E)-2-(5-bromo-2-hydroxybenzylidene)-N-phenylhydrazine-1- carboxamide monohydrate, C14H14BrN3O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","251","252","10.1515/ncrs-2020-0471","","x-ray","0.71073","MoKα","","0.0282","0.026","","","0.0541","0.0553","","","","","","1.029","","","","has coordinates","274099","2022-03-30","07:19:26",""
"8104937","7.9325","0.0009","13.8112","0.0016","13.4577","0.0015","90","","92.637","0.004","90","","1472.8","0.3","101","","101","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","fac-Tricarbonyl-(nitrato)-bis(pyridine-N)-rhenium","","- C13 H10 N3 O6 Re -","- C13 H10 N3 O6 Re -","- C52 H40 N12 O24 Re4 -","4","1","","Jacobs, Francois J. F.; Brink, Alice","Crystal structure of fac-tricarbonyl-(nitrato-k1 O)-bis(pyridine-κN)-rhenium, C13H10O6N3Re","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","253","255","10.1515/ncrs-2020-0475","","","0.71073","MoKα","","0.0291","0.0249","","","0.0552","0.0568","","","","","","1.08","","","","has coordinates","274100","2022-03-30","07:24:24",""
"8104938","10.591","0.005","10.833","0.005","12.503","0.006","73.69","0.007","88.569","0.007","60.856","0.006","1191.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H25 N3 O6 -","- C27 H25 N3 O6 -","- C54 H50 N6 O12 -","2","1","","Song, Yu-Fei; Wu, Wei-Na; Wang, Yuan","Crystal structure of (E)-2-(((1H-pyrrol-2-yl)methylene)amino)-3′,6′-dihydroxyspiro[isoindoline-1,9′-xanthen]-3-one — methanol (1/2), C27H25N3O6","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","257","258","10.1515/ncrs-2020-0480","","","0.71073","MoKα","","0.0884","0.0542","","","0.1483","0.1716","","","","","","1.032","","","","has coordinates","274101","2022-03-30","07:27:59",""
"8104939","8.0968","0.0007","16.6829","0.0017","5.3097","0.0005","90","","90","","90","","717.22","0.12","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C28 H32 N8 O6 -","2","0.5","","Xi-Shi, Tai; Xiao-Jing, Zhou; Li-Li, Liu; Ai-Ling, Zhang; Li-Hua, Wang","The crystal structure of 4-amino-N′-(4-aminobenzoyl)benzohydrazide monohydrate, C14H16N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","259","260","10.1515/ncrs-2020-0476","","","0.71073","MoKα","","0.0548","0.042","","","0.0759","0.0816","","","","","","1.011","","","","has coordinates","274102","2022-03-30","07:30:45",""
"8104940","15.8571","0.0011","7.6581","0.0005","16.9166","0.0012","90","","113.334","0.001","90","","1886.3","0.2","571","2","571","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N8 O6 S2 -","- C12 H20 N8 O6 S2 -","- C48 H80 N32 O24 S8 -","4","1","","Chen, Kun; Shi, Yanmei; Zhu, Xin","Crystal structure of bis(amino(carbamothioylamino)methaniminium) 5-hydroxyisophthalate monohydrate, C12H20N8O6S2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","261","262","10.1515/ncrs-2020-0472","","","0.71073","MoKα","","0.035","0.0317","","","0.1012","0.1053","","","","","","1.062","","","","has coordinates","274103","2022-03-30","07:33:40",""
"8104941","6.5211","0.0002","10.2467","0.0003","9.1436","0.0003","90","","94.1771","0.0011","90","","609.35","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(chloromethyl)pyridine","2-(chloromethyl)pyridine","","- C6 H6 Cl N -","- C6 H6 Cl N -","- C24 H24 Cl4 N4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","263","265","10.1515/ncrs-2020-0513","","","0.71073","MoKα","","0.0282","0.026","","","0.0663","0.068","","","","","","1.054","","","","has coordinates","274104","2022-03-30","07:36:25",""
"8104942","4.1704","0.0006","5.8242","0.0008","14.929","0.002","90","","97.315","0.005","90","","359.66","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-bromo-4-iodo-benzene","1-bromo-4-iodo-benzene","","- C6 H4 Br I -","- C6 H4 Br I -","- C12 H8 Br2 I2 -","2","0.5","","Hosten, Eric C.; Betz, Richard","The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","267","268","10.1515/ncrs-2020-0516","","","0.71073","MoKα","","0.0364","0.0303","","","0.0926","0.0982","","","","","","1.111","","","","has coordinates,has disorder","274105","2022-03-30","07:39:49",""
"8104943","6.9121","0.0004","26.97","0.0015","8.7204","0.0005","90","","106.152","0.003","90","","1561.48","0.16","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-dimethyl-4-nitro-phenol","2,6-dimethyl-4-nitro-phenol","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C64 H72 N8 O24 -","8","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-dimethyl-4-nitro-phenol, C8H9NO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","269","271","10.1515/ncrs-2020-0517","","","0.71073","MoKα","","0.0626","0.0486","","","0.131","0.1399","","","","","","1.045","","","","has coordinates","274106","2022-03-30","07:42:35",""
"8104944","5.2011","0.0004","7.4362","0.0004","24.1175","0.0015","90","","94.594","0.003","90","","929.78","0.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-chloropropionic acid","3-chloropropionic acid","","- C3 H5 Cl O2 -","- C3 H5 Cl O2 -","- C24 H40 Cl8 O16 -","8","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 3-chloropropionic acid, C3H5ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","273","275","10.1515/ncrs-2020-0518","","","0.71069","MoKα","","0.0398","0.0333","","","0.075","0.0795","","","","","","1.106","","","","has coordinates","274107","2022-03-30","07:45:55",""
"8104945","14.257","0.0006","7.925","0.0004","29.8796","0.0013","90","","90","","90","","3376","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2-(2-methoxyphenyl)acetic acid","2-(2-methoxyphenyl)acetic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C144 H160 O48 -","16","2","","Hosten, Eric C.; Betz, Richard","The crystal structure of 2-(2-methoxyphenyl)acetic acid, C9H10O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","277","279","10.1515/ncrs-2020-0519","","","0.71073","MoKα","","0.0658","0.0404","","","0.0941","0.105","","","","","","1.031","","","","has coordinates","274108","2022-03-30","07:49:05",""
"9017264","9.3933","","9.3933","","9.3933","","90","","90","","90","","828.809","","","","","","","","","","","","Pribram, Czech Republic","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Grimmite","- Bi0.01 Co1.932 Fe0.06 Ni Pb0.01 S4 -","- Bi0.08 Co15.456 Fe0.48 Ni8 Pb0.08 S32 -","- Bi0.08 Co15.456 Fe0.48 Ni8 Pb0.08 S32 -","","","","Skacha, P.; Sejkora, J.; Plasil, J.; Dolnicek, Z.; Ulmanova, J.","Grimmite, NiCo2S4, a new thiospinel from Pribram, Czech Republic","European Journal of Mineralogy","2021","33","","175","187","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:51",""
"9017735","3.1648","","3.1648","","3.1648","","90","","90","","90","","31.699","","","","","","","","","","","","Bol'shaya Pol'ya river valley, Russia","4","I m -3 m","-I 4 2 3","229","","","Tungsten","- Fe0.001 Mn0.001 Mo0.001 W0.997 -","- Fe0.002 Mn0.002 Mo0.002 W1.994 -","- Fe0.002 Mn0.002 Mo0.002 W1.994 -","","","","Mills, S. J.; Kartashov, P. M.; Kampf, A. R.; Rumsey, M. S.; Ma, C.; Stanley, C. J.; Spratt, J.; Rossman, G. R.; Novgorodova, M. I.","Native tungsten from the Bol'shaya Pol'ya river valley and Mt Neroyka, Russia","Mineralogical Magazine","2021","85","","76","81","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017736","9.2709","","9.5361","","13.2741","","90","","90.054","","90","","1173.54","","","","","","","","","","","","Radlin, Upper Silesia, Poland","5","C 1 2/c 1","-C 2yc","15","","","Novograblenovite","- Cl3 H16 Mg N O6 -","- Cl12 H64 Mg4 N4 O24 -","- Cl12 H64 Mg4 N4 O24 -","","","","Parafiniuk, J.; Stachowicz, M.; Wozniak, K.","Novograblenovite from Radlin, Upper Silesia, Poland and its relation to ‘redikortsevite’","Mineralogical Magazine","2021","85","","132","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017737","19.855","","17.6933","","7.7799","","90","","90","","90","","2733.08","","","","","","","","","","","","Cap Garonne, France","4","P n m a","-P 2ac 2n","62","","","Galeaclolusite","- Al6 As3 H33 O33 -","- Al6 As3 H33 O33 -","- Al24 As12 H132 O132 -","4","0.5","","Grey, I. E.; Favreau, G.; Mills, S. J.; Mumme, W. G.; Bougerol, C.; Brand, H. E. A.; Kampf, A. R.; MacRae, C. M.; Shanks, F.","Galeaclolusite, [Al6(AsO4)3(OH)9(H2O)4]*8H2O, a new bulachite-related mineral from Cap Garonne, France","Mineralogical Magazine","2021","85","","142","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017738","7.973","","7.973","","9.139","","90","","90","","90","","580.955","","","","","","","","","","","","Fedorova-Pana layered intrusion, Kola Peninsula, Russia","4","I 4/m m m","-I 4 2","139","","","Panskyite","- Ag2 Pb1.914 Pd9 S4 -","- Ag4 Pb3.828 Pd18 S8 -","- Ag4 Pb3.828 Pd18 S8 -","","","","Vymazalova, A.; Subbotin, V. V.; Laufek, F.; Savchenko, Y. E.; Stanley, C. J.; Gabov, D. A.; Plasil, J.","Panskyite, Pd9Ag2Pb2S4, a new platinum group mineral from the Southern Kievey ore occurrence of the Fedorova-Pana layered intrusion, Kola Peninsula, Russia","Mineralogical Magazine","2021","85","","161","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017739","7.3085","","7.3085","","5.3969","","90","","90","","90","","288.271","","","","","","","","","","","","Pribram, Czech Republic","6","P 4/m m m","-P 4 2","123","","","Hrabakite","- Co0.08 Fe0.08 Ni8.84 Pb0.961 S8 Sb1.039 -","- Co0.08 Fe0.08 Ni8.84 Pb0.961 S8 Sb1.039 -","- Co0.08 Fe0.08 Ni8.84 Pb0.961 S8 Sb1.039 -","","","","Sejkora, J.; Skacha, P.; Plasil, J.; Dolnicek, Z.; Ulmanova, J.","Hrabakite, Ni9PbSbS8, a new member of the hauchecornite group from Pribram, Czech Republic","Mineralogical Magazine","2021","85","","189","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017740","11.8405","","12.7836","","6.69165","","90","","112.425","","90","","936.282","","","","","","","","","","","","Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia","11","C 1 2/c 1","-C 2yc","15","","","Calciojohillerite","- Al0.05 As2.85 Ca0.7 Cu0.02 Fe0.25 K0.01 Mg2.65 Mn0.05 Na1.24 O12 P0.15 -","- Al0.05 As2.85 Ca0.7 Cu0.02 Fe0.25 K0.01 Mg2.65 Mn0.05 Na1.24 O12 P0.15 -","- Al0.2 As11.4 Ca2.8 Cu0.08 Fe K0.04 Mg10.6 Mn0.2 Na4.96 O48 P0.6 -","4","0.5","","Pekov, I. V.; Koshlyakova, N. N.; Agakhanov, A. A.; Zubkova, N. V.; Belakovskiy, D. I.; Vigasina, M. F.; Turchkova, A. G.; Sidorov, E. G.; Pushcharovsky, D. Y.","New arsenate minerals from the Arsenatnaya fumarole, Tolbachik volcano, Kamchatka, Russia. XV. Calciojohillerite, NaCaMgMg2(AsO4)3, a member of the alluaudite group","Mineralogical Magazine","2021","85","","215","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017741","6.73527","","9.57172","","6.68718","","110.176","","102.606","","83.206","","394.465","","","","","","","","","","","","Jakobsberg, Varmland, Sweden","5","P -1","-P 1","2","","","Walstromite","- Ba0.57 Ca2 O9 Pb0.43 Si3 -","- Ba1.14 Ca4 O18 Pb0.86 Si6 -","- Ba1.14 Ca4 O18 Pb0.86 Si6 -","","","","Holtstam, D.; Camara, F.; Karlsson, A.","Instalment of the margarosanite group, and data on walstromite-margarosanite solid solutions from the Jakobsberg Mn-Fe deposit, Varmland, Sweden","Mineralogical Magazine","2021","85","","224","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017742","15.728","","15.728","","22.004","","90","","90","","120","","4713.89","","","","","","","","","","","","Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","4","R 3 :H","R 3","146","","","Dobrovolskyite","- Ca2 Na8 O24 S6 -","- Ca18 Na72 O216 S54 -","- Ca18 Na72 O216 S54 -","","","","Shablinskii, A. P.; Filatov, S. K.; Krivivichev, S. V.; Vergasova L P. Moskaleva S V; Avdontseva, E. Y.; Knyazev, A. V.; Bubnova, R. S.","Dobrovolskyite, Na4Ca(SO4)3, a new fumarolic sulfate from the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia","Mineralogical Magazine","2021","85","","233","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017743","4.2492","","4.2492","","5.486","","90","","90","","120","","85.783","","","","","","","","","","","","Ledyanoy Creek placer, Galmoenan ultramafic complex, Koryak Highlands, Russia","4","P 63/m m c","-P 6c 2c","194","","","Kufahrite","- Pb0.83 Pt0.94 Rh0.06 Sb0.19 -","- Pb1.66 Pt1.88 Rh0.12 Sb0.38 -","- Pb1.66 Pt1.88 Rh0.12 Sb0.38 -","","","","Sidorov, E. G.; Kutyrev, A. V.; Zhitova, E. S.; Agakhanov, A. A.; Sandimirova, E. I.; Vymazalova, A.; Chubarov, V. M.; Zolotarev, A. A.","Kufahrite, PtPb, a new mineral from Ledyanoy Creek placer, Galmoenan ultramafic complex, Koryak Highlands, Russia","Mineralogical Magazine","2021","85","","254","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017772","14.866","","22.24","","10.394","","90","","90","","90","","3436.46","","","","30","","","","","","","","Uchucchacua, Oyon district, Catajambo, Lima Department, Peru","4","P n a 21","P 2c -2n","33","","","Spryite","- Ag24 As2 Ge S18 -","- Ag96 As8 Ge4 S72 -","- Ag96 As8 Ge4 S72 -","","","","Bindi, L.; Morana, M.","Twinning, superstructure and chemical ordering in spryite, Ag8(As3+0.50As5+0.50)S6, at ultra-low temperature: An X-ray single-crystal study Note: T = 30 K","Minerals","2021","11","","","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:21",""
"9017784","5.6062","","6.1294","","23.834","","90","","95.29","","90","","815.511","","","","","","","","","","","","Casualidad mine, Banos de Alhamilla, Almeria, Spain","6","P 1 21/c 1","-P 2ybc","14","","","Fehrite","- Cu4 H18 Mg0.672 O20 S2 Zn0.328 -","- Cu4 H18 Mg0.672 O20 S2 Zn0.328 -","- Cu8 H36 Mg1.344 O40 S4 Zn0.656 -","2","0.5","","Schluter, J.; Malcherek, T.; Mihailova, B.; Rewitzer, C.; Hochleitner, R.; Muller, D.; Gunther, A.","Fehrite, MgCu4(SO4)2(OH)6*6H2O, the magnesium analogue of ktenasite from the Casualidad mine near Banos de Alhamilla, Almeria, Spain","Neues Jahrbuch fur Mineralogie, Abhandlungen","2021","197","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017850","3.7325","","9.7649","","9.9902","","90","","90","","90","","364.118","","","","","","","","","","","","Aljorra, Spain","4","C m c m","-C 2c 2","63","","","","- Fe1.21 Mg0.19 O5 Ti1.6 -","- Fe4.84 Mg0.76 O20 Ti6.4 -","- Fe4.84 Mg0.76 O20 Ti6.4 -","","","","Kazheva, O. N.; Zubkova, N. V.; Schafer, C.; Chukanov, N. V.; Pekov, I. V.; Britvin, S. N.; Pushcharovsky, D. Y.","The pseudobrookite group: crystal chemical features of the armalcolite Fe2+ analogue","Doklady Earth Sciences","2021","497","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""
"9017871","6.697","","9.2986","","6.6501","","83.458","","76.226","","69.581","","376.722","","","","","","","","","","","","In a diamond from the Juina area, Mato Grosso State, Brazil","3","P -1","-P 1","2","","","Breyite","- Ca O3 Si -","- Ca6 O18 Si6 -","- Ca6 O18 Si6 -","","","","Brenker, F. E.; Nestola, F.; Brenker, L.; Peruzzo, L.; Harris, J. W.","Origin, properties, and structure of breyite: The second most abundant mineral inclusion in super-deep diamonds","American Mineralogist","2021","106","","38","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017872","12.8926","","12.4658","","10.9178","","90","","97.92","","90","","1737.93","","","","","","","","","","","","the Santa Ana mine, San Luis province, Argentina","8","P 1 21/n 1","-P 2yn","14","","","Zhanghuifenite","- Al1.62 Ca0.22 Fe2.72 Mg3.36 Mn6.3 Na5.6 O48 P12 -","- Al3.24 Ca0.44 Fe5.44 Mg6.72 Mn12.6 Na11.2 O96 P24 -","- Al3.24 Ca0.44 Fe5.44 Mg6.72 Mn12.6 Na11.2 O96 P24 -","","","","Yang, H.; Kobsch, A.; Gu, X.; Downs, R. T.; Xie, X.","Zhanghuifenite, Na3Mn2+4Mg2Al(PO4)6, a new mineral isostructural with bobfergusonite, from the Santa Ana mine, San Luis province, Argentina","American Mineralogist","2021","106","","1009","1015","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017875","10.741","","13.841","","11.079","","108.174","","99.186","","89.99","","1542.67","","","","","","","","","","","","Oktyabr'skii massif, Donetsk region, Ukraine","17","C -1","-C 1","2","","","Perraultite","- Al0.04 Ba1.16 Ca0.55 F2.62 Fe2.56 H3.38 K0.82 Mg0.08 Mn5.04 Na1.42 Nb0.32 O35.38 Rb0.06 Si8 Ti3.68 Zn0.16 Zr0.04 -","- Al0.04 Ba1.16 Ca0.55 F2.62 Fe2.56 H3.38 K0.82 Mg0.08 Mn5.04 Na1.42 Nb0.32 O35.38 Rb0.06 Si8 Ti3.68 Zn0.16 Zr0.04 -","- Al0.08 Ba2.32 Ca1.1 F5.24 Fe5.12 H6.76 K1.64 Mg0.16 Mn10.08 Na2.84 Nb0.64 O70.76 Rb0.12 Si16 Ti7.36 Zn0.32 Zr0.08 -","2","","","Sokolova, E.; Day, M. C.; Hawthorne, F. C.; Agakhanov, A. A.; Camara, F.; Uvarova, Y. A.; Della Ventura, G.","From structure topology to chemical composition. XXIX. Revision of the crystal structure of perraultite, NaBaMn4Ti2(Si2O7)2O2(OH)2F, a seidozerite-supergroup TS-block mineral from the Oktyabr'skii massiff, Ukraine, and discreditation of surkhobite","The Canadian Mineralogist","2021","59","","1","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017876","9.3667","","9.3667","","7.6173","","90","","90","","120","","578.769","","","","","","","","","","","","Keystone mine, Boulder County, Colorado, USA","7","P 63","P 6c","173","","","Keystoneite","- Fe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3 -","- Fe0.47 H7.62 Mg0.79 Mn0.1 Ni1.25 O12.81 Te3 -","- Fe0.94 H15.24 Mg1.58 Mn0.2 Ni2.5 O25.62 Te6 -","2","0.333333","","Missen, O. P.; Back, M. E.; Mills, S. J.; Roberts, A. C.; LePage, Y.; Pinch, W. W.; Mandarino, J. A.","Crystal chemistry of zemannite-type structures: III. Keystoneite, the Ni2±analogue of zemannite, and ferrotellurite discredited","The Canadian Mineralogist","2021","59","","355","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017877","9.1386","","6.2566","","12.0043","","90.019","","91.643","","89.9","","686.081","","","","","","","","","","","","N'Chwaning III mine, Kalahari manganese field, South Africa","7","C 1","C 1","1","","","Taniajacoite","- Ca0.81 Fe0.1 H8 Mn1.9 O17 Si4 Sr1.19 -","- Ca0.81 Fe0.1 H8 Mn1.9 O17 Si4 Sr1.19 -","- Ca1.62 Fe0.2 H16 Mn3.8 O34 Si8 Sr2.38 -","2","","","Yang, H.; Gu, X.; Cairncross, B.; Downs, R. T.; Evans, S. H.","Taniajacoite and strontioruizite, two new minerals isostructural with ruizite from the N'Chwaning III mine, Kalahari manganese field, South Africa","The Canadian Mineralogist","2021","59","","431","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017878","9.1575","","6.2857","","12.0431","","90","","91.744","","90","","692.895","","","","","","","","","","","","N'Chwaning III mine, Kalahari manganese field, South Africa","7","C 1 2 1","C 2y","5","","","Strontioruizite","- Ca0.41 Fe0.05 H8 Mn1.95 O17 Si4 Sr1.59 -","- Ca0.82 Fe0.1 H16 Mn3.9 O34 Si8 Sr3.18 -","- Ca0.82 Fe0.1 H16 Mn3.9 O34 Si8 Sr3.18 -","","","","Yang, H.; Gu, X.; Cairncross, B.; Downs, R. T.; Evans, S. H.","Taniajacoite and strontioruizite, two new minerals isostructural with ruizite from the N'Chwaning III mine, Kalahari manganese field, South Africa","The Canadian Mineralogist","2021","59","","431","444","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017879","12.7156","","12.3808","","10.9347","","90","","97.332","","90","","1707.37","","","","","","","","","","","","Victory mine, Custer County, South Dakota, USA","9","P 1 21/n 1","-P 2yn","14","","","Ferrobobfergusonite","- Al2.46 Ba0.8 Ca0.28 Fe8.58 Mg0.88 Mn1.8 Na2.64 O48 P12 -","- Al4.92 Ba1.6 Ca0.56 Fe17.16 Mg1.76 Mn3.6 Na5.28 O96 P24 -","- Al4.92 Ba1.6 Ca0.56 Fe17.16 Mg1.76 Mn3.6 Na5.28 O96 P24 -","","","","Yang, H.; Yong, T.; Downs, R. T.","Ferrobobfergusonite, []Na2Fe2+5Fe3+Al(PO4)6, a new mineral of the bobfergusonite group from the Victory mine, Custer County, South Dakota, USA","The Canadian Mineralogist","2021","59","","617","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:27",""
"9017880","3.1111","","3.1111","","22.6816","","90","","90","","120","","190.122","","","","","","","","","","","","79 mine, Gila County, Arizona, USA","6","R -3 m :H","-R 3 2""","166","","","Liudongshengite","- C0.216 H2.996 Cr0.43 Mg0.028 O3.146 Zn0.542 -","- C0.216 H2.996 Cr0.43 Mg0.028 O3.146 Zn0.542 -","- C0.648 H8.988 Cr1.29 Mg0.084 O9.438 Zn1.626 -","3","0.0833333","","Yang, H.; Gibbs, R. B.; Schwenk, C.; Xie, X.; Gu, X.; Downs, R. T.; Evans, S. H.","Liudongshengite, Zn4Cr2(OH)12(CO3)*3H2O, a new mineral of the hydrotalcite supergroup, from the 79 mine, Gila County, Arizona, USA","The Canadian Mineralogist","2021","59","","763","769","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017897","5.802","","2.905","","8.411","","90","","90","","90","","141.766","","","","","","","","","","","","Suizhou L6 chondrite","4","P m m a","-P 2a 2a","51","","","Poirierite","- Fe0.038 Mg1.962 O4 Si -","- Fe0.076 Mg3.924 O8 Si2 -","- Fe0.076 Mg3.924 O8 Si2 -","","","","Tomioka, N.; Bindi, L.; Okuchi, T.; Miyahara, M.; Iitaka, T.; Li, Z.; Kawatsu, T.; Xie, X.; Purevjav, N.; Tani, R.; Kodama, Y.","Poirierite, a dense metastable polymorph of magnesium iron silicate in shocked meteorites","Communications Earth & Environment","2021","2","","","16","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:28",""
"9017904","28.866","","10.707","","17.425","","90","","90","","90","","5385.51","","","","","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","6","C m c m","-C 2c 2","63","","","Tiettaite","- Fe H14.1 K4 Na10 O50.3 Si16 -","- Fe H14.1 K4 Na10 O50.3 Si16 -","- Fe4 H56.4 K16 Na40 O201.2 Si64 -","4","0.25","","Panikorovskii, T. L.; Pekov, I. V.; Krzhizhanovskaya, M. G.; Yakovenchuk, V. N.; Britven, S. N.; Gurzhiy, V. V.; Bocharov, V. N.; Yapaskurt, V. O.; Krivovichev, S. V.","Tiettaite K4Na12Fe3+Si16O41(OH)4·2H2O: A mineral with a novel type of microporous heteropolyhedral framework","Crystallography Reports","2021","66","","76","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""